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Cytochrome c oxidase subunit 3

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A023Q4K2, Species HUMAN (Homo sapiens, Human), Gene COX3, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.2	Low	89.1	Confident	231 Å²	231	119.3 Å²	119.3	100%	1.138	62%	0.624	S	S	*	*				0	124.4	0	-68.3	-175.7	178.1	0	0	107.6
2	T	77.6	Confident	89.7	Confident	138 Å²	138	122.1 Å²	122.1	85%	0.847	63%	0.628	S	S	*	*			trans	-97.9	-13	-173.4	46.6	0	0	0	0	113.7
3	H	83.8	Confident	90.3	Very high	163 Å²	163	123.4 Å²	123.4	76%	0.755	65%	0.649	S	S	*	*	S	Bend	trans	-116.2	140.4	178.8	-71.1	-77.2	0	0	0	111.2
4	Q	88.9	Confident	90.9	Very high	118 Å²	118	117.9 Å²	117.9	55%	0.551	63%	0.626	S	S	*	*			trans	-70.8	137	173.8	67.3	-177.7	17.7	0	0	110.9
5	S	92.7	Very high	91.4	Very high	122 Å²	122	114.7 Å²	114.7	85%	0.853	61%	0.614	S	S	*	*			trans	-108.7	7.1	177.6	55.6	0	0	0	0	113.3
6	H	95.5	Very high	91.8	Very high	85 Å²	85	109.3 Å²	109.3	39%	0.394	58%	0.583	S	S	.	*	S	Bend	trans	-114	158	175.6	61.6	58	0	0	0	111.6	Y8	H6-Y8 VanDerWaalsContact C-N 3.35Å; H6-Y8 HydrophobicContact CB-CD2 4.23Å; H6-Y8 PolarHBondContact ND1-N 3.39Å; H6-Y8 PolarHBondContact ND1-O 3.5Å; H6-Y8 PolarHBondContact O-N 3.49Å
7	A	96.4	Very high	92.2	Very high	45 Å²	45	107.1 Å²	107.1	37%	0.372	58%	0.575	S	S	.	*	S	Bend	trans	-85.5	-0.8	-178.7	0	0	0	0	0	114.5	T72 P74	A7-T72 HydrophobicContact CB-CG2 4.44Å; A7-T72 WeakPolarHBondContact O-CG2 3.11Å; A7-T72 PolarHBondContact O-OG1 3.08Å; A7-P74 HydrophobicContact CB-CG 4.04Å
8	Y	97.4	Very high	92.6	Very high	149 Å²	149	107.2 Å²	107.2	58%	0.584	58%	0.576	S	S	*	*	S	Bend	trans	-73.3	155	179.1	-64.2	-71.1	0	0	0	113.1	H6 P74	H6-Y8 VanDerWaalsContact C-N 3.35Å; H6-Y8 HydrophobicContact CB-CD2 4.23Å; H6-Y8 PolarHBondContact ND1-N 3.39Å; H6-Y8 PolarHBondContact ND1-O 3.5Å; H6-Y8 PolarHBondContact O-N 3.49Å; Y8-P74 HydrophobicContact CE1-CB 4.4Å
9	H	97.3	Very high	92.9	Very high	40 Å²	40	104.2 Å²	104.2	19%	0.185	56%	0.561	C	S	.	*			trans	-92	118.2	179	-179.5	-158.8	0	0	0	110.9	V11 E64 H70 V75	H9-V11 PolarHBondContact O-N 3.42Å; H9-E64 IonicContact CE1-OE2 2.88Å; H9-E64 PolarHBondContact CE1-OE2 3.12Å; H9-H70 HydrophobicContact CB-CB 4.35Å; H9-H70 AromaticContact CD2-CD2 3.87Å; H9-H70 AromaticContact CD2-CG 3.64Å; H9-H70 AromaticContact NE2-CD2 3.46Å; H9-H70 PolarHBondContact NE2-CD2 3.02Å; H9-H70 AromaticContact NE2-CG 3.68Å; H9-V75 HydrophobicContact CB-CG2 4.12Å
10	M	96.9	Very high	93.1	Very high	132 Å²	132	99.9 Å²	99.9	65%	0.65	54%	0.542	S	S	*	.			trans	-90.4	92	171.1	-60.2	-58.5	-68.9	0	0	109.5
11	V	97	Very high	93.4	Very high	89 Å²	89	98 Å²	98	54%	0.539	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-63	138.7	-177.9	-173.1	0	0	0	0	110.3	H9	H9-V11 PolarHBondContact O-N 3.42Å
12	K	96.7	Very high	95.4	Very high	153 Å²	153	92.6 Å²	92.6	67%	0.665	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-69.7	155.9	176.3	-67.7	-178.4	-177.6	177.1	0	111	S14	K12-S14 PolarHBondContact O-N 3.47Å
13	P	98.1	Very high	96.4	Very high	139 Å²	139	86 Å²	86	90%	0.903	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-51.7	128.4	171	-26.4	35.2	0	0	0	111.1
14	S	98	Very high	97.1	Very high	46 Å²	46	80.5 Å²	80.5	32%	0.322	45%	0.453	S	S	.	.			trans	-130.5	139	-175	172.9	0	0	0	0	110.5	K12 W16 P17	K12-S14 PolarHBondContact O-N 3.47Å; S14-W16 VanDerWaalsContact C-N 3.31Å; S14-W16 VanDerWaalsContact OG-CG 3.24Å; S14-W16 PolarHBondContact OG-N 3.03Å; S14-W16 PolarHBondContact OG-NE1 3.42Å; S14-P17 WeakPolarHBondContact O-CD 3.44Å
15	P	98.1	Very high	97.6	Very high	70 Å²	70	79.6 Å²	79.6	46%	0.455	45%	0.452	S	S	.	.	S	Bend	trans	-78.3	-14.1	176.7	32.7	-35	0	0	0	113.2	P17 L18 T19	P15-P17 VanDerWaalsContact C-CD 3.5Å; P15-L18 WeakPolarHBondContact O-CB 3.46Å; P15-L18 PolarHBondContact O-N 2.65Å; P15-T19 PolarHBondContact O-N 3.3Å
16	W	98.4	Very high	97.8	Very high	29 Å²	29	75.6 Å²	75.6	11%	0.11	42%	0.42	C	S	.	.	H	α-helix	trans	-61.2	-36	-169.9	-45.5	136.6	0	0	0	115	S14 L18 T19 G20 T53 Q56 W57 D60	S14-W16 VanDerWaalsContact C-N 3.31Å; S14-W16 VanDerWaalsContact OG-CG 3.24Å; S14-W16 PolarHBondContact OG-N 3.03Å; S14-W16 PolarHBondContact OG-NE1 3.42Å; W16-L18 VanDerWaalsContact C-N 3.31Å; W16-L18 PolarHBondContact O-N 2.93Å; W16-T19 WeakPolarHBondContact CA-OG1 3.5Å; W16-T19 PolarHBondContact O-N 3.44Å; W16-T19 PolarHBondContact O-OG1 3.46Å; W16-G20 PolarHBondContact O-N 3.32Å; W16-T53 HydrophobicContact CB-CG2 4.16Å; W16-T53 WeakPolarHBondContact O-CG2 3.48Å; W16-Q56 HydrophobicContact CD2-CB 4.06Å; W16-Q56 HydrophobicContact CE3-CB 3.97Å; W16-Q56 HydrophobicContact CH2-CB 3.57Å; W16-Q56 VanDerWaalsContact CH2-CD 3.49Å; W16-Q56 HydrophobicContact CH2-CG 3.95Å; W16-Q56 HydrophobicContact CZ2-CB 3.63Å; W16-Q56 HydrophobicContact CZ2-CG 4.38Å; W16-Q56 HydrophobicContact CZ3-CB 3.72Å; W16-Q56 VanDerWaalsContact CZ3-CD 3.46Å; W16-Q56 HydrophobicContact CZ3-CG 4.16Å; W16-Q56 VanDerWaalsContact CZ3-OE1 3.25Å; W16-W57 HydrophobicContact CB-CB 3.98Å; W16-W57 HydrophobicContact CB-CD2 3.59Å; W16-W57 HydrophobicContact CB-CE3 3.46Å; W16-W57 VanDerWaalsContact CB-CE3 3.46Å; W16-W57 HydrophobicContact CB-CG 3.84Å; W16-W57 HydrophobicContact CB-CZ3 4.13Å; W16-W57 AromaticContact CD1-CG 3.82Å; W16-W57 HydrophobicContact CG-CB 3.93Å; W16-W57 HydrophobicContact CG-CD2 4.34Å; W16-W57 HydrophobicContact CG-CG 4.08Å; W16-D60 PolarHBondContact NE1-OD2 2.94Å
17	P	98.6	Very high	98	Very high	71 Å²	71	73.5 Å²	73.5	46%	0.461	41%	0.411	S	S	.	.	H	α-helix	trans	-60.5	-39.9	173	-25	35.4	0	0	0	112.9	S14 P15 A21 W57	S14-P17 WeakPolarHBondContact O-CD 3.44Å; P15-P17 VanDerWaalsContact C-CD 3.5Å; P17-A21 WeakPolarHBondContact O-CB 3.44Å; P17-A21 PolarHBondContact O-N 3.24Å; P17-W57 HydrophobicContact CB-CH2 4.27Å; P17-W57 HydrophobicContact CG-CH2 3.84Å; P17-W57 HydrophobicContact CG-CZ2 4.2Å; P17-W57 HydrophobicContact CG-CZ3 4.41Å
18	L	98.4	Very high	98.1	Very high	110 Å²	110	75.7 Å²	75.7	58%	0.576	42%	0.42	S	S	*	.	H	α-helix	trans	-70.2	-46.4	179	-176.4	65.1	0	0	0	111	P15 W16 G20 A21 F22	P15-L18 WeakPolarHBondContact O-CB 3.46Å; P15-L18 PolarHBondContact O-N 2.65Å; W16-L18 VanDerWaalsContact C-N 3.31Å; W16-L18 PolarHBondContact O-N 2.93Å; L18-G20 VanDerWaalsContact C-N 3.29Å; L18-G20 PolarHBondContact O-N 2.95Å; L18-A21 PolarHBondContact O-N 3.33Å; L18-F22 HydrophobicContact CD1-CD2 3.98Å; L18-F22 HydrophobicContact CD1-CE2 3.59Å; L18-F22 HydrophobicContact CD2-CE2 4.42Å; L18-F22 HydrophobicContact CG-CD2 3.95Å; L18-F22 HydrophobicContact CG-CE2 3.84Å; L18-F22 VanDerWaalsContact O-CD2 3.3Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 PolarHBondContact O-N 3.05Å
19	T	98.4	Very high	98.1	Very high	49 Å²	49	70.5 Å²	70.5	30%	0.301	41%	0.405	S	S	.	.	H	α-helix	trans	-66.2	-33.8	179.3	62.7	0	0	0	0	111.9	P15 W16 F22 S23 T53	P15-T19 PolarHBondContact O-N 3.3Å; W16-T19 WeakPolarHBondContact CA-OG1 3.5Å; W16-T19 PolarHBondContact O-N 3.44Å; W16-T19 PolarHBondContact O-OG1 3.46Å; T19-F22 PolarHBondContact O-N 2.98Å; T19-S23 PolarHBondContact O-N 3.14Å; T19-T53 WeakPolarHBondContact CB-OG1 3.48Å; T19-T53 WeakPolarHBondContact OG1-CG2 3.41Å; T19-T53 PolarHBondContact OG1-OG1 3.4Å
20	G	98.4	Very high	98.2	Very high	18 Å²	18	68.6 Å²	68.6	19%	0.186	40%	0.397	C	S	.	.	H	α-helix	trans	-68.5	-39.3	173.3	0	0	0	0	0	113.3	W16 L18 S23 A24	W16-G20 PolarHBondContact O-N 3.32Å; L18-G20 VanDerWaalsContact C-N 3.29Å; L18-G20 PolarHBondContact O-N 2.95Å; G20-S23 WeakPolarHBondContact CA-OG 3.5Å; G20-S23 PolarHBondContact O-N 3.42Å; G20-S23 PolarHBondContact O-OG 3.34Å; G20-A24 PolarHBondContact O-N 2.98Å
21	A	98.6	Very high	98.3	Very high	62 Å²	62	65.6 Å²	65.6	51%	0.512	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-42.7	173.7	0	0	0	0	0	111.5	P17 L18 A24 L25	P17-A21 WeakPolarHBondContact O-CB 3.44Å; P17-A21 PolarHBondContact O-N 3.24Å; L18-A21 PolarHBondContact O-N 3.33Å; A21-A24 PolarHBondContact O-N 3.43Å; A21-L25 PolarHBondContact O-N 3.45Å; A21-L25 VanDerWaalsContact O-N 3.14Å
22	F	98.3	Very high	98.3	Very high	117 Å²	117	63.6 Å²	63.6	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-39.5	174.6	-82.4	-66.2	0	0	0	112.6	L18 T19 A24 L25 L26	L18-F22 HydrophobicContact CD1-CD2 3.98Å; L18-F22 HydrophobicContact CD1-CE2 3.59Å; L18-F22 HydrophobicContact CD2-CE2 4.42Å; L18-F22 HydrophobicContact CG-CD2 3.95Å; L18-F22 HydrophobicContact CG-CE2 3.84Å; L18-F22 VanDerWaalsContact O-CD2 3.3Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 PolarHBondContact O-N 3.05Å; T19-F22 PolarHBondContact O-N 2.98Å; F22-A24 VanDerWaalsContact C-N 3.3Å; F22-A24 PolarHBondContact O-N 3.22Å; F22-L25 HydrophobicContact CD1-CD2 4.42Å; F22-L25 PolarHBondContact O-N 3.1Å; F22-L26 VanDerWaalsContact O-CG 3.27Å; F22-L26 WeakPolarHBondContact O-CG 3.21Å; F22-L26 PolarHBondContact O-N 3.47Å
23	S	98.5	Very high	98.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-39	176.8	68.7	0	0	0	0	111.7	T19 G20 L26 M27 T49 N50	T19-S23 PolarHBondContact O-N 3.14Å; G20-S23 WeakPolarHBondContact CA-OG 3.5Å; G20-S23 PolarHBondContact O-N 3.42Å; G20-S23 PolarHBondContact O-OG 3.34Å; S23-L26 PolarHBondContact O-N 2.89Å; S23-M27 WeakPolarHBondContact O-CB 3.35Å; S23-M27 VanDerWaalsContact O-CG 3.31Å; S23-M27 WeakPolarHBondContact O-CG 3.39Å; S23-M27 PolarHBondContact O-N 3.25Å; S23-T49 WeakPolarHBondContact CB-OG1 3.35Å; S23-N50 PolarHBondContact OG-OD1 2.79Å
24	A	98.6	Very high	98.5	Very high	46 Å²	46	57.7 Å²	57.7	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-43.1	174.1	0	0	0	0	0	112.5	G20 A21 F22 M27 T28	G20-A24 PolarHBondContact O-N 2.98Å; A21-A24 PolarHBondContact O-N 3.43Å; F22-A24 VanDerWaalsContact C-N 3.3Å; F22-A24 PolarHBondContact O-N 3.22Å; A24-M27 PolarHBondContact O-N 3.25Å; A24-T28 WeakPolarHBondContact O-CB 3.48Å; A24-T28 WeakPolarHBondContact O-CG2 3.28Å; A24-T28 PolarHBondContact O-N 2.95Å; A24-T28 PolarHBondContact O-OG1 3.38Å
25	L	98.6	Very high	98.5	Very high	100 Å²	100	61.7 Å²	61.7	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-46.3	174	176.3	63.5	0	0	0	111.5	A21 F22 T28 S29	A21-L25 PolarHBondContact O-N 3.45Å; A21-L25 VanDerWaalsContact O-N 3.14Å; F22-L25 HydrophobicContact CD1-CD2 4.42Å; F22-L25 PolarHBondContact O-N 3.1Å; L25-T28 PolarHBondContact O-OG1 3.26Å; L25-T28 VanDerWaalsContact O-OG1 3.1Å; L25-S29 WeakPolarHBondContact O-CB 3.46Å; L25-S29 PolarHBondContact O-N 3.4Å; L25-S29 PolarHBondContact O-OG 3.13Å
26	L	98.6	Very high	98.5	Very high	38 Å²	38	65 Å²	65	20%	0.199	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-40.5	179.5	-67.9	173.6	0	0	0	112.2	F22 S23 S29 G30 L42 L45	F22-L26 VanDerWaalsContact O-CG 3.27Å; F22-L26 WeakPolarHBondContact O-CG 3.21Å; F22-L26 PolarHBondContact O-N 3.47Å; S23-L26 PolarHBondContact O-N 2.89Å; L26-S29 PolarHBondContact O-OG 3.2Å; L26-G30 VanDerWaalsContact O-CA 3.26Å; L26-G30 WeakPolarHBondContact O-CA 3.44Å; L26-G30 PolarHBondContact O-N 2.96Å; L26-L42 HydrophobicContact CD2-CD1 3.54Å; L26-L42 HydrophobicContact CD2-CG 4.3Å; L26-L45 HydrophobicContact CD1-CD2 4.36Å; L26-L45 HydrophobicContact CD1-CG 4.25Å
27	M	98.6	Very high	98.5	Very high	40 Å²	40	70.5 Å²	70.5	20%	0.197	38%	0.381	C	S	.	.	H	α-helix	trans	-67.1	-46	177.7	-72	-174.5	-62.5	0	0	111.9	S23 A24 G30 L31 L47 N50	S23-M27 WeakPolarHBondContact O-CB 3.35Å; S23-M27 VanDerWaalsContact O-CG 3.31Å; S23-M27 WeakPolarHBondContact O-CG 3.39Å; S23-M27 PolarHBondContact O-N 3.25Å; A24-M27 PolarHBondContact O-N 3.25Å; M27-G30 PolarHBondContact O-N 3.34Å; M27-L31 WeakPolarHBondContact O-CG 3.39Å; M27-L31 PolarHBondContact O-N 3.43Å; M27-L47 HydrophobicContact CG-CD2 4.5Å; M27-L47 HydrophobicContact SD-CD2 3.88Å; M27-N50 HydrophobicContact CE-CB 3.96Å; M27-N50 HydrophobicContact SD-CB 3.95Å
28	T	98.6	Very high	98.4	Very high	92 Å²	92	75.1 Å²	75.1	56%	0.564	40%	0.396	S	S	*	.	H	α-helix	trans	-68.2	-47.9	-178.4	48.6	0	0	0	0	112.2	A24 L25 G30 L31 A32	A24-T28 WeakPolarHBondContact O-CB 3.48Å; A24-T28 WeakPolarHBondContact O-CG2 3.28Å; A24-T28 PolarHBondContact O-N 2.95Å; A24-T28 PolarHBondContact O-OG1 3.38Å; L25-T28 PolarHBondContact O-OG1 3.26Å; L25-T28 VanDerWaalsContact O-OG1 3.1Å; T28-G30 VanDerWaalsContact C-N 3.29Å; T28-G30 PolarHBondContact O-N 3.29Å; T28-L31 PolarHBondContact O-N 2.95Å; T28-A32 PolarHBondContact O-N 3.25Å
29	S	98.4	Very high	98.4	Very high	39 Å²	39	71.6 Å²	71.6	27%	0.273	38%	0.38	S	S	.	.	H	α-helix	trans	-65.7	-33.1	172.5	59.1	0	0	0	0	112.1	L25 L26 A32 M33 L42	L25-S29 WeakPolarHBondContact O-CB 3.46Å; L25-S29 PolarHBondContact O-N 3.4Å; L25-S29 PolarHBondContact O-OG 3.13Å; L26-S29 PolarHBondContact O-OG 3.2Å; S29-A32 PolarHBondContact O-N 3.41Å; S29-M33 WeakPolarHBondContact O-CB 3.49Å; S29-M33 VanDerWaalsContact O-CG 3.31Å; S29-M33 WeakPolarHBondContact O-CG 3.43Å; S29-M33 PolarHBondContact O-N 2.94Å; S29-L42 VanDerWaalsContact OG-CD2 3.32Å; S29-L42 WeakPolarHBondContact OG-CD2 3.26Å
30	G	98.6	Very high	98.4	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-65.1	-39.6	174.9	0	0	0	0	0	113.5	L26 M27 T28 M33 W34	L26-G30 VanDerWaalsContact O-CA 3.26Å; L26-G30 WeakPolarHBondContact O-CA 3.44Å; L26-G30 PolarHBondContact O-N 2.96Å; M27-G30 PolarHBondContact O-N 3.34Å; T28-G30 VanDerWaalsContact C-N 3.29Å; T28-G30 PolarHBondContact O-N 3.29Å; G30-M33 PolarHBondContact O-N 2.89Å; G30-W34 WeakPolarHBondContact O-CB 3.44Å; G30-W34 PolarHBondContact O-N 2.89Å
31	L	98.5	Very high	98.4	Very high	70 Å²	70	77.9 Å²	77.9	37%	0.366	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-43.9	171.7	-76.7	172.7	0	0	0	111.3	M27 T28 M33 W34 F35 L43	M27-L31 WeakPolarHBondContact O-CG 3.39Å; M27-L31 PolarHBondContact O-N 3.43Å; T28-L31 PolarHBondContact O-N 2.95Å; L31-M33 VanDerWaalsContact C-N 3.33Å; L31-M33 PolarHBondContact O-N 3.42Å; L31-W34 HydrophobicContact CD2-CE3 3.97Å; L31-W34 HydrophobicContact CD2-CZ3 4.32Å; L31-W34 PolarHBondContact O-N 3.05Å; L31-F35 HydrophobicContact CB-CE2 4.45Å; L31-F35 HydrophobicContact CD2-CE2 4.47Å; L31-F35 HydrophobicContact CD2-CZ 4.38Å; L31-F35 WeakPolarHBondContact O-CD2 3.41Å; L31-F35 WeakPolarHBondContact O-CG 3.31Å; L31-F35 PolarHBondContact O-N 3.22Å; L31-L43 HydrophobicContact CD2-CD1 4.1Å; L31-L43 HydrophobicContact CD2-CD2 3.95Å; L31-L43 HydrophobicContact CG-CD1 4Å
32	A	98.4	Very high	98.4	Very high	46 Å²	46	77.2 Å²	77.2	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-61.5	-41.5	175	0	0	0	0	0	111.9	T28 S29 W34 H36	T28-A32 PolarHBondContact O-N 3.25Å; S29-A32 PolarHBondContact O-N 3.41Å; A32-W34 VanDerWaalsContact C-N 3.34Å; A32-H36 WeakPolarHBondContact O-CB 3.35Å; A32-H36 PolarHBondContact O-CD2 3.25Å; A32-H36 PolarHBondContact O-N 2.72Å
33	M	98.5	Very high	98.4	Very high	71 Å²	71	72.7 Å²	72.7	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-38.5	174.8	-74.8	-67.1	-72.6	0	0	112.5	S29 G30 L31 F37 H38 S39 L42	S29-M33 WeakPolarHBondContact O-CB 3.49Å; S29-M33 VanDerWaalsContact O-CG 3.31Å; S29-M33 WeakPolarHBondContact O-CG 3.43Å; S29-M33 PolarHBondContact O-N 2.94Å; G30-M33 PolarHBondContact O-N 2.89Å; L31-M33 VanDerWaalsContact C-N 3.33Å; L31-M33 PolarHBondContact O-N 3.42Å; M33-F37 HydrophobicContact CE-CB 4.4Å; M33-F37 CarbonylContact O-C 3.55Å; M33-F37 VanDerWaalsContact O-C 3.28Å; M33-F37 VanDerWaalsContact O-CA 3.26Å; M33-F37 WeakPolarHBondContact O-CA 3.43Å; M33-F37 WeakPolarHBondContact O-CB 3.3Å; M33-F37 PolarHBondContact O-N 3.05Å; M33-F37 HydrophobicContact SD-CB 4.44Å; M33-F37 HydrophobicContact SD-CD2 3.69Å; M33-F37 HydrophobicContact SD-CE2 4.24Å; M33-F37 HydrophobicContact SD-CG 4.24Å; M33-H38 PolarHBondContact O-N 3.35Å; M33-S39 CarbonylContact C-O 3.51Å; M33-S39 PolarHBondContact O-N 3.47Å; M33-L42 HydrophobicContact CG-CD2 4.09Å
34	W	98.6	Very high	98.4	Very high	98 Å²	98	78.4 Å²	78.4	37%	0.371	41%	0.407	S	S	.	.	H	α-helix	trans	-67	-50.9	177	176.9	34	0	0	0	111.3	G30 L31 A32 H36 H38 S39 M40 L43	G30-W34 WeakPolarHBondContact O-CB 3.44Å; G30-W34 PolarHBondContact O-N 2.89Å; L31-W34 HydrophobicContact CD2-CE3 3.97Å; L31-W34 HydrophobicContact CD2-CZ3 4.32Å; L31-W34 PolarHBondContact O-N 3.05Å; A32-W34 VanDerWaalsContact C-N 3.34Å; W34-H36 PolarHBondContact O-N 3.45Å; W34-H38 VanDerWaalsContact O-CA 3.3Å; W34-H38 WeakPolarHBondContact O-CA 3.37Å; W34-H38 PolarHBondContact O-N 2.95Å; W34-H38 VanDerWaalsContact O-N 3.07Å; W34-S39 WeakPolarHBondContact CA-O 3.39Å; W34-S39 PolarHBondContact N-O 2.88Å; W34-M40 HydrophobicContact CD2-CE 4.21Å; W34-M40 HydrophobicContact CG-CE 4.41Å; W34-M40 HydrophobicContact CG-CG 3.96Å; W34-M40 HydrophobicContact CZ2-CE 3.71Å; W34-L43 HydrophobicContact CE3-CD2 4.13Å
35	F	98.4	Very high	98.4	Very high	129 Å²	129	80.3 Å²	80.3	57%	0.566	41%	0.41	S	S	*	.	H	α-helix	trans	-69	-33.8	-176	-65.7	-34.5	0	0	0	114.2	L31	L31-F35 HydrophobicContact CB-CE2 4.45Å; L31-F35 HydrophobicContact CD2-CE2 4.47Å; L31-F35 HydrophobicContact CD2-CZ 4.38Å; L31-F35 WeakPolarHBondContact O-CD2 3.41Å; L31-F35 WeakPolarHBondContact O-CG 3.31Å; L31-F35 PolarHBondContact O-N 3.22Å
36	H	98.5	Very high	98.4	Very high	141 Å²	141	75.5 Å²	75.5	65%	0.653	39%	0.385	S	S	*	.	H	α-helix	trans	-103.3	-26	-175.5	-65	-65.9	0	0	0	114.1	A32 W34	A32-H36 WeakPolarHBondContact O-CB 3.35Å; A32-H36 PolarHBondContact O-CD2 3.25Å; A32-H36 PolarHBondContact O-N 2.72Å; W34-H36 PolarHBondContact O-N 3.45Å
37	F	98.1	Very high	98.4	Very high	144 Å²	144	77.4 Å²	77.4	63%	0.632	40%	0.395	S	S	*	.	H	α-helix	trans	-125.8	8.5	-173.3	-55.8	-85	0	0	0	113.3	M33 S39	M33-F37 HydrophobicContact CE-CB 4.4Å; M33-F37 CarbonylContact O-C 3.55Å; M33-F37 VanDerWaalsContact O-C 3.28Å; M33-F37 VanDerWaalsContact O-CA 3.26Å; M33-F37 WeakPolarHBondContact O-CA 3.43Å; M33-F37 WeakPolarHBondContact O-CB 3.3Å; M33-F37 PolarHBondContact O-N 3.05Å; M33-F37 HydrophobicContact SD-CB 4.44Å; M33-F37 HydrophobicContact SD-CD2 3.69Å; M33-F37 HydrophobicContact SD-CE2 4.24Å; M33-F37 HydrophobicContact SD-CG 4.24Å; F37-S39 PolarHBondContact O-N 3.03Å
38	H	97.6	Very high	98.4	Very high	168 Å²	168	80.1 Å²	80.1	78%	0.778	41%	0.41	S	S	*	.			trans	56	24.1	175.8	-61.6	70	0	0	0	114.2	M33 W34	M33-H38 PolarHBondContact O-N 3.35Å; W34-H38 VanDerWaalsContact O-CA 3.3Å; W34-H38 WeakPolarHBondContact O-CA 3.37Å; W34-H38 PolarHBondContact O-N 2.95Å; W34-H38 VanDerWaalsContact O-N 3.07Å
39	S	98.1	Very high	98.4	Very high	35 Å²	35	77.6 Å²	77.6	25%	0.245	39%	0.394	C	S	.	.			trans	-113	119.2	-179	-177.5	0	0	0	0	111.2	M33 W34 F37 T41	M33-S39 CarbonylContact C-O 3.51Å; M33-S39 PolarHBondContact O-N 3.47Å; W34-S39 WeakPolarHBondContact CA-O 3.39Å; W34-S39 PolarHBondContact N-O 2.88Å; F37-S39 PolarHBondContact O-N 3.03Å; S39-T41 PolarHBondContact OG-OG1 2.75Å; S39-T41 VanDerWaalsContact OG-OG1 3.12Å
40	M	98.1	Very high	98.4	Very high	96 Å²	96	77.7 Å²	77.7	47%	0.473	39%	0.392	S	S	.	.			trans	-93.7	-3.5	177.7	-65.8	179.4	176.3	0	0	113.5	W34 L42 L43 M44	W34-M40 HydrophobicContact CD2-CE 4.21Å; W34-M40 HydrophobicContact CG-CE 4.41Å; W34-M40 HydrophobicContact CG-CG 3.96Å; W34-M40 HydrophobicContact CZ2-CE 3.71Å; M40-L42 VanDerWaalsContact C-N 3.32Å; M40-L42 PolarHBondContact O-N 3.36Å; M40-L43 PolarHBondContact O-N 3Å; M40-L43 VanDerWaalsContact O-N 3.16Å; M40-M44 HydrophobicContact CB-CG 4.39Å; M40-M44 WeakPolarHBondContact O-CG 3.38Å; M40-M44 PolarHBondContact O-N 2.93Å
41	T	98.3	Very high	98.4	Very high	104 Å²	104	81.1 Å²	81.1	64%	0.638	41%	0.413	S	S	*	.	H	α-helix	trans	-57.8	-45.2	-171.6	51.9	0	0	0	0	112.4	S39 M44 L45	S39-T41 PolarHBondContact OG-OG1 2.75Å; S39-T41 VanDerWaalsContact OG-OG1 3.12Å; T41-M44 PolarHBondContact O-N 2.94Å; T41-L45 PolarHBondContact O-N 3.31Å; T41-L45 VanDerWaalsContact O-N 3.08Å
42	L	98.1	Very high	98.4	Very high	48 Å²	48	81.7 Å²	81.7	25%	0.251	42%	0.416	S	S	.	.	H	α-helix	trans	-68.7	-39.1	179.9	-165.9	66.6	0	0	0	112.1	L26 S29 M33 M40 L45 G46	L26-L42 HydrophobicContact CD2-CD1 3.54Å; L26-L42 HydrophobicContact CD2-CG 4.3Å; S29-L42 VanDerWaalsContact OG-CD2 3.32Å; S29-L42 WeakPolarHBondContact OG-CD2 3.26Å; M33-L42 HydrophobicContact CG-CD2 4.09Å; M40-L42 VanDerWaalsContact C-N 3.32Å; M40-L42 PolarHBondContact O-N 3.36Å; L42-L45 PolarHBondContact O-N 2.95Å; L42-G46 PolarHBondContact O-N 3.22Å
43	L	98.5	Very high	98.4	Very high	22 Å²	22	79.8 Å²	79.8	12%	0.115	40%	0.4	C	S	.	.	H	α-helix	trans	-62.2	-47	175.3	179	59.3	0	0	0	111.3	L31 W34 M40 L45 G46 L47	L31-L43 HydrophobicContact CD2-CD1 4.1Å; L31-L43 HydrophobicContact CD2-CD2 3.95Å; L31-L43 HydrophobicContact CG-CD1 4Å; W34-L43 HydrophobicContact CE3-CD2 4.13Å; M40-L43 PolarHBondContact O-N 3Å; M40-L43 VanDerWaalsContact O-N 3.16Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 3.43Å; L43-G46 PolarHBondContact O-N 3.32Å; L43-G46 VanDerWaalsContact O-N 3.16Å; L43-L47 HydrophobicContact CD1-CD1 4.32Å; L43-L47 HydrophobicContact CD1-CG 4.34Å; L43-L47 HydrophobicContact CG-CD1 4.13Å; L43-L47 WeakPolarHBondContact O-CG 3.37Å; L43-L47 PolarHBondContact O-N 3.44Å
44	M	98.6	Very high	98.4	Very high	119 Å²	119	79.5 Å²	79.5	59%	0.586	40%	0.398	S	S	*	.	H	α-helix	trans	-62.9	-39.4	178.9	-66.6	-58.5	-75.3	0	0	111.9	M40 T41 L47 L48	M40-M44 HydrophobicContact CB-CG 4.39Å; M40-M44 WeakPolarHBondContact O-CG 3.38Å; M40-M44 PolarHBondContact O-N 2.93Å; T41-M44 PolarHBondContact O-N 2.94Å; M44-L47 PolarHBondContact O-N 2.98Å; M44-L47 HydrophobicContact SD-CD1 4.35Å; M44-L48 WeakPolarHBondContact O-CB 3.39Å; M44-L48 PolarHBondContact O-N 3.27Å
45	L	98.4	Very high	98.4	Very high	86 Å²	86	82.3 Å²	82.3	45%	0.45	41%	0.41	S	S	.	.	H	α-helix	trans	-65.1	-41.2	173.5	-176.8	63.9	0	0	0	111.9	L26 T41 L42 L43 L48 T49	L26-L45 HydrophobicContact CD1-CD2 4.36Å; L26-L45 HydrophobicContact CD1-CG 4.25Å; T41-L45 PolarHBondContact O-N 3.31Å; T41-L45 VanDerWaalsContact O-N 3.08Å; L42-L45 PolarHBondContact O-N 2.95Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 2.86Å; L45-T49 HydrophobicContact CD1-CG2 4.31Å; L45-T49 WeakPolarHBondContact O-CB 3.46Å; L45-T49 WeakPolarHBondContact O-CG2 3.22Å; L45-T49 PolarHBondContact O-N 3.19Å; L45-T49 PolarHBondContact O-OG1 2.86Å
46	G	98.6	Very high	98.4	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-59.8	-47.4	174.2	0	0	0	0	0	112.4	L42 L43 L48 T49 N50	L42-G46 PolarHBondContact O-N 3.22Å; L43-G46 PolarHBondContact O-N 3.32Å; L43-G46 VanDerWaalsContact O-N 3.16Å; G46-L48 PolarHBondContact O-N 2.98Å; G46-T49 PolarHBondContact O-N 3.26Å; G46-T49 PolarHBondContact O-OG1 2.99Å; G46-N50 VanDerWaalsContact O-CB 3.23Å; G46-N50 WeakPolarHBondContact O-CB 3.46Å; G46-N50 PolarHBondContact O-N 3.43Å
47	L	98.5	Very high	98.4	Very high	78 Å²	78	77.2 Å²	77.2	41%	0.408	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-42.3	177.4	-70.2	169.3	0	0	0	112.1	M27 L43 M44 N50 T51	M27-L47 HydrophobicContact CG-CD2 4.5Å; M27-L47 HydrophobicContact SD-CD2 3.88Å; L43-L47 HydrophobicContact CD1-CD1 4.32Å; L43-L47 HydrophobicContact CD1-CG 4.34Å; L43-L47 HydrophobicContact CG-CD1 4.13Å; L43-L47 WeakPolarHBondContact O-CG 3.37Å; L43-L47 PolarHBondContact O-N 3.44Å; M44-L47 PolarHBondContact O-N 2.98Å; M44-L47 HydrophobicContact SD-CD1 4.35Å; L47-N50 PolarHBondContact O-N 3.06Å; L47-T51 WeakPolarHBondContact O-CG2 3.41Å; L47-T51 PolarHBondContact O-N 2.96Å; L47-T51 PolarHBondContact O-OG1 3.27Å
48	L	98.5	Very high	98.4	Very high	97 Å²	97	78.2 Å²	78.2	51%	0.508	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-48.8	175.8	179.1	65	0	0	0	111.8	M44 L45 G46 N50 T51 L52	M44-L48 WeakPolarHBondContact O-CB 3.39Å; M44-L48 PolarHBondContact O-N 3.27Å; L45-L48 PolarHBondContact O-N 2.86Å; G46-L48 PolarHBondContact O-N 2.98Å; L48-N50 VanDerWaalsContact C-N 3.3Å; L48-N50 PolarHBondContact O-N 3Å; L48-T51 WeakPolarHBondContact CA-OG1 3.43Å; L48-T51 PolarHBondContact O-N 3.04Å; L48-T51 PolarHBondContact O-OG1 3Å; L48-L52 HydrophobicContact CD1-CD1 4.33Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.3Å; L48-L52 PolarHBondContact O-N 3.42Å
49	T	98.4	Very high	98.5	Very high	39 Å²	39	74 Å²	74	24%	0.239	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-33.2	180	51.5	0	0	0	0	112.2	S23 L45 G46 T53	S23-T49 WeakPolarHBondContact CB-OG1 3.35Å; L45-T49 HydrophobicContact CD1-CG2 4.31Å; L45-T49 WeakPolarHBondContact O-CB 3.46Å; L45-T49 WeakPolarHBondContact O-CG2 3.22Å; L45-T49 PolarHBondContact O-N 3.19Å; L45-T49 PolarHBondContact O-OG1 2.86Å; G46-T49 PolarHBondContact O-N 3.26Å; G46-T49 PolarHBondContact O-OG1 2.99Å; T49-T53 WeakPolarHBondContact O-CB 3.47Å; T49-T53 PolarHBondContact O-N 2.89Å; T49-T53 PolarHBondContact O-OG1 3.02Å
50	N	98.7	Very high	98.5	Very high	40 Å²	40	73.6 Å²	73.6	21%	0.214	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-49.7	174.1	-167.4	58.7	0	0	0	111.7	S23 M27 G46 L47 L48 L52 T53 M54	S23-N50 PolarHBondContact OG-OD1 2.79Å; M27-N50 HydrophobicContact CE-CB 3.96Å; M27-N50 HydrophobicContact SD-CB 3.95Å; G46-N50 VanDerWaalsContact O-CB 3.23Å; G46-N50 WeakPolarHBondContact O-CB 3.46Å; G46-N50 PolarHBondContact O-N 3.43Å; L47-N50 PolarHBondContact O-N 3.06Å; L48-N50 VanDerWaalsContact C-N 3.3Å; L48-N50 PolarHBondContact O-N 3Å; N50-L52 PolarHBondContact O-N 3.38Å; N50-T53 PolarHBondContact O-N 3.07Å; N50-M54 VanDerWaalsContact ND2-CE 3.34Å; N50-M54 WeakPolarHBondContact ND2-CE 3.47Å; N50-M54 WeakPolarHBondContact O-CG 3.49Å; N50-M54 PolarHBondContact O-N 3.21Å
51	T	98.4	Very high	98.5	Very high	73 Å²	73	71.3 Å²	71.3	45%	0.448	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-41.6	178.5	48.9	0	0	0	0	112.1	L47 L48 M54 Y55	L47-T51 WeakPolarHBondContact O-CG2 3.41Å; L47-T51 PolarHBondContact O-N 2.96Å; L47-T51 PolarHBondContact O-OG1 3.27Å; L48-T51 WeakPolarHBondContact CA-OG1 3.43Å; L48-T51 PolarHBondContact O-N 3.04Å; L48-T51 PolarHBondContact O-OG1 3Å; T51-M54 HydrophobicContact CG2-CE 4.18Å; T51-M54 PolarHBondContact O-N 2.87Å; T51-Y55 WeakPolarHBondContact O-CB 3.48Å; T51-Y55 PolarHBondContact O-N 3.45Å
52	L	98.5	Very high	98.5	Very high	82 Å²	82	67.6 Å²	67.6	43%	0.429	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-44.2	173.3	-73	174.8	0	0	0	112.1	L48 N50 Y55 Q56	L48-L52 HydrophobicContact CD1-CD1 4.33Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.3Å; L48-L52 PolarHBondContact O-N 3.42Å; N50-L52 PolarHBondContact O-N 3.38Å; L52-Y55 PolarHBondContact O-N 3.06Å; L52-Q56 VanDerWaalsContact C-NE2 3.33Å; L52-Q56 WeakPolarHBondContact O-CB 3.45Å; L52-Q56 WeakPolarHBondContact O-CG 3.46Å; L52-Q56 PolarHBondContact O-N 3.06Å; L52-Q56 PolarHBondContact O-NE2 3.18Å
53	T	98.8	Very high	98.6	Very high	6 Å²	6	70.2 Å²	70.2	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-50.4	178.5	-62.4	0	0	0	0	110.8	W16 T19 T49 N50 Y55 Q56 W57	W16-T53 HydrophobicContact CB-CG2 4.16Å; W16-T53 WeakPolarHBondContact O-CG2 3.48Å; T19-T53 WeakPolarHBondContact CB-OG1 3.48Å; T19-T53 WeakPolarHBondContact OG1-CG2 3.41Å; T19-T53 PolarHBondContact OG1-OG1 3.4Å; T49-T53 WeakPolarHBondContact O-CB 3.47Å; T49-T53 PolarHBondContact O-N 2.89Å; T49-T53 PolarHBondContact O-OG1 3.02Å; N50-T53 PolarHBondContact O-N 3.07Å; T53-Y55 PolarHBondContact O-N 3.42Å; T53-Q56 PolarHBondContact O-N 3.07Å; T53-W57 HydrophobicContact CG2-CE3 4.16Å; T53-W57 VanDerWaalsContact O-CB 3.22Å; T53-W57 WeakPolarHBondContact O-CB 3.43Å; T53-W57 PolarHBondContact O-N 3.43Å
54	M	98.5	Very high	98.6	Very high	65 Å²	65	70.8 Å²	70.8	32%	0.32	33%	0.332	S	S	.	.	H	α-helix	trans	-57.6	-46.3	177.8	-73.9	-171.1	-60.5	0	0	112.1	N50 T51 W58	N50-M54 VanDerWaalsContact ND2-CE 3.34Å; N50-M54 WeakPolarHBondContact ND2-CE 3.47Å; N50-M54 WeakPolarHBondContact O-CG 3.49Å; N50-M54 PolarHBondContact O-N 3.21Å; T51-M54 HydrophobicContact CG2-CE 4.18Å; T51-M54 PolarHBondContact O-N 2.87Å; M54-W58 HydrophobicContact CB-CE3 3.9Å; M54-W58 HydrophobicContact CB-CH2 4.06Å; M54-W58 HydrophobicContact CB-CZ3 3.57Å; M54-W58 HydrophobicContact CG-CH2 4.02Å; M54-W58 HydrophobicContact CG-CZ3 4.06Å; M54-W58 WeakPolarHBondContact O-CB 3.38Å; M54-W58 VanDerWaalsContact O-CE3 3.29Å; M54-W58 PolarHBondContact O-N 3.17Å; M54-W58 HydrophobicContact SD-CH2 3.76Å; M54-W58 HydrophobicContact SD-CZ3 4.03Å
55	Y	98.5	Very high	98.5	Very high	157 Å²	157	65.6 Å²	65.6	62%	0.616	31%	0.308	S	S	*	.	H	α-helix	trans	-59.1	-50.8	177.6	171	-108.6	0	0	0	112.2	T51 L52 T53 R59	T51-Y55 WeakPolarHBondContact O-CB 3.48Å; T51-Y55 PolarHBondContact O-N 3.45Å; L52-Y55 PolarHBondContact O-N 3.06Å; T53-Y55 PolarHBondContact O-N 3.42Å; Y55-R59 WeakPolarHBondContact O-CB 3.46Å; Y55-R59 PolarHBondContact O-N 3.17Å
56	Q	98.6	Very high	98.5	Very high	53 Å²	53	63.9 Å²	63.9	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-69.6	-38.5	-176.5	-70.9	164.2	97.2	0	0	112	W16 L52 T53 R59 D60	W16-Q56 HydrophobicContact CD2-CB 4.06Å; W16-Q56 HydrophobicContact CE3-CB 3.97Å; W16-Q56 HydrophobicContact CH2-CB 3.57Å; W16-Q56 VanDerWaalsContact CH2-CD 3.49Å; W16-Q56 HydrophobicContact CH2-CG 3.95Å; W16-Q56 HydrophobicContact CZ2-CB 3.63Å; W16-Q56 HydrophobicContact CZ2-CG 4.38Å; W16-Q56 HydrophobicContact CZ3-CB 3.72Å; W16-Q56 VanDerWaalsContact CZ3-CD 3.46Å; W16-Q56 HydrophobicContact CZ3-CG 4.16Å; W16-Q56 VanDerWaalsContact CZ3-OE1 3.25Å; L52-Q56 VanDerWaalsContact C-NE2 3.33Å; L52-Q56 WeakPolarHBondContact O-CB 3.45Å; L52-Q56 WeakPolarHBondContact O-CG 3.46Å; L52-Q56 PolarHBondContact O-N 3.06Å; L52-Q56 PolarHBondContact O-NE2 3.18Å; T53-Q56 PolarHBondContact O-N 3.07Å; Q56-R59 WeakPolarHBondContact O-CB 3.46Å; Q56-D60 PolarHBondContact O-N 2.93Å
57	W	98.8	Very high	98.5	Very high	109 Å²	109	70.8 Å²	70.8	41%	0.413	33%	0.328	S	S	.	.	H	α-helix	trans	-65.1	-51.6	178.3	-161.7	-20.6	0	0	0	111.2	W16 P17 T53 R59 D60 V61	W16-W57 HydrophobicContact CB-CB 3.98Å; W16-W57 HydrophobicContact CB-CD2 3.59Å; W16-W57 HydrophobicContact CB-CE3 3.46Å; W16-W57 VanDerWaalsContact CB-CE3 3.46Å; W16-W57 HydrophobicContact CB-CG 3.84Å; W16-W57 HydrophobicContact CB-CZ3 4.13Å; W16-W57 AromaticContact CD1-CG 3.82Å; W16-W57 HydrophobicContact CG-CB 3.93Å; W16-W57 HydrophobicContact CG-CD2 4.34Å; W16-W57 HydrophobicContact CG-CG 4.08Å; P17-W57 HydrophobicContact CB-CH2 4.27Å; P17-W57 HydrophobicContact CG-CH2 3.84Å; P17-W57 HydrophobicContact CG-CZ2 4.2Å; P17-W57 HydrophobicContact CG-CZ3 4.41Å; T53-W57 HydrophobicContact CG2-CE3 4.16Å; T53-W57 VanDerWaalsContact O-CB 3.22Å; T53-W57 WeakPolarHBondContact O-CB 3.43Å; T53-W57 PolarHBondContact O-N 3.43Å; W57-R59 VanDerWaalsContact C-N 3.3Å; W57-R59 PolarHBondContact O-N 3.16Å; W57-D60 PolarHBondContact O-N 3.38Å; W57-V61 PolarHBondContact O-N 3.27Å
58	W	98.6	Very high	98.5	Very high	165 Å²	165	71.6 Å²	71.6	63%	0.625	33%	0.33	S	S	*	.	H	α-helix	trans	-69.5	-27.7	179.4	-69.3	-41.2	0	0	0	113.7	M54 D60 T62	M54-W58 HydrophobicContact CB-CE3 3.9Å; M54-W58 HydrophobicContact CB-CH2 4.06Å; M54-W58 HydrophobicContact CB-CZ3 3.57Å; M54-W58 HydrophobicContact CG-CH2 4.02Å; M54-W58 HydrophobicContact CG-CZ3 4.06Å; M54-W58 WeakPolarHBondContact O-CB 3.38Å; M54-W58 VanDerWaalsContact O-CE3 3.29Å; M54-W58 PolarHBondContact O-N 3.17Å; M54-W58 HydrophobicContact SD-CH2 3.76Å; M54-W58 HydrophobicContact SD-CZ3 4.03Å; W58-D60 VanDerWaalsContact C-N 3.34Å; W58-T62 PolarHBondContact O-N 3.29Å; W58-T62 PolarHBondContact O-OG1 3.36Å
59	R	98.6	Very high	98.4	Very high	79 Å²	79	69.5 Å²	69.5	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-46.1	167.6	180	-158.2	70.8	-171.3	-3.2	110.8	Y55 Q56 W57 T62 R63	Y55-R59 WeakPolarHBondContact O-CB 3.46Å; Y55-R59 PolarHBondContact O-N 3.17Å; Q56-R59 WeakPolarHBondContact O-CB 3.46Å; W57-R59 VanDerWaalsContact C-N 3.3Å; W57-R59 PolarHBondContact O-N 3.16Å; R59-T62 WeakPolarHBondContact O-CB 3.26Å; R59-T62 PolarHBondContact O-N 3.31Å; R59-R63 VanDerWaalsContact NE-CZ 3.27Å; R59-R63 VanDerWaalsContact NE-NH1 3.16Å; R59-R63 VanDerWaalsContact NH2-NH1 3.2Å; R59-R63 WeakPolarHBondContact O-CG 3.34Å; R59-R63 PolarHBondContact O-N 3.28Å
60	D	98.7	Very high	98.4	Very high	28 Å²	28	70.7 Å²	70.7	15%	0.15	34%	0.335	C	S	.	.	H	α-helix	trans	-68.8	-39.6	-179.5	-68.6	-11.1	0	0	0	111.8	W16 Q56 W57 W58 T62 R63 E64	W16-D60 PolarHBondContact NE1-OD2 2.94Å; Q56-D60 PolarHBondContact O-N 2.93Å; W57-D60 PolarHBondContact O-N 3.38Å; W58-D60 VanDerWaalsContact C-N 3.34Å; D60-T62 VanDerWaalsContact C-N 3.28Å; D60-T62 PolarHBondContact O-N 2.91Å; D60-R63 WeakPolarHBondContact O-CA 3.43Å; D60-R63 WeakPolarHBondContact O-CB 3.4Å; D60-R63 PolarHBondContact O-N 3.23Å; D60-R63 IonicContact OD1-CZ 3.52Å; D60-R63 IonicContact OD1-NE 3.72Å; D60-R63 IonicContact OD1-NH1 4Å; D60-R63 PolarHBondContact OD1-NH1 3.46Å; D60-E64 WeakPolarHBondContact O-CB 3.5Å; D60-E64 VanDerWaalsContact O-CG 3.28Å; D60-E64 WeakPolarHBondContact O-CG 3.46Å; D60-E64 PolarHBondContact O-N 3.21Å
61	V	98.7	Very high	98.4	Very high	48 Å²	48	69.9 Å²	69.9	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-41.9	170.8	174.7	0	0	0	0	111.3	W57 R63 E64 S65	W57-V61 PolarHBondContact O-N 3.27Å; V61-R63 VanDerWaalsContact C-N 3.31Å; V61-R63 PolarHBondContact O-N 3.3Å; V61-E64 PolarHBondContact O-N 3.48Å; V61-S65 WeakPolarHBondContact O-CB 3.41Å; V61-S65 PolarHBondContact O-N 3.21Å; V61-S65 PolarHBondContact O-OG 2.92Å
62	T	98.5	Very high	98.4	Very high	26 Å²	26	68.3 Å²	68.3	16%	0.16	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-37.1	175.6	-58.7	0	0	0	0	111.6	W58 R59 D60 S65 T66	W58-T62 PolarHBondContact O-N 3.29Å; W58-T62 PolarHBondContact O-OG1 3.36Å; R59-T62 WeakPolarHBondContact O-CB 3.26Å; R59-T62 PolarHBondContact O-N 3.31Å; D60-T62 VanDerWaalsContact C-N 3.28Å; D60-T62 PolarHBondContact O-N 2.91Å; T62-S65 PolarHBondContact O-OG 3.15Å; T62-T66 VanDerWaalsContact O-CB 3.3Å; T62-T66 WeakPolarHBondContact O-CB 3.36Å; T62-T66 PolarHBondContact O-N 3.09Å
63	R	98.6	Very high	98.3	Very high	103 Å²	103	69.2 Å²	69.2	39%	0.389	33%	0.331	S	S	.	.	I	π-helix	trans	-67	-47.3	176.6	-68.7	165.6	170.9	179.4	-8.4	111.9	R59 D60 V61 S65 Y67 Q68	R59-R63 VanDerWaalsContact NE-CZ 3.27Å; R59-R63 VanDerWaalsContact NE-NH1 3.16Å; R59-R63 VanDerWaalsContact NH2-NH1 3.2Å; R59-R63 WeakPolarHBondContact O-CG 3.34Å; R59-R63 PolarHBondContact O-N 3.28Å; D60-R63 WeakPolarHBondContact O-CA 3.43Å; D60-R63 WeakPolarHBondContact O-CB 3.4Å; D60-R63 PolarHBondContact O-N 3.23Å; D60-R63 IonicContact OD1-CZ 3.52Å; D60-R63 IonicContact OD1-NE 3.72Å; D60-R63 IonicContact OD1-NH1 4Å; D60-R63 PolarHBondContact OD1-NH1 3.46Å; V61-R63 VanDerWaalsContact C-N 3.31Å; V61-R63 PolarHBondContact O-N 3.3Å; R63-S65 VanDerWaalsContact C-N 3.27Å; R63-S65 PolarHBondContact O-N 2.92Å; R63-Y67 HydrophobicContact CB-CD2 4.02Å; R63-Y67 HydrophobicContact CG-CD2 3.84Å; R63-Y67 HydrophobicContact CG-CE2 4.09Å; R63-Y67 PolarHBondContact O-N 3.14Å; R63-Q68 PolarHBondContact O-N 2.74Å
64	E	98.6	Very high	98.3	Very high	33 Å²	33	71.7 Å²	71.7	15%	0.154	35%	0.347	C	S	.	.	I	π-helix	trans	-60.9	-38.3	178.8	-70.1	164.5	179.6	0	0	111.3	H9 D60 V61 G69 H70	H9-E64 IonicContact CE1-OE2 2.88Å; H9-E64 PolarHBondContact CE1-OE2 3.12Å; D60-E64 WeakPolarHBondContact O-CB 3.5Å; D60-E64 VanDerWaalsContact O-CG 3.28Å; D60-E64 WeakPolarHBondContact O-CG 3.46Å; D60-E64 PolarHBondContact O-N 3.21Å; V61-E64 PolarHBondContact O-N 3.48Å; E64-G69 PolarHBondContact O-N 3.43Å; E64-H70 WeakPolarHBondContact O-CB 3.5Å; E64-H70 PolarHBondContact O-N 3.25Å
65	S	98.1	Very high	98.3	Very high	11 Å²	11	69.6 Å²	69.6	8%	0.077	34%	0.337	C	S	.	.	I	π-helix	trans	-77.6	-60.5	177.8	73	0	0	0	0	112.8	V61 T62 R63 G69 H71	V61-S65 WeakPolarHBondContact O-CB 3.41Å; V61-S65 PolarHBondContact O-N 3.21Å; V61-S65 PolarHBondContact O-OG 2.92Å; T62-S65 PolarHBondContact O-OG 3.15Å; R63-S65 VanDerWaalsContact C-N 3.27Å; R63-S65 PolarHBondContact O-N 2.92Å; S65-G69 WeakPolarHBondContact O-CA 3.36Å; S65-G69 PolarHBondContact O-N 3.34Å; S65-H71 VanDerWaalsContact CB-CE1 3.44Å; S65-H71 WeakPolarHBondContact CB-CE1 3.35Å; S65-H71 VanDerWaalsContact CB-CG 3.47Å; S65-H71 WeakPolarHBondContact CB-ND1 3.18Å
66	T	98	Very high	98.3	Very high	50 Å²	50	63.1 Å²	63.1	31%	0.307	31%	0.313	S	S	.	.	I	π-helix	trans	-85.3	-38.4	-163.5	-63	0	0	0	0	111.8	T62 H226	T62-T66 VanDerWaalsContact O-CB 3.3Å; T62-T66 WeakPolarHBondContact O-CB 3.36Å; T62-T66 PolarHBondContact O-N 3.09Å; T66-H226 HydrophobicContact CG2-CB 4.07Å
67	Y	97.9	Very high	98.3	Very high	144 Å²	144	66.1 Å²	66.1	57%	0.565	33%	0.325	S	S	*	.	I	π-helix	trans	-97.5	-29.6	-175.9	-50.9	-50.5	0	0	0	113.1	R63 H226	R63-Y67 HydrophobicContact CB-CD2 4.02Å; R63-Y67 HydrophobicContact CG-CD2 3.84Å; R63-Y67 HydrophobicContact CG-CE2 4.09Å; R63-Y67 PolarHBondContact O-N 3.14Å; Y67-H226 AromaticContact CE1-NE2 3.92Å; Y67-H226 AromaticContact CZ-CE1 3.9Å; Y67-H226 AromaticContact CZ-NE2 3.67Å; Y67-H226 PolarHBondContact OH-CE1 3.28Å; Y67-H226 PolarHBondContact OH-NE2 2.89Å
68	Q	98.1	Very high	98.3	Very high	96 Å²	96	62.9 Å²	62.9	45%	0.449	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-15.1	-178.7	-60.9	175	-5.7	0	0	113.7	R63 H70	R63-Q68 PolarHBondContact O-N 2.74Å; Q68-H70 PolarHBondContact O-N 3.21Å; Q68-H70 PolarHBondContact OE1-CD2 3.38Å; Q68-H70 VanDerWaalsContact OE1-CD2 3.32Å; Q68-H70 PolarHBondContact OE1-NE2 2.84Å
69	G	97.4	Very high	98.3	Very high	53 Å²	53	57.9 Å²	57.9	55%	0.546	31%	0.311	S	S	.	.			trans	72.3	21.6	173.6	0	0	0	0	0	115	E64 S65 H71	E64-G69 PolarHBondContact O-N 3.43Å; S65-G69 WeakPolarHBondContact O-CA 3.36Å; S65-G69 PolarHBondContact O-N 3.34Å; G69-H71 PolarHBondContact O-N 3.12Å
70	H	97.9	Very high	98.3	Very high	64 Å²	64	58.2 Å²	58.2	30%	0.296	31%	0.312	S	S	.	.			trans	-74.6	-10.1	-176.2	-67.5	-44.9	0	0	0	114.5	H9 E64 Q68 T72	H9-H70 HydrophobicContact CB-CB 4.35Å; H9-H70 AromaticContact CD2-CD2 3.87Å; H9-H70 AromaticContact CD2-CG 3.64Å; H9-H70 AromaticContact NE2-CD2 3.46Å; H9-H70 PolarHBondContact NE2-CD2 3.02Å; H9-H70 AromaticContact NE2-CG 3.68Å; E64-H70 WeakPolarHBondContact O-CB 3.5Å; E64-H70 PolarHBondContact O-N 3.25Å; Q68-H70 PolarHBondContact O-N 3.21Å; Q68-H70 PolarHBondContact OE1-CD2 3.38Å; Q68-H70 VanDerWaalsContact OE1-CD2 3.32Å; Q68-H70 PolarHBondContact OE1-NE2 2.84Å; H70-T72 VanDerWaalsContact C-N 3.33Å; H70-T72 PolarHBondContact O-N 3.3Å
71	H	98.3	Very high	98.3	Very high	23 Å²	23	63.2 Å²	63.2	11%	0.106	33%	0.33	C	S	.	.			trans	-86.3	69.4	-178.7	-75.5	-149.9	0	0	0	111.9	S65 G69 Q76	S65-H71 VanDerWaalsContact CB-CE1 3.44Å; S65-H71 WeakPolarHBondContact CB-CE1 3.35Å; S65-H71 VanDerWaalsContact CB-CG 3.47Å; S65-H71 WeakPolarHBondContact CB-ND1 3.18Å; G69-H71 PolarHBondContact O-N 3.12Å; H71-Q76 HydrophobicContact CB-CG 4.2Å; H71-Q76 PolarHBondContact O-NE2 2.99Å
72	T	98	Very high	98.3	Very high	40 Å²	40	62.9 Å²	62.9	25%	0.245	34%	0.336	C	S	.	.			trans	-65.5	166.1	172.4	65.9	0	0	0	0	111.6	A7 H70 V75 Q76	A7-T72 HydrophobicContact CB-CG2 4.44Å; A7-T72 WeakPolarHBondContact O-CG2 3.11Å; A7-T72 PolarHBondContact O-OG1 3.08Å; H70-T72 VanDerWaalsContact C-N 3.33Å; H70-T72 PolarHBondContact O-N 3.3Å; T72-V75 WeakPolarHBondContact O-CB 3.5Å; T72-V75 PolarHBondContact O-N 3.02Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.27Å; T72-Q76 PolarHBondContact O-N 2.87Å
73	P	98.1	Very high	98.3	Very high	101 Å²	101	62.9 Å²	62.9	66%	0.656	33%	0.334	S	S	*	.	H	α-helix	trans	-55.4	-40.9	-179.1	-24.5	33.1	0	0	0	115	V75 Q76 K77	P73-V75 PolarHBondContact O-N 2.93Å; P73-Q76 PolarHBondContact O-N 3.46Å; P73-K77 WeakPolarHBondContact O-CB 3.41Å; P73-K77 PolarHBondContact O-N 3.24Å
74	P	98	Very high	98.3	Very high	57 Å²	57	62 Å²	62	37%	0.37	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-39.4	173.1	-26.3	37.1	0	0	0	113.6	A7 Y8 K77 G78	A7-P74 HydrophobicContact CB-CG 4.04Å; Y8-P74 HydrophobicContact CE1-CB 4.4Å; P74-K77 PolarHBondContact O-N 3.29Å; P74-G78 PolarHBondContact O-N 2.96Å
75	V	98.6	Very high	98.3	Very high	21 Å²	21	66.2 Å²	66.2	13%	0.127	36%	0.359	C	S	.	.	H	α-helix	trans	-65.6	-46.7	177.2	175.2	0	0	0	0	110.4	H9 T72 P73 K77 G78 L79	H9-V75 HydrophobicContact CB-CG2 4.12Å; T72-V75 WeakPolarHBondContact O-CB 3.5Å; T72-V75 PolarHBondContact O-N 3.02Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.27Å; P73-V75 PolarHBondContact O-N 2.93Å; V75-K77 VanDerWaalsContact C-N 3.32Å; V75-K77 PolarHBondContact O-N 3.48Å; V75-G78 WeakPolarHBondContact O-CA 3.42Å; V75-G78 PolarHBondContact O-N 2.89Å; V75-G78 VanDerWaalsContact O-N 3.1Å; V75-L79 HydrophobicContact CG1-CD1 4.42Å; V75-L79 WeakPolarHBondContact O-CG 3.43Å; V75-L79 PolarHBondContact O-N 3.42Å
76	Q	98.3	Very high	98.3	Very high	22 Å²	22	69.8 Å²	69.8	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-40.4	176.3	-69.4	-177.6	51.8	0	0	112.2	H71 T72 P73 G78 L79 R80 H231	H71-Q76 HydrophobicContact CB-CG 4.2Å; H71-Q76 PolarHBondContact O-NE2 2.99Å; T72-Q76 PolarHBondContact O-N 2.87Å; P73-Q76 PolarHBondContact O-N 3.46Å; Q76-G78 VanDerWaalsContact C-N 3.32Å; Q76-G78 PolarHBondContact O-N 3.34Å; Q76-L79 PolarHBondContact O-N 2.95Å; Q76-R80 WeakPolarHBondContact O-CG 3.39Å; Q76-R80 PolarHBondContact O-N 3.47Å; Q76-H231 VanDerWaalsContact CD-NE2 3.27Å; Q76-H231 PolarHBondContact NE2-CD2 2.82Å; Q76-H231 VanDerWaalsContact NE2-CD2 3.25Å; Q76-H231 PolarHBondContact NE2-CE1 3.18Å; Q76-H231 PolarHBondContact NE2-NE2 3.14Å; Q76-H231 PolarHBondContact OE1-CD2 2.92Å
77	K	98.3	Very high	98.4	Very high	116 Å²	116	68.6 Å²	68.6	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-60.5	-42	174	-172.1	178.7	180	-177.7	0	111.5	P73 P74 V75 R80 Y81	P73-K77 WeakPolarHBondContact O-CB 3.41Å; P73-K77 PolarHBondContact O-N 3.24Å; P74-K77 PolarHBondContact O-N 3.29Å; V75-K77 VanDerWaalsContact C-N 3.32Å; V75-K77 PolarHBondContact O-N 3.48Å; K77-R80 PolarHBondContact O-N 2.99Å; K77-Y81 HydrophobicContact CD-CE2 4.16Å; K77-Y81 WeakPolarHBondContact CE-OH 3.4Å; K77-Y81 HydrophobicContact CG-CD2 4.27Å; K77-Y81 HydrophobicContact CG-CE2 3.71Å; K77-Y81 WeakPolarHBondContact O-CD2 3.33Å; K77-Y81 PolarHBondContact O-N 2.98Å; K77-Y81 VanDerWaalsContact O-N 3.14Å
78	G	98.6	Very high	98.4	Very high	40 Å²	40	64.5 Å²	64.5	41%	0.412	36%	0.355	S	S	.	.	H	α-helix	trans	-60.1	-45.1	173.6	0	0	0	0	0	112.9	P74 V75 Q76 R80 Y81 G82	P74-G78 PolarHBondContact O-N 2.96Å; V75-G78 WeakPolarHBondContact O-CA 3.42Å; V75-G78 PolarHBondContact O-N 2.89Å; V75-G78 VanDerWaalsContact O-N 3.1Å; Q76-G78 VanDerWaalsContact C-N 3.32Å; Q76-G78 PolarHBondContact O-N 3.34Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 3.02Å; G78-Y81 PolarHBondContact O-N 2.64Å; G78-G82 PolarHBondContact O-N 3.45Å
79	L	98.6	Very high	98.4	Very high	61 Å²	61	62.8 Å²	62.8	32%	0.319	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-38.6	176.7	-66.6	172.4	0	0	0	112.3	V75 Q76 G82 M83 F233	V75-L79 HydrophobicContact CG1-CD1 4.42Å; V75-L79 WeakPolarHBondContact O-CG 3.43Å; V75-L79 PolarHBondContact O-N 3.42Å; Q76-L79 PolarHBondContact O-N 2.95Å; L79-G82 PolarHBondContact O-N 3.42Å; L79-M83 PolarHBondContact O-N 3.44Å; L79-F233 VanDerWaalsContact C-CZ 3.43Å; L79-F233 HydrophobicContact CB-CD1 3.88Å; L79-F233 HydrophobicContact CB-CE1 3.45Å; L79-F233 VanDerWaalsContact CB-CE1 3.45Å; L79-F233 HydrophobicContact CB-CE2 4.39Å; L79-F233 HydrophobicContact CB-CZ 3.73Å; L79-F233 HydrophobicContact CD1-CD1 4.03Å; L79-F233 HydrophobicContact CD1-CE1 4.27Å; L79-F233 HydrophobicContact CG-CE1 4.36Å; L79-F233 VanDerWaalsContact O-CZ 3.31Å; L79-F233 WeakPolarHBondContact O-CZ 3.38Å
80	R	98.5	Very high	98.5	Very high	86 Å²	86	62 Å²	62	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-46.2	173.6	-71.6	179.3	175.6	140.7	-0.1	112	Q76 K77 G78 G82 M83 I84 F233 E236 W240	Q76-R80 WeakPolarHBondContact O-CG 3.39Å; Q76-R80 PolarHBondContact O-N 3.47Å; K77-R80 PolarHBondContact O-N 2.99Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 3.02Å; R80-G82 VanDerWaalsContact C-N 3.33Å; R80-G82 PolarHBondContact O-N 3.1Å; R80-M83 PolarHBondContact O-N 2.8Å; R80-I84 WeakPolarHBondContact O-CG1 3.37Å; R80-I84 PolarHBondContact O-N 2.92Å; R80-F233 HydrophobicContact CB-CE2 4.13Å; R80-F233 HydrophobicContact CG-CD2 3.62Å; R80-F233 HydrophobicContact CG-CE2 3.43Å; R80-F233 VanDerWaalsContact CG-CE2 3.43Å; R80-F233 HydrophobicContact CG-CZ 4.5Å; R80-E236 IonicContact CZ-OE1 3.92Å; R80-E236 IonicContact CZ-OE2 3.41Å; R80-E236 IonicContact NE-OE2 3.38Å; R80-E236 PolarHBondContact NE-OE2 3.32Å; R80-E236 IonicContact NH2-OE1 3.78Å; R80-E236 PolarHBondContact NH2-OE1 2.68Å; R80-E236 IonicContact NH2-OE2 2.96Å; R80-E236 PolarHBondContact NH2-OE2 3.03Å; R80-W240 HydrophobicContact CB-CH2 3.97Å; R80-W240 HydrophobicContact CB-CZ3 4.23Å; R80-W240 HydrophobicContact CG-CH2 3.74Å; R80-W240 HydrophobicContact CG-CZ3 4.27Å
81	Y	98.6	Very high	98.5	Very high	133 Å²	133	62.5 Å²	62.5	52%	0.522	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-43.3	173.9	-70.3	-56.3	0	0	0	112	K77 G78 M83 I84 L85	K77-Y81 HydrophobicContact CD-CE2 4.16Å; K77-Y81 WeakPolarHBondContact CE-OH 3.4Å; K77-Y81 HydrophobicContact CG-CD2 4.27Å; K77-Y81 HydrophobicContact CG-CE2 3.71Å; K77-Y81 WeakPolarHBondContact O-CD2 3.33Å; K77-Y81 PolarHBondContact O-N 2.98Å; K77-Y81 VanDerWaalsContact O-N 3.14Å; G78-Y81 PolarHBondContact O-N 2.64Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.24Å; Y81-I84 PolarHBondContact O-N 3.14Å; Y81-L85 WeakPolarHBondContact O-CB 3.48Å; Y81-L85 WeakPolarHBondContact O-CG 3.38Å; Y81-L85 PolarHBondContact O-N 3.02Å
82	G	98.8	Very high	98.5	Very high	41 Å²	41	68.4 Å²	68.4	42%	0.423	37%	0.369	S	S	.	.	H	α-helix	trans	-57.5	-45.6	177	0	0	0	0	0	112.5	G78 L79 R80 L85 F86	G78-G82 PolarHBondContact O-N 3.45Å; L79-G82 PolarHBondContact O-N 3.42Å; R80-G82 VanDerWaalsContact C-N 3.33Å; R80-G82 PolarHBondContact O-N 3.1Å; G82-L85 PolarHBondContact O-N 2.89Å; G82-F86 WeakPolarHBondContact O-CB 3.44Å; G82-F86 PolarHBondContact O-N 2.82Å
83	M	98.8	Very high	98.6	Very high	25 Å²	25	70.3 Å²	70.3	12%	0.123	37%	0.374	C	S	.	.	H	α-helix	trans	-67.4	-40.5	179	-169.5	63.5	-172.6	0	0	112.6	L79 R80 Y81 F86 I87 F233 A237 W240 Y241	L79-M83 PolarHBondContact O-N 3.44Å; R80-M83 PolarHBondContact O-N 2.8Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.24Å; M83-F86 HydrophobicContact CE-CD1 4.02Å; M83-F86 HydrophobicContact CE-CE1 4.33Å; M83-F86 PolarHBondContact O-N 2.96Å; M83-F86 HydrophobicContact SD-CD1 3.93Å; M83-I87 HydrophobicContact CE-CD1 3.95Å; M83-I87 HydrophobicContact CE-CG1 3.96Å; M83-I87 HydrophobicContact CG-CD1 4.26Å; M83-I87 WeakPolarHBondContact O-CG1 3.46Å; M83-I87 PolarHBondContact O-N 3.04Å; M83-F233 HydrophobicContact CB-CZ 4.04Å; M83-A237 HydrophobicContact CE-CB 4.36Å; M83-A237 WeakPolarHBondContact CE-O 3.47Å; M83-A237 HydrophobicContact CG-CB 3.92Å; M83-A237 HydrophobicContact SD-CB 4.12Å; M83-W240 HydrophobicContact CB-CE3 4.17Å; M83-W240 HydrophobicContact CB-CZ3 4.22Å; M83-W240 HydrophobicContact CG-CE3 3.92Å; M83-W240 HydrophobicContact CG-CZ3 4.46Å; M83-Y241 HydrophobicContact CE-CD2 3.98Å; M83-Y241 HydrophobicContact CE-CG 4.25Å
84	I	98.7	Very high	98.6	Very high	85 Å²	85	65.7 Å²	65.7	44%	0.436	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-45.2	176.4	-69	166.7	0	0	0	110.6	R80 Y81 I87 T88 W240	R80-I84 WeakPolarHBondContact O-CG1 3.37Å; R80-I84 PolarHBondContact O-N 2.92Å; Y81-I84 PolarHBondContact O-N 3.14Å; I84-I87 PolarHBondContact O-N 2.87Å; I84-T88 WeakPolarHBondContact O-CB 3.31Å; I84-T88 PolarHBondContact O-N 3.36Å; I84-T88 PolarHBondContact O-OG1 3.17Å; I84-W240 HydrophobicContact CD1-CZ3 4.44Å; I84-W240 HydrophobicContact CG1-CE3 4.45Å; I84-W240 HydrophobicContact CG1-CZ3 4.05Å
85	L	98.8	Very high	98.6	Very high	121 Å²	121	65.1 Å²	65.1	63%	0.634	34%	0.344	S	S	*	.	H	α-helix	trans	-65.5	-39.2	178.7	-70.4	172.5	0	0	0	111.9	Y81 G82 T88 S89	Y81-L85 WeakPolarHBondContact O-CB 3.48Å; Y81-L85 WeakPolarHBondContact O-CG 3.38Å; Y81-L85 PolarHBondContact O-N 3.02Å; G82-L85 PolarHBondContact O-N 2.89Å; L85-T88 WeakPolarHBondContact O-CB 3.38Å; L85-T88 PolarHBondContact O-N 2.81Å; L85-S89 PolarHBondContact O-N 3.49Å
86	F	98.8	Very high	98.6	Very high	87 Å²	87	65.9 Å²	65.9	38%	0.382	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-51.2	173.4	170.3	-107.5	0	0	0	111.9	G82 M83 T88 S89 E90 Y241	G82-F86 WeakPolarHBondContact O-CB 3.44Å; G82-F86 PolarHBondContact O-N 2.82Å; M83-F86 HydrophobicContact CE-CD1 4.02Å; M83-F86 HydrophobicContact CE-CE1 4.33Å; M83-F86 PolarHBondContact O-N 2.96Å; M83-F86 HydrophobicContact SD-CD1 3.93Å; F86-T88 PolarHBondContact O-N 3.29Å; F86-S89 PolarHBondContact O-N 3.02Å; F86-S89 VanDerWaalsContact O-N 3.12Å; F86-S89 PolarHBondContact O-OG 3.25Å; F86-E90 HydrophobicContact CE1-CG 4.27Å; F86-E90 HydrophobicContact CE2-CG 4.08Å; F86-E90 WeakPolarHBondContact CE2-OE1 3.18Å; F86-E90 HydrophobicContact CZ-CG 3.92Å; F86-E90 WeakPolarHBondContact O-CG 3.5Å; F86-E90 PolarHBondContact O-N 3.3Å; F86-E90 VanDerWaalsContact O-N 3.09Å; F86-Y241 AromaticContact CE1-CD2 4Å; F86-Y241 HydrophobicContact CE1-CD2 4Å; F86-Y241 AromaticContact CE1-CE2 3.77Å; F86-Y241 HydrophobicContact CE1-CE2 3.77Å; F86-Y241 HydrophobicContact CZ-CE2 4.28Å
87	I	98.7	Very high	98.6	Very high	24 Å²	24	66.9 Å²	66.9	12%	0.123	36%	0.36	C	S	.	.	H	α-helix	trans	-60.4	-37.9	176.4	-65.4	175	0	0	0	110.7	M83 I84 S89 E90 V91 W240 F244	M83-I87 HydrophobicContact CE-CD1 3.95Å; M83-I87 HydrophobicContact CE-CG1 3.96Å; M83-I87 HydrophobicContact CG-CD1 4.26Å; M83-I87 WeakPolarHBondContact O-CG1 3.46Å; M83-I87 PolarHBondContact O-N 3.04Å; I84-I87 PolarHBondContact O-N 2.87Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 3.46Å; I87-E90 WeakPolarHBondContact O-CB 3.46Å; I87-E90 PolarHBondContact O-N 2.84Å; I87-E90 VanDerWaalsContact O-N 3.15Å; I87-V91 HydrophobicContact CG2-CG2 4.46Å; I87-V91 WeakPolarHBondContact O-CG2 3.4Å; I87-V91 PolarHBondContact O-N 2.97Å; I87-W240 HydrophobicContact CD1-CB 3.74Å; I87-F244 HydrophobicContact CG2-CB 3.93Å; I87-F244 HydrophobicContact CG2-CD2 3.82Å; I87-F244 HydrophobicContact CG2-CG 3.97Å
88	T	98.8	Very high	98.6	Very high	59 Å²	59	62.8 Å²	62.8	36%	0.362	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-42.6	177	-56.9	0	0	0	0	111.3	I84 L85 F86 E90 V91 F92	I84-T88 WeakPolarHBondContact O-CB 3.31Å; I84-T88 PolarHBondContact O-N 3.36Å; I84-T88 PolarHBondContact O-OG1 3.17Å; L85-T88 WeakPolarHBondContact O-CB 3.38Å; L85-T88 PolarHBondContact O-N 2.81Å; F86-T88 PolarHBondContact O-N 3.29Å; T88-E90 VanDerWaalsContact C-N 3.33Å; T88-E90 PolarHBondContact O-N 3.28Å; T88-V91 PolarHBondContact O-N 2.8Å; T88-F92 HydrophobicContact CG2-CD2 4.13Å; T88-F92 HydrophobicContact CG2-CE2 3.89Å; T88-F92 VanDerWaalsContact O-CD2 3.26Å; T88-F92 WeakPolarHBondContact O-CD2 3.35Å; T88-F92 PolarHBondContact O-N 3.31Å
89	S	98.7	Very high	98.6	Very high	60 Å²	60	70.1 Å²	70.1	42%	0.42	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-36.6	174.8	55.6	0	0	0	0	112.6	L85 F86 I87 V91 F92 F93	L85-S89 PolarHBondContact O-N 3.49Å; F86-S89 PolarHBondContact O-N 3.02Å; F86-S89 VanDerWaalsContact O-N 3.12Å; F86-S89 PolarHBondContact O-OG 3.25Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 3.46Å; S89-V91 VanDerWaalsContact C-N 3.35Å; S89-F92 PolarHBondContact O-N 3.43Å; S89-F93 PolarHBondContact O-N 3.41Å
90	E	98.8	Very high	98.6	Very high	35 Å²	35	69.3 Å²	69.3	16%	0.164	36%	0.36	C	S	.	.	H	α-helix	trans	-65.3	-37.1	175.2	-62.6	-54.3	131.2	0	0	112	F86 I87 T88 F92 F93 F94 H207 F244	F86-E90 HydrophobicContact CE1-CG 4.27Å; F86-E90 HydrophobicContact CE2-CG 4.08Å; F86-E90 WeakPolarHBondContact CE2-OE1 3.18Å; F86-E90 HydrophobicContact CZ-CG 3.92Å; F86-E90 WeakPolarHBondContact O-CG 3.5Å; F86-E90 PolarHBondContact O-N 3.3Å; F86-E90 VanDerWaalsContact O-N 3.09Å; I87-E90 WeakPolarHBondContact O-CB 3.46Å; I87-E90 PolarHBondContact O-N 2.84Å; I87-E90 VanDerWaalsContact O-N 3.15Å; T88-E90 VanDerWaalsContact C-N 3.33Å; T88-E90 PolarHBondContact O-N 3.28Å; E90-F92 VanDerWaalsContact C-N 3.35Å; E90-F92 PolarHBondContact O-N 2.92Å; E90-F93 WeakPolarHBondContact O-CB 3.42Å; E90-F93 PolarHBondContact O-N 2.82Å; E90-F94 WeakPolarHBondContact O-CD2 3.44Å; E90-F94 PolarHBondContact O-N 3.35Å; E90-H207 IonicContact OE2-CE1 3.05Å; E90-H207 IonicContact OE2-NE2 2.92Å; E90-H207 PolarHBondContact OE2-NE2 3.47Å; E90-F244 HydrophobicContact CB-CE1 4.26Å; E90-F244 HydrophobicContact CB-CE2 3.95Å; E90-F244 HydrophobicContact CB-CZ 3.6Å
91	V	98.6	Very high	98.6	Very high	76 Å²	76	65.3 Å²	65.3	46%	0.461	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-44	173.4	171.9	0	0	0	0	111.1	I87 T88 S89 F93 F94 A95 F244	I87-V91 HydrophobicContact CG2-CG2 4.46Å; I87-V91 WeakPolarHBondContact O-CG2 3.4Å; I87-V91 PolarHBondContact O-N 2.97Å; T88-V91 PolarHBondContact O-N 2.8Å; S89-V91 VanDerWaalsContact C-N 3.35Å; V91-F93 VanDerWaalsContact C-N 3.33Å; V91-F94 PolarHBondContact O-N 3.43Å; V91-A95 WeakPolarHBondContact O-CB 3.42Å; V91-A95 PolarHBondContact O-N 3.47Å; V91-F244 HydrophobicContact CG2-CD2 3.92Å; V91-F244 HydrophobicContact CG2-CE2 3.84Å
92	F	98.5	Very high	98.6	Very high	147 Å²	147	62.9 Å²	62.9	65%	0.645	34%	0.335	S	S	*	.	H	α-helix	trans	-68.2	-32.6	175.8	-79	-72.1	0	0	0	113	T88 S89 E90 A95 G96	T88-F92 HydrophobicContact CG2-CD2 4.13Å; T88-F92 HydrophobicContact CG2-CE2 3.89Å; T88-F92 VanDerWaalsContact O-CD2 3.26Å; T88-F92 WeakPolarHBondContact O-CD2 3.35Å; T88-F92 PolarHBondContact O-N 3.31Å; S89-F92 PolarHBondContact O-N 3.43Å; E90-F92 VanDerWaalsContact C-N 3.35Å; E90-F92 PolarHBondContact O-N 2.92Å; F92-A95 WeakPolarHBondContact O-CB 3.49Å; F92-A95 PolarHBondContact O-N 3.32Å; F92-G96 PolarHBondContact O-N 3.25Å
93	F	98.4	Very high	98.6	Very high	79 Å²	79	67.3 Å²	67.3	35%	0.346	35%	0.345	S	S	.	.	H	α-helix	trans	-59.9	-48.9	172.3	174.5	-111.3	0	0	0	111.1	S89 E90 V91 A95 G96 F97 F203	S89-F93 PolarHBondContact O-N 3.41Å; E90-F93 WeakPolarHBondContact O-CB 3.42Å; E90-F93 PolarHBondContact O-N 2.82Å; V91-F93 VanDerWaalsContact C-N 3.33Å; F93-A95 PolarHBondContact O-N 2.92Å; F93-G96 PolarHBondContact O-N 3.04Å; F93-F97 HydrophobicContact CD1-CE2 4.11Å; F93-F97 AromaticContact CE1-CE2 3.51Å; F93-F97 HydrophobicContact CE1-CE2 3.51Å; F93-F97 HydrophobicContact CE1-CZ 4.08Å; F93-F97 HydrophobicContact CE2-CE2 4.01Å; F93-F97 AromaticContact CE2-CZ 3.87Å; F93-F97 HydrophobicContact CE2-CZ 3.87Å; F93-F97 AromaticContact CZ-CE2 3.45Å; F93-F97 HydrophobicContact CZ-CE2 3.45Å; F93-F97 VanDerWaalsContact CZ-CE2 3.45Å; F93-F97 AromaticContact CZ-CZ 3.51Å; F93-F97 HydrophobicContact CZ-CZ 3.51Å; F93-F203 HydrophobicContact CE1-CB 4.34Å; F93-F203 AromaticContact CE1-CD1 3.73Å; F93-F203 HydrophobicContact CE1-CD1 3.73Å; F93-F203 HydrophobicContact CE1-CE1 4.14Å; F93-F203 AromaticContact CE1-CG 3.95Å; F93-F203 HydrophobicContact CE1-CG 3.95Å; F93-F203 AromaticContact CZ-CD1 3.74Å; F93-F203 HydrophobicContact CZ-CD1 3.74Å; F93-F203 HydrophobicContact CZ-CD2 4.19Å; F93-F203 AromaticContact CZ-CE1 3.7Å; F93-F203 HydrophobicContact CZ-CE1 3.7Å; F93-F203 HydrophobicContact CZ-CE2 4.15Å; F93-F203 HydrophobicContact CZ-CG 4Å; F93-F203 AromaticContact CZ-CZ 3.91Å; F93-F203 HydrophobicContact CZ-CZ 3.91Å
94	F	98.6	Very high	98.6	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.018	35%	0.346	C	S	.	.	H	α-helix	trans	-66.5	-33.7	174.7	-83.8	-81.1	0	0	0	113.5	E90 V91 G96 F97 F98 F203 H204 H207 F244 V248	E90-F94 WeakPolarHBondContact O-CD2 3.44Å; E90-F94 PolarHBondContact O-N 3.35Å; V91-F94 PolarHBondContact O-N 3.43Å; F94-G96 PolarHBondContact O-N 2.92Å; F94-F97 HydrophobicContact CD1-CD2 4.14Å; F94-F97 PolarHBondContact O-N 3.45Å; F94-F98 HydrophobicContact CB-CD2 4.35Å; F94-F98 HydrophobicContact CB-CE2 4.13Å; F94-F98 WeakPolarHBondContact O-CD2 3.36Å; F94-F98 PolarHBondContact O-N 3.45Å; F94-F203 HydrophobicContact CE1-CB 4.24Å; F94-F203 HydrophobicContact CZ-CB 4.18Å; F94-H204 HydrophobicContact CE1-CB 3.97Å; F94-H204 HydrophobicContact CZ-CB 4.13Å; F94-H207 AromaticContact CE2-CE1 3.73Å; F94-H207 AromaticContact CE2-ND1 3.88Å; F94-H207 AromaticContact CE2-NE2 3.89Å; F94-H207 AromaticContact CZ-CE1 4Å; F94-H207 AromaticContact CZ-ND1 3.79Å; F94-F244 HydrophobicContact CD2-CE2 4.43Å; F94-F244 AromaticContact CD2-CZ 3.85Å; F94-F244 HydrophobicContact CD2-CZ 3.85Å; F94-F244 HydrophobicContact CE2-CE1 4.49Å; F94-F244 AromaticContact CE2-CZ 3.82Å; F94-F244 HydrophobicContact CE2-CZ 3.82Å; F94-V248 HydrophobicContact CD1-CG1 3.6Å; F94-V248 HydrophobicContact CD2-CG1 4.25Å; F94-V248 HydrophobicContact CD2-CG2 4.28Å; F94-V248 HydrophobicContact CE1-CG1 3.7Å; F94-V248 HydrophobicContact CE2-CG1 4.34Å; F94-V248 HydrophobicContact CG-CG1 3.89Å; F94-V248 HydrophobicContact CG-CG2 4.4Å; F94-V248 HydrophobicContact CZ-CG1 4.08Å
95	A	98.4	Very high	98.6	Very high	46 Å²	46	63.4 Å²	63.4	38%	0.38	33%	0.327	S	S	.	.	H	α-helix	trans	-56.7	-32.8	176.2	0	0	0	0	0	112.3	V91 F92 F93 W99	V91-A95 WeakPolarHBondContact O-CB 3.42Å; V91-A95 PolarHBondContact O-N 3.47Å; F92-A95 WeakPolarHBondContact O-CB 3.49Å; F92-A95 PolarHBondContact O-N 3.32Å; F93-A95 PolarHBondContact O-N 2.92Å; A95-W99 WeakPolarHBondContact O-CB 3.47Å; A95-W99 PolarHBondContact O-N 3.18Å
96	G	98.6	Very high	98.6	Very high	37 Å²	37	63.2 Å²	63.2	38%	0.381	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-41.6	172.5	0	0	0	0	0	113.4	F92 F93 F94 W99 A100	F92-G96 PolarHBondContact O-N 3.25Å; F93-G96 PolarHBondContact O-N 3.04Å; F94-G96 PolarHBondContact O-N 2.92Å; G96-W99 PolarHBondContact O-N 2.97Å; G96-A100 PolarHBondContact O-N 2.98Å
97	F	98.4	Very high	98.5	Very high	43 Å²	43	62.2 Å²	62.2	19%	0.189	34%	0.335	C	S	.	.	H	α-helix	trans	-70.2	-41.6	177	-61	-48.9	0	0	0	112.5	F93 F94 W99 A100 F101 V199 A200 F203	F93-F97 HydrophobicContact CD1-CE2 4.11Å; F93-F97 AromaticContact CE1-CE2 3.51Å; F93-F97 HydrophobicContact CE1-CE2 3.51Å; F93-F97 HydrophobicContact CE1-CZ 4.08Å; F93-F97 HydrophobicContact CE2-CE2 4.01Å; F93-F97 AromaticContact CE2-CZ 3.87Å; F93-F97 HydrophobicContact CE2-CZ 3.87Å; F93-F97 AromaticContact CZ-CE2 3.45Å; F93-F97 HydrophobicContact CZ-CE2 3.45Å; F93-F97 VanDerWaalsContact CZ-CE2 3.45Å; F93-F97 AromaticContact CZ-CZ 3.51Å; F93-F97 HydrophobicContact CZ-CZ 3.51Å; F94-F97 HydrophobicContact CD1-CD2 4.14Å; F94-F97 PolarHBondContact O-N 3.45Å; F97-W99 VanDerWaalsContact C-N 3.3Å; F97-W99 PolarHBondContact O-N 3.38Å; F97-A100 PolarHBondContact O-N 3.47Å; F97-F101 WeakPolarHBondContact O-CB 3.39Å; F97-F101 PolarHBondContact O-N 3Å; F97-V199 HydrophobicContact CD1-CG1 3.97Å; F97-V199 HydrophobicContact CE1-CG1 3.51Å; F97-V199 HydrophobicContact CZ-CG1 3.98Å; F97-A200 HydrophobicContact CB-CB 4.08Å; F97-F203 HydrophobicContact CE1-CD2 4.27Å; F97-F203 HydrophobicContact CE1-CE2 4.42Å; F97-F203 HydrophobicContact CE2-CB 4.05Å; F97-F203 AromaticContact CE2-CD2 3.59Å; F97-F203 HydrophobicContact CE2-CD2 3.59Å; F97-F203 HydrophobicContact CE2-CE2 4.26Å; F97-F203 AromaticContact CE2-CG 3.91Å; F97-F203 HydrophobicContact CE2-CG 3.91Å; F97-F203 AromaticContact CZ-CD2 3.35Å; F97-F203 HydrophobicContact CZ-CD2 3.35Å; F97-F203 AromaticContact CZ-CE2 3.6Å; F97-F203 HydrophobicContact CZ-CE2 3.6Å; F97-F203 HydrophobicContact CZ-CG 4.1Å
98	F	98.6	Very high	98.5	Very high	29 Å²	29	62.7 Å²	62.7	13%	0.127	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-40.2	174.1	-73.2	-70.6	0	0	0	111.4	F94 F101 Y102 F251 L252	F94-F98 HydrophobicContact CB-CD2 4.35Å; F94-F98 HydrophobicContact CB-CE2 4.13Å; F94-F98 WeakPolarHBondContact O-CD2 3.36Å; F94-F98 PolarHBondContact O-N 3.45Å; F98-F101 PolarHBondContact O-N 3.4Å; F98-Y102 HydrophobicContact CB-CD2 4.41Å; F98-Y102 HydrophobicContact CB-CE2 4.49Å; F98-Y102 WeakPolarHBondContact O-CB 3.5Å; F98-Y102 WeakPolarHBondContact O-CD2 3.38Å; F98-Y102 PolarHBondContact O-N 3.36Å; F98-F251 HydrophobicContact CE1-CB 3.83Å; F98-F251 HydrophobicContact CE2-CB 4.16Å; F98-F251 HydrophobicContact CZ-CB 3.44Å; F98-F251 VanDerWaalsContact CZ-CB 3.44Å; F98-L252 HydrophobicContact CE1-CD2 3.88Å; F98-L252 HydrophobicContact CE1-CG 4.35Å; F98-L252 HydrophobicContact CZ-CD2 3.72Å; F98-L252 HydrophobicContact CZ-CG 3.91Å
99	W	98.7	Very high	98.4	Very high	195 Å²	195	63 Å²	63	74%	0.739	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-49.8	173.4	-178.4	6.6	0	0	0	111.1	A95 G96 F97 F101 Y102 H103	A95-W99 WeakPolarHBondContact O-CB 3.47Å; A95-W99 PolarHBondContact O-N 3.18Å; G96-W99 PolarHBondContact O-N 2.97Å; F97-W99 VanDerWaalsContact C-N 3.3Å; F97-W99 PolarHBondContact O-N 3.38Å; W99-F101 VanDerWaalsContact C-N 3.3Å; W99-F101 PolarHBondContact O-N 3.1Å; W99-Y102 PolarHBondContact O-N 3.01Å; W99-H103 VanDerWaalsContact O-CB 3.28Å; W99-H103 WeakPolarHBondContact O-CB 3.48Å; W99-H103 PolarHBondContact O-N 3.43Å
100	A	98.6	Very high	98.4	Very high	44 Å²	44	65.4 Å²	65.4	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-55.2	-46.3	177.4	0	0	0	0	0	112	G96 F97 S104	G96-A100 PolarHBondContact O-N 2.98Å; F97-A100 PolarHBondContact O-N 3.47Å; A100-S104 PolarHBondContact O-N 3.46Å; A100-S104 PolarHBondContact O-OG 3.25Å
101	F	98.8	Very high	98.3	Very high	1 Å²	1	71.5 Å²	71.5	0%	0.004	38%	0.384	C	S	.	.	H	α-helix	trans	-60.5	-52.6	176.4	168.2	-99.9	0	0	0	112.7	F97 F98 W99 H103 S104 S105 W116 T196 S255 I256 W259	F97-F101 WeakPolarHBondContact O-CB 3.39Å; F97-F101 PolarHBondContact O-N 3Å; F98-F101 PolarHBondContact O-N 3.4Å; W99-F101 VanDerWaalsContact C-N 3.3Å; W99-F101 PolarHBondContact O-N 3.1Å; F101-H103 VanDerWaalsContact C-N 3.33Å; F101-H103 PolarHBondContact O-N 2.96Å; F101-S104 PolarHBondContact O-N 2.89Å; F101-S105 WeakPolarHBondContact O-CB 3.38Å; F101-S105 PolarHBondContact O-N 2.93Å; F101-S105 PolarHBondContact O-OG 2.96Å; F101-W116 HydrophobicContact CD2-CZ2 4.35Å; F101-W116 AromaticContact CE2-CZ2 3.98Å; F101-W116 HydrophobicContact CE2-CZ2 3.98Å; F101-T196 HydrophobicContact CB-CG2 4.48Å; F101-S255 WeakPolarHBondContact CE1-O 3.37Å; F101-S255 VanDerWaalsContact CZ-O 3.26Å; F101-S255 WeakPolarHBondContact CZ-O 3.48Å; F101-I256 HydrophobicContact CD1-CG1 4.22Å; F101-I256 HydrophobicContact CD2-CD1 4.4Å; F101-I256 HydrophobicContact CD2-CG1 3.95Å; F101-I256 HydrophobicContact CE1-CG1 4.27Å; F101-I256 HydrophobicContact CE2-CB 4.39Å; F101-I256 HydrophobicContact CE2-CG1 4Å; F101-I256 HydrophobicContact CE2-CG2 4.39Å; F101-I256 HydrophobicContact CG-CD1 4.47Å; F101-I256 HydrophobicContact CG-CG1 4.06Å; F101-I256 HydrophobicContact CZ-CG1 4.17Å; F101-W259 AromaticContact CE1-CE3 3.82Å; F101-W259 HydrophobicContact CE1-CE3 3.82Å; F101-W259 AromaticContact CE1-CZ3 3.66Å; F101-W259 HydrophobicContact CE1-CZ3 3.66Å; F101-W259 AromaticContact CZ-CE3 3.84Å; F101-W259 HydrophobicContact CZ-CE3 3.84Å; F101-W259 AromaticContact CZ-CZ3 3.73Å; F101-W259 HydrophobicContact CZ-CZ3 3.73Å
102	Y	98.8	Very high	98.2	Very high	82 Å²	82	69.4 Å²	69.4	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-35.6	-178.7	-79.9	-61	0	0	0	112.6	F98 W99 S104 S105 L106 S255 W259	F98-Y102 HydrophobicContact CB-CD2 4.41Å; F98-Y102 HydrophobicContact CB-CE2 4.49Å; F98-Y102 WeakPolarHBondContact O-CB 3.5Å; F98-Y102 WeakPolarHBondContact O-CD2 3.38Å; F98-Y102 PolarHBondContact O-N 3.36Å; W99-Y102 PolarHBondContact O-N 3.01Å; Y102-S104 VanDerWaalsContact C-N 3.33Å; Y102-S104 PolarHBondContact O-N 3.49Å; Y102-S105 WeakPolarHBondContact CA-OG 3.35Å; Y102-S105 PolarHBondContact O-OG 3Å; Y102-L106 HydrophobicContact CD1-CD1 4.17Å; Y102-L106 HydrophobicContact CD1-CG 4.38Å; Y102-L106 WeakPolarHBondContact O-CB 3.39Å; Y102-L106 VanDerWaalsContact O-CG 3.26Å; Y102-L106 WeakPolarHBondContact O-CG 3.44Å; Y102-L106 PolarHBondContact O-N 2.89Å; Y102-S255 WeakPolarHBondContact OH-CB 3.45Å; Y102-S255 PolarHBondContact OH-OG 3.29Å; Y102-W259 HydrophobicContact CD1-CH2 4.19Å; Y102-W259 AromaticContact CD1-CZ3 3.94Å; Y102-W259 HydrophobicContact CD1-CZ3 3.94Å; Y102-W259 HydrophobicContact CE1-CE3 4.03Å; Y102-W259 HydrophobicContact CE1-CH2 4.34Å; Y102-W259 AromaticContact CE1-CZ3 3.89Å; Y102-W259 HydrophobicContact CE1-CZ3 3.89Å
103	H	98.5	Very high	98.1	Very high	134 Å²	134	64.4 Å²	64.4	62%	0.62	36%	0.36	S	S	*	.	H	α-helix	trans	-59.7	-45.1	175.1	178.9	71.5	0	0	0	111.4	W99 F101	W99-H103 VanDerWaalsContact O-CB 3.28Å; W99-H103 WeakPolarHBondContact O-CB 3.48Å; W99-H103 PolarHBondContact O-N 3.43Å; F101-H103 VanDerWaalsContact C-N 3.33Å; F101-H103 PolarHBondContact O-N 2.96Å
104	S	98.1	Very high	98	Very high	21 Å²	21	63 Å²	63	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-76.7	-34.8	-177.9	-59.3	0	0	0	0	114	A100 F101 Y102 I192	A100-S104 PolarHBondContact O-N 3.46Å; A100-S104 PolarHBondContact O-OG 3.25Å; F101-S104 PolarHBondContact O-N 2.89Å; Y102-S104 VanDerWaalsContact C-N 3.33Å; Y102-S104 PolarHBondContact O-N 3.49Å; S104-I192 WeakPolarHBondContact OG-CG1 3.26Å
105	S	98.2	Very high	97.9	Very high	7 Å²	7	67.3 Å²	67.3	5%	0.049	39%	0.387	C	S	.	.	H	α-helix	trans	-83.6	-34.7	-176.6	53.5	0	0	0	0	113.9	F101 Y102 P108 W259	F101-S105 WeakPolarHBondContact O-CB 3.38Å; F101-S105 PolarHBondContact O-N 2.93Å; F101-S105 PolarHBondContact O-OG 2.96Å; Y102-S105 WeakPolarHBondContact CA-OG 3.35Å; Y102-S105 PolarHBondContact O-OG 3Å; S105-P108 WeakPolarHBondContact O-CD 3.42Å; S105-P108 WeakPolarHBondContact O-CG 3.41Å; S105-W259 VanDerWaalsContact OG-CZ3 3.29Å; S105-W259 WeakPolarHBondContact OG-CZ3 3.48Å
106	L	98.4	Very high	97.9	Very high	117 Å²	117	67.2 Å²	67.2	61%	0.613	38%	0.377	S	S	*	.	H	α-helix	trans	-76.9	-23.2	179.3	-67.9	170.9	0	0	0	113.3	Y102 W259	Y102-L106 HydrophobicContact CD1-CD1 4.17Å; Y102-L106 HydrophobicContact CD1-CG 4.38Å; Y102-L106 WeakPolarHBondContact O-CB 3.39Å; Y102-L106 VanDerWaalsContact O-CG 3.26Å; Y102-L106 WeakPolarHBondContact O-CG 3.44Å; Y102-L106 PolarHBondContact O-N 2.89Å; L106-W259 HydrophobicContact CD2-CH2 3.49Å; L106-W259 VanDerWaalsContact CD2-CH2 3.49Å; L106-W259 HydrophobicContact CD2-CZ2 3.47Å; L106-W259 VanDerWaalsContact CD2-CZ2 3.47Å; L106-W259 HydrophobicContact CG-CH2 3.92Å; L106-W259 HydrophobicContact CG-CZ2 4.39Å
107	A	97.8	Very high	97.9	Very high	67 Å²	67	66.6 Å²	66.6	55%	0.554	37%	0.366	S	S	*	.	S	Bend	trans	-133.9	69.2	177.6	0	0	0	0	0	111.7	T109	A107-T109 PolarHBondContact O-N 3.02Å
108	P	97.8	Very high	97.9	Very high	34 Å²	34	65.1 Å²	65.1	22%	0.221	36%	0.361	C	S	.	.			trans	-62.9	133.9	-177	-21.9	35.6	0	0	0	111.7	S105 L112 H115 W116	S105-P108 WeakPolarHBondContact O-CD 3.42Å; S105-P108 WeakPolarHBondContact O-CG 3.41Å; P108-L112 HydrophobicContact CB-CD1 4.36Å; P108-H115 WeakPolarHBondContact CB-O 3.23Å; P108-W116 HydrophobicContact CG-CB 3.81Å
109	T	98.1	Very high	97.8	Very high	65 Å²	65	68.5 Å²	68.5	40%	0.399	38%	0.384	S	S	.	.			trans	-75.2	159.2	-178.7	67.9	0	0	0	0	111.7	A107 Q111 L112 G114	A107-T109 PolarHBondContact O-N 3.02Å; T109-Q111 VanDerWaalsContact CB-OE1 3.28Å; T109-Q111 PolarHBondContact O-N 3.44Å; T109-Q111 VanDerWaalsContact O-N 3.16Å; T109-Q111 PolarHBondContact OG1-OE1 3.29Å; T109-L112 WeakPolarHBondContact O-CB 3.34Å; T109-L112 PolarHBondContact O-N 3.43Å; T109-G114 PolarHBondContact O-N 2.97Å
110	P	97.8	Very high	97.6	Very high	111 Å²	111	62.8 Å²	62.8	72%	0.721	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-57	-29.9	175.9	-26.9	36	0	0	0	113.7	L112 G113	P110-L112 PolarHBondContact O-N 3.28Å; P110-G113 PolarHBondContact O-N 3Å
111	Q	96.9	Very high	97.6	Very high	163 Å²	163	62.1 Å²	62.1	76%	0.762	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-64.9	-24	177.1	-64.8	77.7	10.2	0	0	112.8	T109 G113	T109-Q111 VanDerWaalsContact CB-OE1 3.28Å; T109-Q111 PolarHBondContact O-N 3.44Å; T109-Q111 VanDerWaalsContact O-N 3.16Å; T109-Q111 PolarHBondContact OG1-OE1 3.29Å; Q111-G113 VanDerWaalsContact C-N 3.33Å
112	L	96.3	Very high	97.6	Very high	32 Å²	32	66 Å²	66	17%	0.168	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-85.1	-8.2	175.1	-56.9	177	0	0	0	112.5	P108 T109 P110 W116 P118 T119 I192	P108-L112 HydrophobicContact CB-CD1 4.36Å; T109-L112 WeakPolarHBondContact O-CB 3.34Å; T109-L112 PolarHBondContact O-N 3.43Å; P110-L112 PolarHBondContact O-N 3.28Å; L112-W116 HydrophobicContact CD1-CE3 4.5Å; L112-W116 HydrophobicContact CD1-CZ3 4.26Å; L112-P118 HydrophobicContact CB-CB 3.97Å; L112-P118 HydrophobicContact CB-CG 4.23Å; L112-P118 HydrophobicContact CD1-CG 4.28Å; L112-P118 HydrophobicContact CD2-CB 4.03Å; L112-P118 HydrophobicContact CD2-CG 3.97Å; L112-P118 HydrophobicContact CG-CB 4.48Å; L112-P118 HydrophobicContact CG-CG 4.37Å; L112-T119 PolarHBondContact O-N 3.49Å; L112-T119 PolarHBondContact O-OG1 2.93Å; L112-I192 HydrophobicContact CD1-CG2 3.71Å; L112-I192 HydrophobicContact CD2-CG2 3.98Å
113	G	96.6	Very high	97.5	Very high	42 Å²	42	64.2 Å²	64.2	43%	0.433	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	8.2	-170	0	0	0	0	0	114.1	P110 Q111 H115	P110-G113 PolarHBondContact O-N 3Å; Q111-G113 VanDerWaalsContact C-N 3.33Å; G113-H115 VanDerWaalsContact C-N 3.27Å; G113-H115 PolarHBondContact O-N 3.35Å; G113-H115 PolarHBondContact O-ND1 2.92Å
114	G	96.2	Very high	97.4	Very high	49 Å²	49	59.4 Å²	59.4	51%	0.505	38%	0.377	S	S	.	.	S	Bend	trans	70.6	16.2	176.4	0	0	0	0	0	115.2	T109	T109-G114 PolarHBondContact O-N 2.97Å
115	H	96.9	Very high	97.4	Very high	94 Å²	94	61.7 Å²	61.7	44%	0.435	39%	0.387	S	S	.	.	S	Bend	trans	-143	168.1	176	61.6	-78.9	0	0	0	110.9	P108 G113 P117 T119	P108-H115 WeakPolarHBondContact CB-O 3.23Å; G113-H115 VanDerWaalsContact C-N 3.27Å; G113-H115 PolarHBondContact O-N 3.35Å; G113-H115 PolarHBondContact O-ND1 2.92Å; H115-P117 PolarHBondContact CD2-O 2.78Å; H115-T119 PolarHBondContact CE1-OG1 3.31Å; H115-T119 VanDerWaalsContact CE1-OG1 3.27Å
116	W	98.1	Very high	97.4	Very high	45 Å²	45	62.3 Å²	62.3	17%	0.17	39%	0.391	C	S	.	.	S	Bend	trans	-126.9	134	176.7	-167	-91.3	0	0	0	109.4	F101 P108 L112 P118 I192 Y193 G260	F101-W116 HydrophobicContact CD2-CZ2 4.35Å; F101-W116 AromaticContact CE2-CZ2 3.98Å; F101-W116 HydrophobicContact CE2-CZ2 3.98Å; P108-W116 HydrophobicContact CG-CB 3.81Å; L112-W116 HydrophobicContact CD1-CE3 4.5Å; L112-W116 HydrophobicContact CD1-CZ3 4.26Å; W116-P118 HydrophobicContact CE3-CG 4.14Å; W116-P118 HydrophobicContact CZ3-CG 4.08Å; W116-I192 HydrophobicContact CH2-CG2 4.08Å; W116-I192 HydrophobicContact CZ3-CG2 3.76Å; W116-Y193 AromaticContact CE2-CD2 3.8Å; W116-Y193 HydrophobicContact CH2-CD2 4.06Å; W116-Y193 AromaticContact CZ2-CD2 3.43Å; W116-Y193 HydrophobicContact CZ2-CD2 3.43Å; W116-Y193 VanDerWaalsContact CZ2-CD2 3.43Å; W116-Y193 HydrophobicContact CZ2-CE2 4.19Å; W116-Y193 HydrophobicContact CZ2-CG 4.26Å; W116-G260 VanDerWaalsContact CD1-O 3.23Å; W116-G260 PolarHBondContact NE1-O 3.1Å
117	P	98.1	Very high	97.3	Very high	24 Å²	24	62.4 Å²	62.4	16%	0.156	39%	0.392	C	S	.	.	S	Bend	cis	-61.8	159.4	-5.2	-19.9	31.4	0	0	0	113.7	H115 I121 P123 Y193 S261	H115-P117 PolarHBondContact CD2-O 2.78Å; P117-I121 HydrophobicContact CB-CB 4.45Å; P117-I121 HydrophobicContact CB-CG2 4.34Å; P117-P123 HydrophobicContact CB-CG 4.07Å; P117-P123 HydrophobicContact CG-CG 3.52Å; P117-Y193 HydrophobicContact CB-CD2 4.22Å; P117-Y193 HydrophobicContact CB-CE2 4.13Å; P117-Y193 HydrophobicContact CG-CE2 4.43Å; P117-S261 WeakPolarHBondContact CD-OXT 3.36Å; P117-S261 WeakPolarHBondContact CG-OXT 3.38Å
118	P	98.1	Very high	97.3	Very high	11 Å²	11	65 Å²	65	7%	0.071	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-61.1	150.9	177.6	-24.6	35.7	0	0	0	113.4	L112 W116 G120 I121	L112-P118 HydrophobicContact CB-CB 3.97Å; L112-P118 HydrophobicContact CB-CG 4.23Å; L112-P118 HydrophobicContact CD1-CG 4.28Å; L112-P118 HydrophobicContact CD2-CB 4.03Å; L112-P118 HydrophobicContact CD2-CG 3.97Å; L112-P118 HydrophobicContact CG-CB 4.48Å; L112-P118 HydrophobicContact CG-CG 4.37Å; W116-P118 HydrophobicContact CE3-CG 4.14Å; W116-P118 HydrophobicContact CZ3-CG 4.08Å; P118-G120 PolarHBondContact O-N 3.47Å; P118-I121 HydrophobicContact CB-CG1 4.17Å; P118-I121 HydrophobicContact CG-CG1 4.42Å; P118-I121 WeakPolarHBondContact O-CB 3.31Å; P118-I121 PolarHBondContact O-N 2.97Å; P118-I121 VanDerWaalsContact O-N 3.11Å
119	T	96.4	Very high	97.3	Very high	101 Å²	101	65.9 Å²	65.9	62%	0.62	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	126.1	175.2	-47.3	0	0	0	0	111.2	L112 H115	L112-T119 PolarHBondContact O-N 3.49Å; L112-T119 PolarHBondContact O-OG1 2.93Å; H115-T119 PolarHBondContact CE1-OG1 3.31Å; H115-T119 VanDerWaalsContact CE1-OG1 3.27Å
120	G	95.9	Very high	97.3	Very high	75 Å²	75	62.9 Å²	62.9	77%	0.773	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	-6.9	177	0	0	0	0	0	115	P118	P118-G120 PolarHBondContact O-N 3.47Å
121	I	98	Very high	97.3	Very high	30 Å²	30	61.2 Å²	61.2	15%	0.154	36%	0.363	C	S	.	.			trans	-83.8	131.4	168.5	-63.1	-62.5	0	0	0	109.3	P117 P118 P123 F186 D190 Y193	P117-I121 HydrophobicContact CB-CB 4.45Å; P117-I121 HydrophobicContact CB-CG2 4.34Å; P118-I121 HydrophobicContact CB-CG1 4.17Å; P118-I121 HydrophobicContact CG-CG1 4.42Å; P118-I121 WeakPolarHBondContact O-CB 3.31Å; P118-I121 PolarHBondContact O-N 2.97Å; P118-I121 VanDerWaalsContact O-N 3.11Å; I121-P123 HydrophobicContact CG2-CG 4.38Å; I121-P123 WeakPolarHBondContact O-CD 3.26Å; I121-F186 HydrophobicContact CD1-CB 4.12Å; I121-D190 HydrophobicContact CD1-CB 3.9Å; I121-Y193 HydrophobicContact CD1-CD1 4.43Å; I121-Y193 HydrophobicContact CG1-CD1 4.41Å; I121-Y193 HydrophobicContact CG1-CG 4.35Å; I121-Y193 HydrophobicContact CG2-CD1 3.54Å; I121-Y193 HydrophobicContact CG2-CD2 4.24Å; I121-Y193 HydrophobicContact CG2-CE1 3.59Å; I121-Y193 HydrophobicContact CG2-CE2 4.28Å; I121-Y193 HydrophobicContact CG2-CG 3.9Å
122	T	97.7	Very high	97.3	Very high	83 Å²	83	56.5 Å²	56.5	51%	0.509	34%	0.343	S	S	.	.			trans	-109.1	99.9	168.5	53.2	0	0	0	0	109	P185	T122-P185 VanDerWaalsContact O-CG 3.24Å; T122-P185 WeakPolarHBondContact O-CG 3.49Å; T122-P185 WeakPolarHBondContact OG1-CB 3.31Å; T122-P185 WeakPolarHBondContact OG1-CG 3.49Å
123	P	97.1	Very high	97.4	Very high	43 Å²	43	55 Å²	55	28%	0.279	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-62.2	159.4	179.2	-22	32.8	0	0	0	113	P117 I121 Y193 S261	P117-P123 HydrophobicContact CB-CG 4.07Å; P117-P123 HydrophobicContact CG-CG 3.52Å; I121-P123 HydrophobicContact CG2-CG 4.38Å; I121-P123 WeakPolarHBondContact O-CD 3.26Å; P123-Y193 WeakPolarHBondContact CB-OH 3.4Å; P123-S261 WeakPolarHBondContact CG-OXT 3.43Å
124	L	97.4	Very high	97.5	Very high	33 Å²	33	53.5 Å²	53.5	17%	0.173	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-73	148.5	170.8	-61.2	172.4	0	0	0	110.3	P126 E180 F186 F197 Y257	L124-P126 WeakPolarHBondContact O-CD 3.3Å; L124-E180 VanDerWaalsContact CD1-CD 3.43Å; L124-E180 HydrophobicContact CD1-CG 3.39Å; L124-F186 HydrophobicContact CG-CE1 4.17Å; L124-F186 HydrophobicContact CG-CZ 4.43Å; L124-F197 HydrophobicContact CD1-CE2 4.48Å; L124-F197 HydrophobicContact CD1-CZ 3.9Å; L124-Y257 HydrophobicContact CD1-CE1 4.08Å
125	N	97.8	Very high	97.6	Very high	69 Å²	69	54.1 Å²	54.1	37%	0.369	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-76.4	118.8	177.1	-177.6	-8.6	0	0	0	110.7	L127 E128 P130	N125-L127 PolarHBondContact O-N 2.93Å; N125-L127 VanDerWaalsContact O-N 3.08Å; N125-L127 PolarHBondContact OD1-N 3.4Å; N125-E128 HydrophobicContact CB-CB 4.45Å; N125-E128 HydrophobicContact CB-CG 3.95Å; N125-E128 WeakPolarHBondContact CB-OE1 3.39Å; N125-E128 PolarHBondContact ND2-OE1 3.46Å; N125-E128 PolarHBondContact O-N 3.49Å; N125-P130 WeakPolarHBondContact O-CD 3.49Å
126	P	97.2	Very high	97.6	Very high	20 Å²	20	50 Å²	50	13%	0.13	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.7	-178.7	18.3	-28.4	0	0	0	114.6	L124 L131 Y253 Y257 W258	L124-P126 WeakPolarHBondContact O-CD 3.3Å; P126-L131 WeakPolarHBondContact O-CB 3.48Å; P126-L131 PolarHBondContact O-N 3.12Å; P126-Y253 HydrophobicContact CB-CE2 4.28Å; P126-Y253 WeakPolarHBondContact O-CE2 3.46Å; P126-Y253 PolarHBondContact O-OH 2.89Å; P126-Y257 VanDerWaalsContact CB-O 3.24Å; P126-Y257 WeakPolarHBondContact CB-O 3.24Å; P126-Y257 WeakPolarHBondContact CG-O 3.27Å; P126-W258 HydrophobicContact CB-CB 4.28Å
127	L	97.9	Very high	97.6	Very high	119 Å²	119	48 Å²	48	62%	0.623	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.8	-176.9	-58.4	-179.6	0	0	0	113.5	N125 L131	N125-L127 PolarHBondContact O-N 2.93Å; N125-L127 VanDerWaalsContact O-N 3.08Å; N125-L127 PolarHBondContact OD1-N 3.4Å; L127-L131 HydrophobicContact CD2-CD2 4.44Å
128	E	97.4	Very high	97.6	Very high	123 Å²	123	50.9 Å²	50.9	58%	0.575	30%	0.302	S	S	*	.	S	Bend	trans	-96.2	-123.1	-179.9	-66.6	173.8	-161.8	0	0	111	N125 P130 L131 L132	N125-E128 HydrophobicContact CB-CB 4.45Å; N125-E128 HydrophobicContact CB-CG 3.95Å; N125-E128 WeakPolarHBondContact CB-OE1 3.39Å; N125-E128 PolarHBondContact ND2-OE1 3.46Å; N125-E128 PolarHBondContact O-N 3.49Å; E128-P130 VanDerWaalsContact C-CD 3.46Å; E128-P130 VanDerWaalsContact C-N 3.35Å; E128-L131 PolarHBondContact O-N 3.47Å; E128-L132 PolarHBondContact O-N 3.49Å
129	V	97	Very high	97.7	Very high	51 Å²	51	52.5 Å²	52.5	31%	0.309	32%	0.316	S	S	.	.	H	α-helix	trans	-56.4	-39.1	-179.9	-179.1	0	0	0	0	112.9	L131 L132 N133 L176	V129-L131 VanDerWaalsContact C-N 3.33Å; V129-L131 PolarHBondContact O-N 2.96Å; V129-L132 WeakPolarHBondContact O-CB 3.45Å; V129-L132 PolarHBondContact O-N 3.15Å; V129-L132 VanDerWaalsContact O-N 3.14Å; V129-N133 WeakPolarHBondContact O-CB 3.26Å; V129-N133 PolarHBondContact O-N 3.26Å; V129-L176 HydrophobicContact CG1-CB 4.18Å; V129-L176 HydrophobicContact CG1-CD2 4.44Å
130	P	97.6	Very high	97.8	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-39.5	176.8	-27.5	36.1	0	0	0	113.8	N125 E128 T134 E180 Y253 Y257	N125-P130 WeakPolarHBondContact O-CD 3.49Å; E128-P130 VanDerWaalsContact C-CD 3.46Å; E128-P130 VanDerWaalsContact C-N 3.35Å; P130-T134 PolarHBondContact O-N 3.38Å; P130-T134 PolarHBondContact O-OG1 2.95Å; P130-E180 WeakPolarHBondContact CG-OE2 3.48Å; P130-Y253 HydrophobicContact CB-CD2 4.01Å; P130-Y253 HydrophobicContact CB-CE2 3.81Å; P130-Y257 HydrophobicContact CB-CD1 3.71Å; P130-Y257 HydrophobicContact CB-CE1 4.1Å; P130-Y257 HydrophobicContact CB-CG 4.19Å; P130-Y257 HydrophobicContact CG-CD1 3.47Å; P130-Y257 VanDerWaalsContact CG-CD1 3.47Å; P130-Y257 HydrophobicContact CG-CE1 3.69Å; P130-Y257 HydrophobicContact CG-CG 4.41Å
131	L	98.1	Very high	97.9	Very high	76 Å²	76	44.5 Å²	44.5	40%	0.398	25%	0.254	S	S	.	.	H	α-helix	trans	-69.2	-40	176.1	-178.4	61.6	0	0	0	111.3	P126 L127 E128 V129 T134 S135	P126-L131 WeakPolarHBondContact O-CB 3.48Å; P126-L131 PolarHBondContact O-N 3.12Å; L127-L131 HydrophobicContact CD2-CD2 4.44Å; E128-L131 PolarHBondContact O-N 3.47Å; V129-L131 VanDerWaalsContact C-N 3.33Å; V129-L131 PolarHBondContact O-N 2.96Å; L131-T134 WeakPolarHBondContact O-CB 3.45Å; L131-T134 PolarHBondContact O-N 3.32Å; L131-S135 PolarHBondContact O-N 3.48Å
132	L	98.1	Very high	97.9	Very high	64 Å²	64	48.1 Å²	48.1	34%	0.335	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-48.9	174.4	177.3	61.2	0	0	0	111	E128 V129 T134 S135 V136 L176	E128-L132 PolarHBondContact O-N 3.49Å; V129-L132 WeakPolarHBondContact O-CB 3.45Å; V129-L132 PolarHBondContact O-N 3.15Å; V129-L132 VanDerWaalsContact O-N 3.14Å; L132-T134 VanDerWaalsContact C-N 3.25Å; L132-T134 PolarHBondContact O-N 3.08Å; L132-S135 WeakPolarHBondContact O-CB 3.48Å; L132-S135 PolarHBondContact O-N 3.22Å; L132-S135 PolarHBondContact O-OG 3.39Å; L132-V136 HydrophobicContact CD1-CG2 4.3Å; L132-V136 HydrophobicContact CG-CG2 4.46Å; L132-V136 VanDerWaalsContact O-CG2 3.31Å; L132-V136 WeakPolarHBondContact O-CG2 3.32Å; L132-V136 PolarHBondContact O-N 2.93Å; L132-L176 HydrophobicContact CD2-CD1 3.71Å; L132-L176 HydrophobicContact CD2-CD2 4.19Å; L132-L176 HydrophobicContact CG-CD1 3.89Å
133	N	97.8	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.4	-40.2	175.9	-91.1	-11.4	0	0	0	112.2	V129 V136 L137 F173 L176 Q177 W249	V129-N133 WeakPolarHBondContact O-CB 3.26Å; V129-N133 PolarHBondContact O-N 3.26Å; N133-V136 PolarHBondContact O-N 3.25Å; N133-L137 PolarHBondContact O-N 3.26Å; N133-F173 HydrophobicContact CB-CD2 3.69Å; N133-F173 HydrophobicContact CB-CE2 3.65Å; N133-L176 WeakPolarHBondContact OD1-CB 3.2Å; N133-L176 WeakPolarHBondContact OD1-CD1 3.42Å; N133-Q177 PolarHBondContact ND2-OE1 2.84Å; N133-W249 HydrophobicContact CB-CH2 4.14Å; N133-W249 HydrophobicContact CB-CZ2 3.51Å
134	T	98.2	Very high	98	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-46.3	173.4	-55.6	0	0	0	0	111.9	P130 L131 L132 V136 L138 W249 L250 Y253	P130-T134 PolarHBondContact O-N 3.38Å; P130-T134 PolarHBondContact O-OG1 2.95Å; L131-T134 WeakPolarHBondContact O-CB 3.45Å; L131-T134 PolarHBondContact O-N 3.32Å; L132-T134 VanDerWaalsContact C-N 3.25Å; L132-T134 PolarHBondContact O-N 3.08Å; T134-V136 VanDerWaalsContact C-N 3.31Å; T134-V136 PolarHBondContact O-N 3.27Å; T134-L138 HydrophobicContact CG2-CD1 4.08Å; T134-L138 WeakPolarHBondContact O-CB 3.3Å; T134-L138 VanDerWaalsContact O-CG 3.3Å; T134-L138 WeakPolarHBondContact O-CG 3.46Å; T134-L138 PolarHBondContact O-N 3.39Å; T134-L138 VanDerWaalsContact O-N 3.09Å; T134-W249 VanDerWaalsContact CA-NE1 3.33Å; T134-W249 PolarHBondContact OG1-NE1 2.96Å; T134-L250 HydrophobicContact CG2-CD2 3.83Å; T134-Y253 WeakPolarHBondContact OG1-CD2 3.16Å
135	S	98.4	Very high	98.1	Very high	63 Å²	63	43.7 Å²	43.7	44%	0.441	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-37	177.6	79	0	0	0	0	112.6	L131 L132 A139	L131-S135 PolarHBondContact O-N 3.48Å; L132-S135 WeakPolarHBondContact O-CB 3.48Å; L132-S135 PolarHBondContact O-N 3.22Å; L132-S135 PolarHBondContact O-OG 3.39Å; S135-A139 VanDerWaalsContact O-CB 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.12Å; S135-A139 PolarHBondContact O-N 2.8Å
136	V	98.4	Very high	98.2	Very high	7 Å²	7	45 Å²	45	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-48.1	-179.7	169.2	0	0	0	0	111	L132 N133 T134 A139 S140 L169 Y172 F173	L132-V136 HydrophobicContact CD1-CG2 4.3Å; L132-V136 HydrophobicContact CG-CG2 4.46Å; L132-V136 VanDerWaalsContact O-CG2 3.31Å; L132-V136 WeakPolarHBondContact O-CG2 3.32Å; L132-V136 PolarHBondContact O-N 2.93Å; N133-V136 PolarHBondContact O-N 3.25Å; T134-V136 VanDerWaalsContact C-N 3.31Å; T134-V136 PolarHBondContact O-N 3.27Å; V136-A139 PolarHBondContact O-N 2.99Å; V136-S140 WeakPolarHBondContact O-CB 3.46Å; V136-S140 PolarHBondContact O-N 3.2Å; V136-L169 HydrophobicContact CG1-CB 4.01Å; V136-L169 HydrophobicContact CG1-CD2 4.1Å; V136-L169 WeakPolarHBondContact CG1-O 3.31Å; V136-Y172 HydrophobicContact CG1-CD1 4.06Å; V136-Y172 HydrophobicContact CG2-CD1 3.59Å; V136-Y172 HydrophobicContact CG2-CE1 3.69Å; V136-F173 HydrophobicContact CG1-CB 4.08Å
137	L	97.8	Very high	98.2	Very high	2 Å²	2	44 Å²	44	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-44.4	178	-72.8	-176.5	0	0	0	111.8	N133 A139 S140 G141 F173 W242 W249	N133-L137 PolarHBondContact O-N 3.26Å; L137-A139 VanDerWaalsContact C-N 3.34Å; L137-A139 PolarHBondContact O-N 3.31Å; L137-S140 WeakPolarHBondContact O-CA 3.48Å; L137-S140 WeakPolarHBondContact O-CB 3.41Å; L137-S140 PolarHBondContact O-N 2.77Å; L137-S140 PolarHBondContact O-OG 3.39Å; L137-G141 PolarHBondContact O-N 2.87Å; L137-F173 HydrophobicContact CD1-CD2 3.69Å; L137-F173 HydrophobicContact CD1-CE2 3.45Å; L137-F173 VanDerWaalsContact CD1-CE2 3.45Å; L137-F173 HydrophobicContact CD1-CG 4.4Å; L137-F173 HydrophobicContact CD1-CZ 4.02Å; L137-F173 HydrophobicContact CD2-CB 4.28Å; L137-F173 HydrophobicContact CD2-CD2 4Å; L137-F173 HydrophobicContact CD2-CG 4.07Å; L137-F173 HydrophobicContact CG-CD2 3.56Å; L137-F173 HydrophobicContact CG-CE2 3.89Å; L137-F173 HydrophobicContact CG-CG 4.15Å; L137-W242 HydrophobicContact CD2-CZ2 4.37Å; L137-W249 HydrophobicContact CD1-CB 3.56Å; L137-W249 HydrophobicContact CD1-CD2 4.09Å; L137-W249 HydrophobicContact CD1-CG 3.5Å
138	L	98.3	Very high	98.3	Very high	85 Å²	85	40.7 Å²	40.7	45%	0.445	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-42.3	175.8	-70.2	176.5	0	0	0	112.5	T134 S140 G141 V142 L250	T134-L138 HydrophobicContact CG2-CD1 4.08Å; T134-L138 WeakPolarHBondContact O-CB 3.3Å; T134-L138 VanDerWaalsContact O-CG 3.3Å; T134-L138 WeakPolarHBondContact O-CG 3.46Å; T134-L138 PolarHBondContact O-N 3.39Å; T134-L138 VanDerWaalsContact O-N 3.09Å; L138-S140 VanDerWaalsContact C-N 3.29Å; L138-S140 PolarHBondContact O-N 3.46Å; L138-G141 PolarHBondContact O-N 3.31Å; L138-V142 PolarHBondContact O-N 3.38Å; L138-L250 HydrophobicContact CD2-CD1 4.33Å; L138-L250 HydrophobicContact CD2-CD2 4.35Å
139	A	98.6	Very high	98.3	Very high	46 Å²	46	39.5 Å²	39.5	38%	0.38	22%	0.22	S	C	.	.	H	α-helix	trans	-62.2	-38.8	174.4	0	0	0	0	0	111.7	S135 V136 L137 G141 V142 S143 L169	S135-A139 VanDerWaalsContact O-CB 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.12Å; S135-A139 PolarHBondContact O-N 2.8Å; V136-A139 PolarHBondContact O-N 2.99Å; L137-A139 VanDerWaalsContact C-N 3.34Å; L137-A139 PolarHBondContact O-N 3.31Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 3.21Å; A139-V142 PolarHBondContact O-N 2.87Å; A139-S143 PolarHBondContact O-N 3.02Å; A139-S143 PolarHBondContact O-OG 3.46Å; A139-L169 HydrophobicContact CB-CD1 4.13Å
140	S	98.6	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-34.1	176.5	83.9	0	0	0	0	112.6	V136 L137 L138 V142 S143 I144 W242	V136-S140 WeakPolarHBondContact O-CB 3.46Å; V136-S140 PolarHBondContact O-N 3.2Å; L137-S140 WeakPolarHBondContact O-CA 3.48Å; L137-S140 WeakPolarHBondContact O-CB 3.41Å; L137-S140 PolarHBondContact O-N 2.77Å; L137-S140 PolarHBondContact O-OG 3.39Å; L138-S140 VanDerWaalsContact C-N 3.29Å; L138-S140 PolarHBondContact O-N 3.46Å; S140-V142 VanDerWaalsContact C-N 3.32Å; S140-V142 PolarHBondContact O-N 2.89Å; S140-S143 WeakPolarHBondContact CA-OG 3.37Å; S140-S143 PolarHBondContact O-N 2.88Å; S140-S143 PolarHBondContact O-OG 3.33Å; S140-I144 WeakPolarHBondContact O-CG2 3.46Å; S140-I144 PolarHBondContact O-N 2.8Å; S140-W242 PolarHBondContact OG-NE1 3.33Å
141	G	98.3	Very high	98.4	Very high	8 Å²	8	37.5 Å²	37.5	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-36.1	171.8	0	0	0	0	0	112.9	L137 L138 A139 I144 T145	L137-G141 PolarHBondContact O-N 2.87Å; L138-G141 PolarHBondContact O-N 3.31Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 3.21Å; G141-I144 VanDerWaalsContact O-CG2 3.3Å; G141-I144 WeakPolarHBondContact O-CG2 3.28Å; G141-T145 WeakPolarHBondContact O-CB 3.36Å; G141-T145 PolarHBondContact O-N 2.88Å; G141-T145 PolarHBondContact O-OG1 2.92Å
142	V	98.7	Very high	98.4	Very high	105 Å²	105	37.8 Å²	37.8	64%	0.636	21%	0.208	S	C	*	.	H	α-helix	trans	-70.3	-46.2	172.8	178.8	0	0	0	0	110.9	L138 A139 S140 I144 T145 W146	L138-V142 PolarHBondContact O-N 3.38Å; A139-V142 PolarHBondContact O-N 2.87Å; S140-V142 VanDerWaalsContact C-N 3.32Å; S140-V142 PolarHBondContact O-N 2.89Å; V142-I144 PolarHBondContact O-N 3.44Å; V142-T145 WeakPolarHBondContact O-CB 3.18Å; V142-T145 PolarHBondContact O-N 3.49Å; V142-W146 PolarHBondContact O-N 3.43Å
143	S	98.7	Very high	98.5	Very high	8 Å²	8	41.5 Å²	41.5	6%	0.056	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-34.6	-178.2	60.7	0	0	0	0	113.1	A139 S140 W146 A147 T166	A139-S143 PolarHBondContact O-N 3.02Å; A139-S143 PolarHBondContact O-OG 3.46Å; S140-S143 WeakPolarHBondContact CA-OG 3.37Å; S140-S143 PolarHBondContact O-N 2.88Å; S140-S143 PolarHBondContact O-OG 3.33Å; S143-W146 WeakPolarHBondContact O-CB 3.43Å; S143-W146 PolarHBondContact O-N 2.93Å; S143-A147 PolarHBondContact O-N 2.86Å; S143-T166 WeakPolarHBondContact CB-OG1 3.49Å; S143-T166 PolarHBondContact OG-OG1 2.99Å
144	I	98.8	Very high	98.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-70.2	-34.8	174.9	-164.3	168.5	0	0	0	111.9	S140 G141 V142 W146 A147 H148 T166 L215 F235 A239 W242	S140-I144 WeakPolarHBondContact O-CG2 3.46Å; S140-I144 PolarHBondContact O-N 2.8Å; G141-I144 VanDerWaalsContact O-CG2 3.3Å; G141-I144 WeakPolarHBondContact O-CG2 3.28Å; V142-I144 PolarHBondContact O-N 3.44Å; I144-W146 VanDerWaalsContact C-N 3.35Å; I144-A147 WeakPolarHBondContact O-CB 3.4Å; I144-A147 PolarHBondContact O-N 2.96Å; I144-H148 PolarHBondContact O-N 3.46Å; I144-T166 HydrophobicContact CB-CG2 3.85Å; I144-T166 HydrophobicContact CD1-CG2 4.35Å; I144-T166 HydrophobicContact CG1-CG2 4.41Å; I144-T166 PolarHBondContact N-OG1 2.84Å; I144-L215 HydrophobicContact CD1-CD1 4.21Å; I144-L215 HydrophobicContact CD1-CD2 3.46Å; I144-L215 VanDerWaalsContact CD1-CD2 3.46Å; I144-L215 HydrophobicContact CD1-CG 4.48Å; I144-L215 HydrophobicContact CG1-CD2 4.49Å; I144-F235 HydrophobicContact CG1-CZ 4.19Å; I144-A239 HydrophobicContact CD1-CB 3.83Å; I144-A239 HydrophobicContact CG1-CB 4.19Å; I144-W242 HydrophobicContact CD1-CB 3.85Å; I144-W242 HydrophobicContact CD1-CG 4.02Å
145	T	98.7	Very high	98.4	Very high	58 Å²	58	50 Å²	50	36%	0.356	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-43.3	173.1	-60	0	0	0	0	110.5	G141 V142 A147 H148 H149	G141-T145 WeakPolarHBondContact O-CB 3.36Å; G141-T145 PolarHBondContact O-N 2.88Å; G141-T145 PolarHBondContact O-OG1 2.92Å; V142-T145 WeakPolarHBondContact O-CB 3.18Å; V142-T145 PolarHBondContact O-N 3.49Å; T145-A147 VanDerWaalsContact C-N 3.35Å; T145-A147 PolarHBondContact O-N 2.89Å; T145-H148 WeakPolarHBondContact O-CB 3.39Å; T145-H148 PolarHBondContact O-N 3.4Å; T145-H149 PolarHBondContact O-CD2 3.49Å; T145-H149 VanDerWaalsContact O-CD2 3.29Å; T145-H149 PolarHBondContact O-N 3.16Å
146	W	98.8	Very high	98.4	Very high	96 Å²	96	50 Å²	50	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-42	172.3	171.7	33.9	0	0	0	112.7	V142 S143 I144 H148 H149 S150 Q161 A162 I165	V142-W146 PolarHBondContact O-N 3.43Å; S143-W146 WeakPolarHBondContact O-CB 3.43Å; S143-W146 PolarHBondContact O-N 2.93Å; I144-W146 VanDerWaalsContact C-N 3.35Å; W146-H148 VanDerWaalsContact C-N 3.29Å; W146-H148 PolarHBondContact O-N 2.99Å; W146-H149 PolarHBondContact O-N 3.41Å; W146-S150 PolarHBondContact NE1-OG 3.34Å; W146-S150 WeakPolarHBondContact O-CB 3.22Å; W146-S150 PolarHBondContact O-N 3.46Å; W146-S150 PolarHBondContact O-OG 2.93Å; W146-Q161 HydrophobicContact CH2-CG 4.3Å; W146-A162 HydrophobicContact CB-CB 4.32Å; W146-A162 HydrophobicContact CD2-CB 3.43Å; W146-A162 VanDerWaalsContact CD2-CB 3.43Å; W146-A162 HydrophobicContact CE3-CB 3.29Å; W146-A162 HydrophobicContact CG-CB 3.89Å; W146-A162 HydrophobicContact CH2-CB 4.48Å; W146-A162 HydrophobicContact CZ3-CB 3.84Å; W146-I165 HydrophobicContact CH2-CD1 4.5Å; W146-I165 HydrophobicContact CZ3-CD1 3.86Å
147	A	98.8	Very high	98.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-41	174.6	0	0	0	0	0	111.5	S143 I144 T145 S150 L151 M159 A162 L163 F235	S143-A147 PolarHBondContact O-N 2.86Å; I144-A147 WeakPolarHBondContact O-CB 3.4Å; I144-A147 PolarHBondContact O-N 2.96Å; T145-A147 VanDerWaalsContact C-N 3.35Å; T145-A147 PolarHBondContact O-N 2.89Å; A147-S150 PolarHBondContact O-N 3.01Å; A147-L151 WeakPolarHBondContact O-CB 3.34Å; A147-L151 PolarHBondContact O-N 3.23Å; A147-M159 WeakPolarHBondContact O-CG 3.35Å; A147-A162 HydrophobicContact CB-CB 3.67Å; A147-L163 HydrophobicContact CB-CB 4.22Å; A147-F235 HydrophobicContact CB-CE2 4.32Å; A147-F235 HydrophobicContact CB-CZ 3.98Å
148	H	98.7	Very high	98.4	Very high	49 Å²	49	58.4 Å²	58.4	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-49.5	178.5	-166.6	-168.1	0	0	0	112.4	I144 T145 W146 S150 L151 M152 H232 F235	I144-H148 PolarHBondContact O-N 3.46Å; T145-H148 WeakPolarHBondContact O-CB 3.39Å; T145-H148 PolarHBondContact O-N 3.4Å; W146-H148 VanDerWaalsContact C-N 3.29Å; W146-H148 PolarHBondContact O-N 2.99Å; H148-S150 VanDerWaalsContact C-N 3.32Å; H148-S150 PolarHBondContact O-N 3.42Å; H148-L151 WeakPolarHBondContact O-CB 3.29Å; H148-L151 PolarHBondContact O-N 3.47Å; H148-L151 VanDerWaalsContact O-N 3.16Å; H148-M152 PolarHBondContact O-N 3.17Å; H148-H232 AromaticContact NE2-NE2 3.68Å; H148-F235 HydrophobicContact CB-CE1 3.59Å; H148-F235 HydrophobicContact CB-CZ 4.12Å; H148-F235 AromaticContact CD2-CE1 3.74Å; H148-F235 AromaticContact CG-CE1 3.74Å
149	H	98.5	Very high	98.4	Very high	97 Å²	97	54.4 Å²	54.4	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-44	176.6	-81.1	-76.9	0	0	0	111.6	T145 W146 L151 M152 E153	T145-H149 PolarHBondContact O-CD2 3.49Å; T145-H149 VanDerWaalsContact O-CD2 3.29Å; T145-H149 PolarHBondContact O-N 3.16Å; W146-H149 PolarHBondContact O-N 3.41Å; H149-L151 VanDerWaalsContact C-N 3.27Å; H149-L151 PolarHBondContact O-N 3Å; H149-M152 PolarHBondContact O-N 3.12Å; H149-E153 WeakPolarHBondContact O-CB 3.4Å; H149-E153 WeakPolarHBondContact O-CG 3.45Å; H149-E153 PolarHBondContact O-N 3.1Å
150	S	98.6	Very high	98.4	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-36.4	176.6	-58.5	0	0	0	0	112.4	W146 A147 H148 N154 N155 Q158	W146-S150 PolarHBondContact NE1-OG 3.34Å; W146-S150 WeakPolarHBondContact O-CB 3.22Å; W146-S150 PolarHBondContact O-N 3.46Å; W146-S150 PolarHBondContact O-OG 2.93Å; A147-S150 PolarHBondContact O-N 3.01Å; H148-S150 VanDerWaalsContact C-N 3.32Å; H148-S150 PolarHBondContact O-N 3.42Å; S150-N154 PolarHBondContact O-N 3.35Å; S150-N154 VanDerWaalsContact O-N 3.17Å; S150-N155 PolarHBondContact O-N 2.66Å; S150-Q158 WeakPolarHBondContact OG-CB 3.15Å
151	L	98.4	Very high	98.4	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-66.2	-44.2	175.7	-176.4	58.7	0	0	0	112	A147 H148 H149 E153 N154 M159 F227 H232 F235	A147-L151 WeakPolarHBondContact O-CB 3.34Å; A147-L151 PolarHBondContact O-N 3.23Å; H148-L151 WeakPolarHBondContact O-CB 3.29Å; H148-L151 PolarHBondContact O-N 3.47Å; H148-L151 VanDerWaalsContact O-N 3.16Å; H149-L151 VanDerWaalsContact C-N 3.27Å; H149-L151 PolarHBondContact O-N 3Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-N154 PolarHBondContact O-N 3.29Å; L151-N154 VanDerWaalsContact O-N 3.17Å; L151-M159 HydrophobicContact CB-CG 3.82Å; L151-M159 HydrophobicContact CD1-CE 4.49Å; L151-M159 HydrophobicContact CD1-CG 4.24Å; L151-M159 HydrophobicContact CD2-CE 4.22Å; L151-F227 HydrophobicContact CD1-CB 4.02Å; L151-F227 HydrophobicContact CD2-CB 4.49Å; L151-H232 HydrophobicContact CD2-CB 3.66Å; L151-H232 VanDerWaalsContact CD2-CG 3.47Å; L151-F235 HydrophobicContact CD2-CB 4.33Å; L151-F235 HydrophobicContact CD2-CD1 3.98Å; L151-F235 HydrophobicContact CD2-CG 4.07Å
152	M	98.3	Very high	98.4	Very high	83 Å²	83	58.1 Å²	58.1	41%	0.409	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-35.4	177.9	-67.5	-169.9	-68.5	0	0	112.3	H148 H149 N154 S229	H148-M152 PolarHBondContact O-N 3.17Å; H149-M152 PolarHBondContact O-N 3.12Å; M152-N154 PolarHBondContact O-N 2.99Å; M152-S229 WeakPolarHBondContact O-CB 3.47Å
153	E	98.3	Very high	98.4	Very high	141 Å²	141	53.1 Å²	53.1	66%	0.659	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	2.1	175	-68.4	175.5	-169.2	0	0	113.4	H149 L151 N155	H149-E153 WeakPolarHBondContact O-CB 3.4Å; H149-E153 WeakPolarHBondContact O-CG 3.45Å; H149-E153 PolarHBondContact O-N 3.1Å; L151-E153 VanDerWaalsContact C-N 3.34Å; E153-N155 PolarHBondContact O-N 3.45Å
154	N	96.8	Very high	98.4	Very high	123 Å²	123	56.3 Å²	56.3	66%	0.658	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	25	-178.8	-160.4	43.4	0	0	0	113.9	S150 L151 M152 R156	S150-N154 PolarHBondContact O-N 3.35Å; S150-N154 VanDerWaalsContact O-N 3.17Å; L151-N154 PolarHBondContact O-N 3.29Å; L151-N154 VanDerWaalsContact O-N 3.17Å; M152-N154 PolarHBondContact O-N 2.99Å; N154-R156 PolarHBondContact O-N 3.47Å
155	N	98.2	Very high	98.4	Very high	68 Å²	68	59.2 Å²	59.2	36%	0.364	29%	0.29	S	S	.	.			trans	-88.1	88	174.9	-168.3	-23.6	0	0	0	110.6	S150 E153 N157 Q158 M159	S150-N155 PolarHBondContact O-N 2.66Å; E153-N155 PolarHBondContact O-N 3.45Å; N155-N157 PolarHBondContact O-N 3.27Å; N155-Q158 HydrophobicContact CB-CB 4.33Å; N155-Q158 VanDerWaalsContact ND2-CG 3.31Å; N155-Q158 WeakPolarHBondContact ND2-CG 3.3Å; N155-Q158 PolarHBondContact O-N 3.19Å; N155-Q158 WeakPolarHBondContact OD1-CG 3.36Å; N155-Q158 PolarHBondContact OD1-N 3.47Å; N155-M159 WeakPolarHBondContact O-CB 3.37Å; N155-M159 PolarHBondContact O-N 3.2Å
156	R	97.6	Very high	98.5	Very high	63 Å²	63	56.5 Å²	56.5	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-43.5	-173.8	-179.8	177.2	174.4	92.4	-3.3	113.7	N154 M159 I160 Q222 L223 F225	N154-R156 PolarHBondContact O-N 3.47Å; R156-M159 PolarHBondContact O-N 2.92Å; R156-I160 HydrophobicContact CG-CD1 3.72Å; R156-I160 HydrophobicContact CG-CG1 4.46Å; R156-I160 VanDerWaalsContact O-CG1 3.29Å; R156-I160 WeakPolarHBondContact O-CG1 3.39Å; R156-I160 PolarHBondContact O-N 3.37Å; R156-Q222 PolarHBondContact NH1-O 3.23Å; R156-Q222 PolarHBondContact NH2-O 3.49Å; R156-L223 PolarHBondContact NH2-O 2.97Å; R156-F225 VanDerWaalsContact NH1-CG 3.35Å; R156-F225 VanDerWaalsContact NH2-CZ 3.29Å
157	N	98.1	Very high	98.5	Very high	124 Å²	124	52.5 Å²	52.5	66%	0.663	26%	0.258	S	S	*	.	H	α-helix	trans	-64.5	-44.7	-176.8	-70.5	-13.1	0	0	0	110.7	N155 I160 Q161	N155-N157 PolarHBondContact O-N 3.27Å; N157-I160 PolarHBondContact O-N 2.95Å; N157-Q161 WeakPolarHBondContact O-CB 3.48Å; N157-Q161 PolarHBondContact O-N 3.31Å
158	Q	98.5	Very high	98.5	Very high	61 Å²	61	57.1 Å²	57.1	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-40.4	178.4	-65.7	-60.7	-11.2	0	0	112.2	S150 N155 I160 Q161 A162	S150-Q158 WeakPolarHBondContact OG-CB 3.15Å; N155-Q158 HydrophobicContact CB-CB 4.33Å; N155-Q158 VanDerWaalsContact ND2-CG 3.31Å; N155-Q158 WeakPolarHBondContact ND2-CG 3.3Å; N155-Q158 PolarHBondContact O-N 3.19Å; N155-Q158 WeakPolarHBondContact OD1-CG 3.36Å; N155-Q158 PolarHBondContact OD1-N 3.47Å; Q158-I160 PolarHBondContact O-N 2.99Å; Q158-Q161 PolarHBondContact O-N 3.46Å; Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 3.25Å
159	M	98.5	Very high	98.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-47.7	175	-171.9	-74.1	-177.2	0	0	111.5	A147 L151 N155 R156 L163 Q222 F227 F235	A147-M159 WeakPolarHBondContact O-CG 3.35Å; L151-M159 HydrophobicContact CB-CG 3.82Å; L151-M159 HydrophobicContact CD1-CE 4.49Å; L151-M159 HydrophobicContact CD1-CG 4.24Å; L151-M159 HydrophobicContact CD2-CE 4.22Å; N155-M159 WeakPolarHBondContact O-CB 3.37Å; N155-M159 PolarHBondContact O-N 3.2Å; R156-M159 PolarHBondContact O-N 2.92Å; M159-L163 HydrophobicContact CE-CD2 3.75Å; M159-L163 WeakPolarHBondContact O-CB 3.34Å; M159-L163 PolarHBondContact O-N 3.17Å; M159-L163 HydrophobicContact SD-CB 4.43Å; M159-L163 HydrophobicContact SD-CD2 4.17Å; M159-Q222 HydrophobicContact CE-CB 4.04Å; M159-Q222 HydrophobicContact CE-CG 4.03Å; M159-Q222 HydrophobicContact SD-CB 3.96Å; M159-Q222 VanDerWaalsContact SD-CD 3.53Å; M159-Q222 HydrophobicContact SD-CG 3.38Å; M159-Q222 WeakPolarHBondContact SD-CG 3.48Å; M159-F227 HydrophobicContact CE-CD2 4.46Å; M159-F235 HydrophobicContact CE-CD2 3.73Å; M159-F235 HydrophobicContact CE-CE2 3.78Å
160	I	98.7	Very high	98.5	Very high	35 Å²	35	52 Å²	52	18%	0.179	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-46.8	179.1	-70	168.6	0	0	0	110.7	R156 N157 Q158 L164 F219 Q222 L223	R156-I160 HydrophobicContact CG-CD1 3.72Å; R156-I160 HydrophobicContact CG-CG1 4.46Å; R156-I160 VanDerWaalsContact O-CG1 3.29Å; R156-I160 WeakPolarHBondContact O-CG1 3.39Å; R156-I160 PolarHBondContact O-N 3.37Å; N157-I160 PolarHBondContact O-N 2.95Å; Q158-I160 PolarHBondContact O-N 2.99Å; I160-L164 WeakPolarHBondContact O-CB 3.44Å; I160-L164 PolarHBondContact O-N 2.88Å; I160-F219 HydrophobicContact CB-CE2 4.5Å; I160-F219 HydrophobicContact CG2-CE2 3.63Å; I160-F219 HydrophobicContact CG2-CZ 4.08Å; I160-Q222 HydrophobicContact CD1-CG 4.41Å; I160-Q222 HydrophobicContact CG1-CG 3.78Å; I160-L223 HydrophobicContact CD1-CD2 3.78Å; I160-L223 HydrophobicContact CG1-CD2 4.24Å; I160-L223 HydrophobicContact CG2-CD2 4.31Å
161	Q	98.8	Very high	98.5	Very high	98 Å²	98	56 Å²	56	46%	0.458	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-50.9	179.9	178.9	177.9	-8.5	0	0	111.7	W146 N157 Q158 L163 L164 I165	W146-Q161 HydrophobicContact CH2-CG 4.3Å; N157-Q161 WeakPolarHBondContact O-CB 3.48Å; N157-Q161 PolarHBondContact O-N 3.31Å; Q158-Q161 PolarHBondContact O-N 3.46Å; Q161-L163 PolarHBondContact O-N 3.29Å; Q161-L164 PolarHBondContact O-N 3.2Å; Q161-I165 HydrophobicContact CG-CD1 4.04Å; Q161-I165 WeakPolarHBondContact O-CG1 3.43Å; Q161-I165 PolarHBondContact O-N 3.39Å
162	A	98.8	Very high	98.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-40.9	-178.1	0	0	0	0	0	112.3	W146 A147 Q158 I165 T166	W146-A162 HydrophobicContact CB-CB 4.32Å; W146-A162 HydrophobicContact CD2-CB 3.43Å; W146-A162 VanDerWaalsContact CD2-CB 3.43Å; W146-A162 HydrophobicContact CE3-CB 3.29Å; W146-A162 HydrophobicContact CG-CB 3.89Å; W146-A162 HydrophobicContact CH2-CB 4.48Å; W146-A162 HydrophobicContact CZ3-CB 3.84Å; A147-A162 HydrophobicContact CB-CB 3.67Å; Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 3.25Å; A162-I165 PolarHBondContact O-N 2.86Å; A162-T166 PolarHBondContact O-N 3.42Å; A162-T166 PolarHBondContact O-OG1 2.9Å
163	L	98.8	Very high	98.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-39.2	176.6	-176.8	54.6	0	0	0	111.8	A147 M159 Q161 T166 I167 L215 C218 F219 F235	A147-L163 HydrophobicContact CB-CB 4.22Å; M159-L163 HydrophobicContact CE-CD2 3.75Å; M159-L163 WeakPolarHBondContact O-CB 3.34Å; M159-L163 PolarHBondContact O-N 3.17Å; M159-L163 HydrophobicContact SD-CB 4.43Å; M159-L163 HydrophobicContact SD-CD2 4.17Å; Q161-L163 PolarHBondContact O-N 3.29Å; L163-T166 WeakPolarHBondContact O-CB 3.44Å; L163-T166 PolarHBondContact O-N 2.95Å; L163-I167 HydrophobicContact CD1-CD1 4.37Å; L163-I167 HydrophobicContact CG-CD1 4.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.38Å; L163-I167 PolarHBondContact O-N 3.33Å; L163-L215 HydrophobicContact CD1-CB 4.22Å; L163-L215 HydrophobicContact CD1-CD2 4Å; L163-C218 HydrophobicContact CD2-CB 4.33Å; L163-F219 HydrophobicContact CB-CD2 4.38Å; L163-F219 HydrophobicContact CD2-CB 3.82Å; L163-F219 HydrophobicContact CD2-CD2 4.19Å; L163-F219 HydrophobicContact CG-CB 4.18Å; L163-F219 HydrophobicContact CG-CD2 4.15Å; L163-F235 HydrophobicContact CD1-CE2 4.22Å; L163-F235 HydrophobicContact CD2-CE2 4.33Å
164	L	98.8	Very high	98.5	Very high	74 Å²	74	51.9 Å²	51.9	39%	0.387	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-44.6	174.6	-179	61.6	0	0	0	111.6	I160 Q161 T166 I167 L168 F219	I160-L164 WeakPolarHBondContact O-CB 3.44Å; I160-L164 PolarHBondContact O-N 2.88Å; Q161-L164 PolarHBondContact O-N 3.2Å; L164-T166 VanDerWaalsContact C-N 3.31Å; L164-T166 PolarHBondContact O-N 3.07Å; L164-I167 PolarHBondContact O-N 3.01Å; L164-L168 HydrophobicContact CD1-CD1 4.43Å; L164-L168 HydrophobicContact CD1-CG 4.34Å; L164-L168 HydrophobicContact CG-CD1 4.17Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 2.84Å; L164-F219 HydrophobicContact CB-CE2 3.94Å; L164-F219 HydrophobicContact CD1-CE2 4.5Å; L164-F219 HydrophobicContact CD1-CZ 4.4Å
165	I	98.9	Very high	98.6	Very high	63 Å²	63	51.9 Å²	51.9	32%	0.323	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-46	175.7	-70.2	163.7	0	0	0	110.5	W146 Q161 A162 I167 L168 L169	W146-I165 HydrophobicContact CH2-CD1 4.5Å; W146-I165 HydrophobicContact CZ3-CD1 3.86Å; Q161-I165 HydrophobicContact CG-CD1 4.04Å; Q161-I165 WeakPolarHBondContact O-CG1 3.43Å; Q161-I165 PolarHBondContact O-N 3.39Å; A162-I165 PolarHBondContact O-N 2.86Å; I165-I167 VanDerWaalsContact C-N 3.35Å; I165-I167 PolarHBondContact O-N 2.93Å; I165-L168 PolarHBondContact O-N 3.25Å; I165-L169 HydrophobicContact CG2-CD1 3.9Å; I165-L169 HydrophobicContact CG2-CG 4.38Å; I165-L169 WeakPolarHBondContact O-CG 3.44Å; I165-L169 PolarHBondContact O-N 2.99Å
166	T	98.8	Very high	98.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-47.1	178	-51.5	0	0	0	0	111.5	S143 I144 A162 L163 L164 L168 L169 G170 L215	S143-T166 WeakPolarHBondContact CB-OG1 3.49Å; S143-T166 PolarHBondContact OG-OG1 2.99Å; I144-T166 HydrophobicContact CB-CG2 3.85Å; I144-T166 HydrophobicContact CD1-CG2 4.35Å; I144-T166 HydrophobicContact CG1-CG2 4.41Å; I144-T166 PolarHBondContact N-OG1 2.84Å; A162-T166 PolarHBondContact O-N 3.42Å; A162-T166 PolarHBondContact O-OG1 2.9Å; L163-T166 WeakPolarHBondContact O-CB 3.44Å; L163-T166 PolarHBondContact O-N 2.95Å; L164-T166 VanDerWaalsContact C-N 3.31Å; L164-T166 PolarHBondContact O-N 3.07Å; T166-L168 PolarHBondContact O-N 2.89Å; T166-L169 PolarHBondContact O-N 3.2Å; T166-G170 PolarHBondContact O-N 2.99Å; T166-L215 HydrophobicContact CG2-CD1 3.76Å
167	I	98.8	Very high	98.7	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-43.5	179.2	-67.3	162.2	0	0	0	110.9	L163 L164 I165 L169 G170 L171 L215 F219	L163-I167 HydrophobicContact CD1-CD1 4.37Å; L163-I167 HydrophobicContact CG-CD1 4.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.38Å; L163-I167 PolarHBondContact O-N 3.33Å; L164-I167 PolarHBondContact O-N 3.01Å; I165-I167 VanDerWaalsContact C-N 3.35Å; I165-I167 PolarHBondContact O-N 2.93Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-L169 PolarHBondContact O-N 2.75Å; I167-G170 PolarHBondContact O-N 3.48Å; I167-L171 HydrophobicContact CG2-CD1 4.26Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 3.35Å; I167-L215 HydrophobicContact CD1-CB 4.3Å; I167-L215 HydrophobicContact CG1-CB 3.8Å; I167-F219 HydrophobicContact CD1-CB 3.77Å; I167-F219 HydrophobicContact CD1-CD2 4.47Å; I167-F219 HydrophobicContact CD1-CG 4.19Å
168	L	98.8	Very high	98.7	Very high	98 Å²	98	44 Å²	44	51%	0.513	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-38.5	178.6	-68.7	175.9	0	0	0	112.1	L164 I165 T166 L171 Y172	L164-L168 HydrophobicContact CD1-CD1 4.43Å; L164-L168 HydrophobicContact CD1-CG 4.34Å; L164-L168 HydrophobicContact CG-CD1 4.17Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 2.84Å; I165-L168 PolarHBondContact O-N 3.25Å; T166-L168 PolarHBondContact O-N 2.89Å; L168-L171 PolarHBondContact O-N 2.96Å; L168-Y172 WeakPolarHBondContact O-CB 3.44Å; L168-Y172 PolarHBondContact O-N 3.44Å
169	L	98.8	Very high	98.7	Very high	39 Å²	39	44.4 Å²	44.4	20%	0.204	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-41	174.2	-70.6	170.8	0	0	0	111.7	V136 A139 I165 T166 I167 Y172 F173	V136-L169 HydrophobicContact CG1-CB 4.01Å; V136-L169 HydrophobicContact CG1-CD2 4.1Å; V136-L169 WeakPolarHBondContact CG1-O 3.31Å; A139-L169 HydrophobicContact CB-CD1 4.13Å; I165-L169 HydrophobicContact CG2-CD1 3.9Å; I165-L169 HydrophobicContact CG2-CG 4.38Å; I165-L169 WeakPolarHBondContact O-CG 3.44Å; I165-L169 PolarHBondContact O-N 2.99Å; T166-L169 PolarHBondContact O-N 3.2Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-L169 PolarHBondContact O-N 2.75Å; L169-Y172 WeakPolarHBondContact O-CB 3.39Å; L169-Y172 PolarHBondContact O-N 3.05Å; L169-F173 PolarHBondContact O-N 3.42Å
170	G	98.6	Very high	98.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-41.5	174	0	0	0	0	0	113.6	T166 I167 Y172 T174	T166-G170 PolarHBondContact O-N 2.99Å; I167-G170 PolarHBondContact O-N 3.48Å; G170-Y172 VanDerWaalsContact C-N 3.35Å; G170-T174 PolarHBondContact O-N 2.88Å; G170-T174 VanDerWaalsContact O-N 3.09Å; G170-T174 PolarHBondContact O-OG1 3.42Å
171	L	98.5	Very high	98.6	Very high	89 Å²	89	46.4 Å²	46.4	47%	0.466	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-40.9	172.7	-70.9	174.6	0	0	0	111.5	I167 L168 T174 L175	I167-L171 HydrophobicContact CG2-CD1 4.26Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 3.35Å; L168-L171 PolarHBondContact O-N 2.96Å; L171-T174 WeakPolarHBondContact O-CB 3.45Å; L171-T174 PolarHBondContact O-N 3.42Å; L171-L175 WeakPolarHBondContact O-CG 3.44Å; L171-L175 PolarHBondContact O-N 3.15Å
172	Y	98.8	Very high	98.6	Very high	104 Å²	104	50 Å²	50	41%	0.408	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-46.1	177.9	-177.7	-127.3	0	0	0	112	V136 L168 L169 G170 T174 L175 L176	V136-Y172 HydrophobicContact CG1-CD1 4.06Å; V136-Y172 HydrophobicContact CG2-CD1 3.59Å; V136-Y172 HydrophobicContact CG2-CE1 3.69Å; L168-Y172 WeakPolarHBondContact O-CB 3.44Å; L168-Y172 PolarHBondContact O-N 3.44Å; L169-Y172 WeakPolarHBondContact O-CB 3.39Å; L169-Y172 PolarHBondContact O-N 3.05Å; G170-Y172 VanDerWaalsContact C-N 3.35Å; Y172-T174 VanDerWaalsContact C-N 3.29Å; Y172-T174 PolarHBondContact O-N 3.03Å; Y172-L175 PolarHBondContact O-N 3.39Å; Y172-L176 HydrophobicContact CD1-CD1 4.01Å; Y172-L176 HydrophobicContact CD2-CD1 4.46Å; Y172-L176 HydrophobicContact CD2-CG 4.31Å; Y172-L176 HydrophobicContact CE1-CD1 3.59Å; Y172-L176 HydrophobicContact CE1-CG 4.37Å; Y172-L176 HydrophobicContact CE2-CD1 4.07Å; Y172-L176 HydrophobicContact CE2-CD2 4.1Å; Y172-L176 HydrophobicContact CE2-CG 3.94Å; Y172-L176 HydrophobicContact CG-CD1 4.43Å; Y172-L176 WeakPolarHBondContact O-CG 3.39Å; Y172-L176 PolarHBondContact O-N 3.33Å
173	F	98.8	Very high	98.6	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-54.1	-46.4	171.5	174.3	-82.2	0	0	0	111.5	N133 V136 L137 L169 L175 L176 Q177 H204 V208 W249	N133-F173 HydrophobicContact CB-CD2 3.69Å; N133-F173 HydrophobicContact CB-CE2 3.65Å; V136-F173 HydrophobicContact CG1-CB 4.08Å; L137-F173 HydrophobicContact CD1-CD2 3.69Å; L137-F173 HydrophobicContact CD1-CE2 3.45Å; L137-F173 VanDerWaalsContact CD1-CE2 3.45Å; L137-F173 HydrophobicContact CD1-CG 4.4Å; L137-F173 HydrophobicContact CD1-CZ 4.02Å; L137-F173 HydrophobicContact CD2-CB 4.28Å; L137-F173 HydrophobicContact CD2-CD2 4Å; L137-F173 HydrophobicContact CD2-CG 4.07Å; L137-F173 HydrophobicContact CG-CD2 3.56Å; L137-F173 HydrophobicContact CG-CE2 3.89Å; L137-F173 HydrophobicContact CG-CG 4.15Å; L169-F173 PolarHBondContact O-N 3.42Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 2.91Å; F173-L176 PolarHBondContact O-N 3.43Å; F173-Q177 HydrophobicContact CE1-CB 4.3Å; F173-Q177 WeakPolarHBondContact O-CB 3.32Å; F173-Q177 PolarHBondContact O-N 2.83Å; F173-H204 AromaticContact CZ-CE1 3.73Å; F173-H204 AromaticContact CZ-ND1 3.96Å; F173-V208 HydrophobicContact CD1-CB 4.37Å; F173-V208 HydrophobicContact CD1-CG1 3.86Å; F173-V208 HydrophobicContact CD1-CG2 4.02Å; F173-V208 HydrophobicContact CE1-CB 4.4Å; F173-V208 HydrophobicContact CE1-CG1 4.37Å; F173-V208 HydrophobicContact CE1-CG2 3.71Å; F173-V208 HydrophobicContact CZ-CG2 4.44Å; F173-W249 AromaticContact CE2-CD2 3.77Å; F173-W249 HydrophobicContact CE2-CD2 3.77Å; F173-W249 AromaticContact CE2-CE2 3.84Å; F173-W249 AromaticContact CE2-CE3 3.82Å; F173-W249 HydrophobicContact CE2-CE3 3.82Å; F173-W249 HydrophobicContact CE2-CG 4.44Å; F173-W249 AromaticContact CE2-CH2 3.96Å; F173-W249 HydrophobicContact CE2-CH2 3.96Å; F173-W249 AromaticContact CE2-CZ2 3.95Å; F173-W249 HydrophobicContact CE2-CZ2 3.95Å; F173-W249 AromaticContact CE2-CZ3 3.91Å; F173-W249 HydrophobicContact CE2-CZ3 3.91Å; F173-W249 AromaticContact CZ-CD2 4Å; F173-W249 HydrophobicContact CZ-CD2 4Å; F173-W249 AromaticContact CZ-CE3 3.56Å; F173-W249 HydrophobicContact CZ-CE3 3.56Å; F173-W249 HydrophobicContact CZ-CH2 4.02Å; F173-W249 HydrophobicContact CZ-CZ2 4.45Å; F173-W249 AromaticContact CZ-CZ3 3.57Å; F173-W249 HydrophobicContact CZ-CZ3 3.57Å
174	T	98.8	Very high	98.5	Very high	37 Å²	37	57.1 Å²	57.1	23%	0.227	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-39.5	-178.5	-55.1	0	0	0	0	111.7	G170 L171 Y172 A178 I209	G170-T174 PolarHBondContact O-N 2.88Å; G170-T174 VanDerWaalsContact O-N 3.09Å; G170-T174 PolarHBondContact O-OG1 3.42Å; L171-T174 WeakPolarHBondContact O-CB 3.45Å; L171-T174 PolarHBondContact O-N 3.42Å; Y172-T174 VanDerWaalsContact C-N 3.29Å; Y172-T174 PolarHBondContact O-N 3.03Å; T174-A178 WeakPolarHBondContact O-CB 3.26Å; T174-A178 PolarHBondContact O-N 3.42Å; T174-I209 HydrophobicContact CG2-CD1 4.2Å; T174-I209 HydrophobicContact CG2-CG1 4.01Å
175	L	98.7	Very high	98.5	Very high	123 Å²	123	57.5 Å²	57.5	64%	0.644	30%	0.301	S	S	*	.	H	α-helix	trans	-69.3	-42.1	176.8	-68.1	173.2	0	0	0	112.2	L171 Y172 F173 A178 S179	L171-L175 WeakPolarHBondContact O-CG 3.44Å; L171-L175 PolarHBondContact O-N 3.15Å; Y172-L175 PolarHBondContact O-N 3.39Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 2.91Å; L175-A178 PolarHBondContact O-N 3.25Å; L175-S179 PolarHBondContact O-N 2.95Å
176	L	98.5	Very high	98.4	Very high	27 Å²	27	54.6 Å²	54.6	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-45.8	174.6	-73.5	176.3	0	0	0	111.1	V129 L132 N133 Y172 F173 A178 S179 E180	V129-L176 HydrophobicContact CG1-CB 4.18Å; V129-L176 HydrophobicContact CG1-CD2 4.44Å; L132-L176 HydrophobicContact CD2-CD1 3.71Å; L132-L176 HydrophobicContact CD2-CD2 4.19Å; L132-L176 HydrophobicContact CG-CD1 3.89Å; N133-L176 WeakPolarHBondContact OD1-CB 3.2Å; N133-L176 WeakPolarHBondContact OD1-CD1 3.42Å; Y172-L176 HydrophobicContact CD1-CD1 4.01Å; Y172-L176 HydrophobicContact CD2-CD1 4.46Å; Y172-L176 HydrophobicContact CD2-CG 4.31Å; Y172-L176 HydrophobicContact CE1-CD1 3.59Å; Y172-L176 HydrophobicContact CE1-CG 4.37Å; Y172-L176 HydrophobicContact CE2-CD1 4.07Å; Y172-L176 HydrophobicContact CE2-CD2 4.1Å; Y172-L176 HydrophobicContact CE2-CG 3.94Å; Y172-L176 HydrophobicContact CG-CD1 4.43Å; Y172-L176 WeakPolarHBondContact O-CG 3.39Å; Y172-L176 PolarHBondContact O-N 3.33Å; F173-L176 PolarHBondContact O-N 3.43Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 2.85Å; L176-S179 WeakPolarHBondContact O-CB 3.28Å; L176-S179 PolarHBondContact O-N 2.77Å; L176-E180 PolarHBondContact O-N 3.05Å
177	Q	98.4	Very high	98.4	Very high	7 Å²	7	57.6 Å²	57.6	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-39.2	177.8	-164.3	68.7	8.1	0	0	112	N133 F173 E180 Y181 Y257	N133-Q177 PolarHBondContact ND2-OE1 2.84Å; F173-Q177 HydrophobicContact CE1-CB 4.3Å; F173-Q177 WeakPolarHBondContact O-CB 3.32Å; F173-Q177 PolarHBondContact O-N 2.83Å; Q177-E180 PolarHBondContact O-N 3.34Å; Q177-Y181 HydrophobicContact CG-CE1 4.03Å; Q177-Y181 VanDerWaalsContact NE2-CE1 3.25Å; Q177-Y181 PolarHBondContact NE2-OH 3.29Å; Q177-Y181 WeakPolarHBondContact O-CD1 3.4Å; Q177-Y181 PolarHBondContact O-N 3.46Å; Q177-Y257 PolarHBondContact NE2-OH 2.67Å
178	A	98.4	Very high	98.4	Very high	57 Å²	57	62 Å²	62	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-40	175	0	0	0	0	0	112.1	T174 L175 L176 Y181 F182	T174-A178 WeakPolarHBondContact O-CB 3.26Å; T174-A178 PolarHBondContact O-N 3.42Å; L175-A178 PolarHBondContact O-N 3.25Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 2.85Å; A178-Y181 PolarHBondContact O-N 2.73Å; A178-F182 PolarHBondContact O-N 3.43Å
179	S	98.4	Very high	98.4	Very high	68 Å²	68	62 Å²	62	48%	0.476	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-43.1	173.5	-173.7	0	0	0	0	111.5	L175 L176 Y181 F182 E183	L175-S179 PolarHBondContact O-N 2.95Å; L176-S179 WeakPolarHBondContact O-CB 3.28Å; L176-S179 PolarHBondContact O-N 2.77Å; S179-Y181 VanDerWaalsContact C-N 3.31Å; S179-Y181 PolarHBondContact O-N 3.06Å; S179-F182 PolarHBondContact O-N 2.87Å; S179-F182 VanDerWaalsContact O-N 3.14Å; S179-E183 WeakPolarHBondContact O-CG 3.35Å; S179-E183 PolarHBondContact O-N 3.14Å
180	E	98.3	Very high	98.4	Very high	11 Å²	11	63.3 Å²	63.3	5%	0.051	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-41.2	177.9	-172.4	-178.9	92.9	0	0	111.6	L124 P130 L176 Q177 F182 E183 S184 Y257	L124-E180 VanDerWaalsContact CD1-CD 3.43Å; L124-E180 HydrophobicContact CD1-CG 3.39Å; P130-E180 WeakPolarHBondContact CG-OE2 3.48Å; L176-E180 PolarHBondContact O-N 3.05Å; Q177-E180 PolarHBondContact O-N 3.34Å; E180-F182 VanDerWaalsContact C-N 3.29Å; E180-F182 PolarHBondContact O-N 2.97Å; E180-E183 PolarHBondContact O-N 2.96Å; E180-S184 VanDerWaalsContact O-CB 3.3Å; E180-S184 WeakPolarHBondContact O-CB 3.29Å; E180-S184 PolarHBondContact O-N 2.97Å; E180-Y257 VanDerWaalsContact OE1-CE1 3.25Å; E180-Y257 WeakPolarHBondContact OE1-CE1 3.3Å; E180-Y257 VanDerWaalsContact OE1-CZ 3.32Å; E180-Y257 PolarHBondContact OE1-OH 2.87Å
181	Y	98.3	Very high	98.3	Very high	67 Å²	67	65.3 Å²	65.3	26%	0.263	36%	0.363	S	S	.	.	H	α-helix	trans	-68.2	-27.1	176.2	-74.4	8.2	0	0	0	113.6	Q177 A178 S179 S184 F197 F198 T201 G202	Q177-Y181 HydrophobicContact CG-CE1 4.03Å; Q177-Y181 VanDerWaalsContact NE2-CE1 3.25Å; Q177-Y181 PolarHBondContact NE2-OH 3.29Å; Q177-Y181 WeakPolarHBondContact O-CD1 3.4Å; Q177-Y181 PolarHBondContact O-N 3.46Å; A178-Y181 PolarHBondContact O-N 2.73Å; S179-Y181 VanDerWaalsContact C-N 3.31Å; S179-Y181 PolarHBondContact O-N 3.06Å; Y181-S184 PolarHBondContact O-OG 3.26Å; Y181-S184 VanDerWaalsContact O-OG 3.1Å; Y181-F197 HydrophobicContact CE1-CE1 4.11Å; Y181-F198 HydrophobicContact CD1-CD1 4.23Å; Y181-F198 AromaticContact CD1-CE1 3.8Å; Y181-F198 HydrophobicContact CD1-CE1 3.8Å; Y181-F198 HydrophobicContact CD2-CD1 4.29Å; Y181-F198 HydrophobicContact CD2-CE1 4.26Å; Y181-F198 HydrophobicContact CE1-CD1 4.19Å; Y181-F198 HydrophobicContact CE1-CE1 4.18Å; Y181-F198 HydrophobicContact CE2-CD1 4.26Å; Y181-F198 HydrophobicContact CG-CD1 4.29Å; Y181-F198 AromaticContact CG-CE1 3.85Å; Y181-F198 HydrophobicContact CG-CE1 3.85Å; Y181-T201 VanDerWaalsContact OH-CB 3.25Å; Y181-T201 WeakPolarHBondContact OH-CB 3.36Å; Y181-T201 PolarHBondContact OH-O 2.88Å; Y181-T201 PolarHBondContact OH-OG1 3.48Å; Y181-G202 WeakPolarHBondContact OH-CA 3.38Å; Y181-G202 PolarHBondContact OH-N 2.96Å; Y181-G202 VanDerWaalsContact OH-N 3.1Å
182	F	98	Very high	98.3	Very high	173 Å²	173	63.9 Å²	63.9	76%	0.759	36%	0.355	S	S	*	.	H	α-helix	trans	-79	-37.9	177.5	-174.8	-97.8	0	0	0	111.8	A178 S179 E180	A178-F182 PolarHBondContact O-N 3.43Å; S179-F182 PolarHBondContact O-N 2.87Å; S179-F182 VanDerWaalsContact O-N 3.14Å; E180-F182 VanDerWaalsContact C-N 3.29Å; E180-F182 PolarHBondContact O-N 2.97Å
183	E	97.8	Very high	98.3	Very high	135 Å²	135	59.1 Å²	59.1	63%	0.631	34%	0.336	S	S	*	.	H	α-helix	trans	-89.7	-9.2	-177.9	-61.8	-63.8	153.5	0	0	113.4	S179 E180	S179-E183 WeakPolarHBondContact O-CG 3.35Å; S179-E183 PolarHBondContact O-N 3.14Å; E180-E183 PolarHBondContact O-N 2.96Å
184	S	97.9	Very high	98.3	Very high	15 Å²	15	59 Å²	59	11%	0.105	34%	0.336	C	S	.	.			trans	-61.1	130.5	-178	57	0	0	0	0	111.4	E180 Y181 F186	E180-S184 VanDerWaalsContact O-CB 3.3Å; E180-S184 WeakPolarHBondContact O-CB 3.29Å; E180-S184 PolarHBondContact O-N 2.97Å; Y181-S184 PolarHBondContact O-OG 3.26Å; Y181-S184 VanDerWaalsContact O-OG 3.1Å; S184-F186 PolarHBondContact O-N 2.95Å; S184-F186 VanDerWaalsContact O-N 3.15Å; S184-F186 PolarHBondContact OG-O 2.84Å; S184-F186 VanDerWaalsContact OG-O 3.08Å
185	P	97.8	Very high	98.2	Very high	82 Å²	82	59.5 Å²	59.5	53%	0.532	34%	0.341	S	S	.	.	S	Bend	trans	-76.9	1.9	-177.9	32.4	-36.8	0	0	0	113.5	T122	T122-P185 VanDerWaalsContact O-CG 3.24Å; T122-P185 WeakPolarHBondContact O-CG 3.49Å; T122-P185 WeakPolarHBondContact OG1-CB 3.31Å; T122-P185 WeakPolarHBondContact OG1-CG 3.49Å
186	F	98.4	Very high	98.2	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	31%	0.314	C	S	.	.	S	Bend	trans	-132.6	161	176.1	61.2	-89.6	0	0	0	109.7	I121 L124 S184 D190 Y193 F197 F198	I121-F186 HydrophobicContact CD1-CB 4.12Å; L124-F186 HydrophobicContact CG-CE1 4.17Å; L124-F186 HydrophobicContact CG-CZ 4.43Å; S184-F186 PolarHBondContact O-N 2.95Å; S184-F186 VanDerWaalsContact O-N 3.15Å; S184-F186 PolarHBondContact OG-O 2.84Å; S184-F186 VanDerWaalsContact OG-O 3.08Å; F186-D190 VanDerWaalsContact CA-OD2 3.27Å; F186-D190 WeakPolarHBondContact CA-OD2 3.39Å; F186-D190 HydrophobicContact CB-CB 4.28Å; F186-Y193 HydrophobicContact CD1-CE1 4.24Å; F186-Y193 HydrophobicContact CD2-CD1 4.08Å; F186-Y193 AromaticContact CD2-CE1 3.99Å; F186-Y193 HydrophobicContact CD2-CE1 3.99Å; F186-Y193 AromaticContact CE1-CE1 3.94Å; F186-Y193 HydrophobicContact CE1-CE1 3.94Å; F186-Y193 HydrophobicContact CE2-CD1 4.13Å; F186-Y193 AromaticContact CE2-CE1 3.67Å; F186-Y193 HydrophobicContact CE2-CE1 3.67Å; F186-Y193 HydrophobicContact CG-CD1 4.46Å; F186-Y193 HydrophobicContact CG-CE1 4.29Å; F186-Y193 AromaticContact CZ-CE1 3.66Å; F186-Y193 HydrophobicContact CZ-CE1 3.66Å; F186-F197 HydrophobicContact CE2-CB 4.16Å; F186-F197 AromaticContact CE2-CD1 3.54Å; F186-F197 HydrophobicContact CE2-CD1 3.54Å; F186-F197 HydrophobicContact CE2-CD2 4.23Å; F186-F197 AromaticContact CE2-CE1 3.93Å; F186-F197 HydrophobicContact CE2-CE1 3.93Å; F186-F197 AromaticContact CE2-CG 3.71Å; F186-F197 HydrophobicContact CE2-CG 3.71Å; F186-F197 HydrophobicContact CE2-CZ 4.45Å; F186-F197 AromaticContact CZ-CD1 3.97Å; F186-F197 HydrophobicContact CZ-CD1 3.97Å; F186-F197 HydrophobicContact CZ-CD2 4.11Å; F186-F197 AromaticContact CZ-CE1 3.96Å; F186-F197 HydrophobicContact CZ-CE1 3.96Å; F186-F197 HydrophobicContact CZ-CE2 4.12Å; F186-F197 HydrophobicContact CZ-CG 4.06Å; F186-F197 HydrophobicContact CZ-CZ 4.05Å; F186-F198 HydrophobicContact CD2-CD2 4.48Å; F186-F198 AromaticContact CD2-CE2 3.66Å; F186-F198 HydrophobicContact CD2-CE2 3.66Å; F186-F198 HydrophobicContact CD2-CZ 4.36Å; F186-F198 HydrophobicContact CE2-CD2 4.4Å; F186-F198 AromaticContact CE2-CE2 3.71Å; F186-F198 HydrophobicContact CE2-CE2 3.71Å; F186-F198 HydrophobicContact CE2-CZ 4.22Å; F186-F198 WeakPolarHBondContact O-CE2 3.26Å; F186-F198 WeakPolarHBondContact O-CZ 3.48Å
187	T	98.6	Very high	98.2	Very high	63 Å²	63	53.1 Å²	53.1	39%	0.387	31%	0.308	S	S	.	.			trans	-129.5	171.2	-170	65.7	0	0	0	0	110.8	S189 D190 G194 F198	T187-S189 PolarHBondContact O-N 3.41Å; T187-S189 VanDerWaalsContact O-N 3.13Å; T187-S189 PolarHBondContact OG1-N 3.08Å; T187-S189 PolarHBondContact OG1-OG 2.95Å; T187-D190 PolarHBondContact N-OD2 2.91Å; T187-D190 PolarHBondContact O-N 3.21Å; T187-D190 PolarHBondContact OG1-OD2 3.37Å; T187-G194 WeakPolarHBondContact O-CA 3.4Å; T187-F198 VanDerWaalsContact CA-CE2 3.45Å
188	I	98.5	Very high	98.2	Very high	103 Å²	103	54.1 Å²	54.1	53%	0.528	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.3	175.6	-164.1	167.9	0	0	0	113.1	F198 V199	I188-F198 HydrophobicContact CB-CB 4.2Å; I188-F198 HydrophobicContact CB-CD2 4.17Å; I188-F198 HydrophobicContact CB-CG 4.33Å; I188-F198 HydrophobicContact CD1-CB 4.3Å; I188-F198 HydrophobicContact CG1-CB 4.14Å; I188-V199 HydrophobicContact CD1-CG2 4.29Å
189	S	98.3	Very high	98.3	Very high	99 Å²	99	53.8 Å²	53.8	69%	0.692	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7	177.1	42.1	0	0	0	0	114.6	T187 G191	T187-S189 PolarHBondContact O-N 3.41Å; T187-S189 VanDerWaalsContact O-N 3.13Å; T187-S189 PolarHBondContact OG1-N 3.08Å; T187-S189 PolarHBondContact OG1-OG 2.95Å; S189-G191 PolarHBondContact O-N 3.03Å
190	D	98	Very high	98.3	Very high	66 Å²	66	50.7 Å²	50.7	35%	0.353	28%	0.283	S	S	.	.	S	Bend	trans	-83.5	61.7	-176.9	-64.1	-39.7	0	0	0	112	I121 F186 T187 G194	I121-D190 HydrophobicContact CD1-CB 3.9Å; F186-D190 VanDerWaalsContact CA-OD2 3.27Å; F186-D190 WeakPolarHBondContact CA-OD2 3.39Å; F186-D190 HydrophobicContact CB-CB 4.28Å; T187-D190 PolarHBondContact N-OD2 2.91Å; T187-D190 PolarHBondContact O-N 3.21Å; T187-D190 PolarHBondContact OG1-OD2 3.37Å; D190-G194 PolarHBondContact O-N 2.79Å
191	G	97.3	Very high	98.3	Very high	43 Å²	43	50.1 Å²	50.1	44%	0.443	28%	0.28	S	S	.	.	H	α-helix	trans	61.2	-153.2	175.6	0	0	0	0	0	113.6	S189 Y193 S195	S189-G191 PolarHBondContact O-N 3.03Å; G191-Y193 VanDerWaalsContact C-N 3.33Å; G191-Y193 PolarHBondContact O-N 3.29Å; G191-S195 WeakPolarHBondContact O-CB 3.3Å; G191-S195 PolarHBondContact O-N 3.35Å; G191-S195 PolarHBondContact O-OG 2.99Å
192	I	98.3	Very high	98.3	Very high	59 Å²	59	48.2 Å²	48.2	30%	0.303	28%	0.281	S	S	.	.	H	α-helix	trans	-72.1	-27.5	-173.6	-166.6	57.9	0	0	0	112.9	S104 L112 W116 T196	S104-I192 WeakPolarHBondContact OG-CG1 3.26Å; L112-I192 HydrophobicContact CD1-CG2 3.71Å; L112-I192 HydrophobicContact CD2-CG2 3.98Å; W116-I192 HydrophobicContact CH2-CG2 4.08Å; W116-I192 HydrophobicContact CZ3-CG2 3.76Å; I192-T196 HydrophobicContact CD1-CG2 3.91Å; I192-T196 HydrophobicContact CG1-CG2 4.16Å; I192-T196 WeakPolarHBondContact O-CB 3.48Å; I192-T196 WeakPolarHBondContact O-CG2 3.43Å; I192-T196 PolarHBondContact O-N 3.22Å; I192-T196 PolarHBondContact O-OG1 2.86Å
193	Y	98.4	Very high	98.3	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-55.8	174.7	-176.6	-82.8	0	0	0	110.3	W116 P117 I121 P123 F186 G191 S195 T196 F197	W116-Y193 AromaticContact CE2-CD2 3.8Å; W116-Y193 HydrophobicContact CH2-CD2 4.06Å; W116-Y193 AromaticContact CZ2-CD2 3.43Å; W116-Y193 HydrophobicContact CZ2-CD2 3.43Å; W116-Y193 VanDerWaalsContact CZ2-CD2 3.43Å; W116-Y193 HydrophobicContact CZ2-CE2 4.19Å; W116-Y193 HydrophobicContact CZ2-CG 4.26Å; P117-Y193 HydrophobicContact CB-CD2 4.22Å; P117-Y193 HydrophobicContact CB-CE2 4.13Å; P117-Y193 HydrophobicContact CG-CE2 4.43Å; I121-Y193 HydrophobicContact CD1-CD1 4.43Å; I121-Y193 HydrophobicContact CG1-CD1 4.41Å; I121-Y193 HydrophobicContact CG1-CG 4.35Å; I121-Y193 HydrophobicContact CG2-CD1 3.54Å; I121-Y193 HydrophobicContact CG2-CD2 4.24Å; I121-Y193 HydrophobicContact CG2-CE1 3.59Å; I121-Y193 HydrophobicContact CG2-CE2 4.28Å; I121-Y193 HydrophobicContact CG2-CG 3.9Å; P123-Y193 WeakPolarHBondContact CB-OH 3.4Å; F186-Y193 HydrophobicContact CD1-CE1 4.24Å; F186-Y193 HydrophobicContact CD2-CD1 4.08Å; F186-Y193 AromaticContact CD2-CE1 3.99Å; F186-Y193 HydrophobicContact CD2-CE1 3.99Å; F186-Y193 AromaticContact CE1-CE1 3.94Å; F186-Y193 HydrophobicContact CE1-CE1 3.94Å; F186-Y193 HydrophobicContact CE2-CD1 4.13Å; F186-Y193 AromaticContact CE2-CE1 3.67Å; F186-Y193 HydrophobicContact CE2-CE1 3.67Å; F186-Y193 HydrophobicContact CG-CD1 4.46Å; F186-Y193 HydrophobicContact CG-CE1 4.29Å; F186-Y193 AromaticContact CZ-CE1 3.66Å; F186-Y193 HydrophobicContact CZ-CE1 3.66Å; G191-Y193 VanDerWaalsContact C-N 3.33Å; G191-Y193 PolarHBondContact O-N 3.29Å; Y193-S195 VanDerWaalsContact C-N 3.33Å; Y193-S195 PolarHBondContact O-N 3.45Å; Y193-T196 PolarHBondContact O-N 3.47Å; Y193-T196 PolarHBondContact O-OG1 2.9Å; Y193-F197 VanDerWaalsContact O-CB 3.25Å; Y193-F197 WeakPolarHBondContact O-CB 3.44Å; Y193-F197 PolarHBondContact O-N 3.43Å
194	G	98.4	Very high	98.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-43.3	176.9	0	0	0	0	0	112.5	T187 D190 F197 F198	T187-G194 WeakPolarHBondContact O-CA 3.4Å; D190-G194 PolarHBondContact O-N 2.79Å; G194-F197 PolarHBondContact O-N 3.35Å; G194-F198 WeakPolarHBondContact O-CB 3.37Å; G194-F198 VanDerWaalsContact O-CD2 3.3Å; G194-F198 WeakPolarHBondContact O-CD2 3.37Å; G194-F198 PolarHBondContact O-N 3.29Å
195	S	98.4	Very high	98.4	Very high	47 Å²	47	37.2 Å²	37.2	33%	0.329	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-50.6	177.9	-62.4	0	0	0	0	112.7	G191 Y193 V199	G191-S195 WeakPolarHBondContact O-CB 3.3Å; G191-S195 PolarHBondContact O-N 3.35Å; G191-S195 PolarHBondContact O-OG 2.99Å; Y193-S195 VanDerWaalsContact C-N 3.33Å; Y193-S195 PolarHBondContact O-N 3.45Å; S195-V199 VanDerWaalsContact O-CB 3.27Å; S195-V199 WeakPolarHBondContact O-CB 3.47Å; S195-V199 WeakPolarHBondContact O-CG2 3.43Å; S195-V199 PolarHBondContact O-N 2.95Å
196	T	98.4	Very high	98.5	Very high	14 Å²	14	37.2 Å²	37.2	9%	0.086	23%	0.228	C	C	.	.	H	α-helix	trans	-69.8	-37.2	-178.3	52.4	0	0	0	0	111.9	F101 I192 Y193 A200	F101-T196 HydrophobicContact CB-CG2 4.48Å; I192-T196 HydrophobicContact CD1-CG2 3.91Å; I192-T196 HydrophobicContact CG1-CG2 4.16Å; I192-T196 WeakPolarHBondContact O-CB 3.48Å; I192-T196 WeakPolarHBondContact O-CG2 3.43Å; I192-T196 PolarHBondContact O-N 3.22Å; I192-T196 PolarHBondContact O-OG1 2.86Å; Y193-T196 PolarHBondContact O-N 3.47Å; Y193-T196 PolarHBondContact O-OG1 2.9Å; T196-A200 WeakPolarHBondContact O-CB 3.47Å; T196-A200 PolarHBondContact O-N 2.71Å
197	F	98.7	Very high	98.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-67.4	174.1	-177	-87.9	0	0	0	111	L124 Y181 F186 Y193 G194 V199 A200 T201 I256 Y257	L124-F197 HydrophobicContact CD1-CE2 4.48Å; L124-F197 HydrophobicContact CD1-CZ 3.9Å; Y181-F197 HydrophobicContact CE1-CE1 4.11Å; F186-F197 HydrophobicContact CE2-CB 4.16Å; F186-F197 AromaticContact CE2-CD1 3.54Å; F186-F197 HydrophobicContact CE2-CD1 3.54Å; F186-F197 HydrophobicContact CE2-CD2 4.23Å; F186-F197 AromaticContact CE2-CE1 3.93Å; F186-F197 HydrophobicContact CE2-CE1 3.93Å; F186-F197 AromaticContact CE2-CG 3.71Å; F186-F197 HydrophobicContact CE2-CG 3.71Å; F186-F197 HydrophobicContact CE2-CZ 4.45Å; F186-F197 AromaticContact CZ-CD1 3.97Å; F186-F197 HydrophobicContact CZ-CD1 3.97Å; F186-F197 HydrophobicContact CZ-CD2 4.11Å; F186-F197 AromaticContact CZ-CE1 3.96Å; F186-F197 HydrophobicContact CZ-CE1 3.96Å; F186-F197 HydrophobicContact CZ-CE2 4.12Å; F186-F197 HydrophobicContact CZ-CG 4.06Å; F186-F197 HydrophobicContact CZ-CZ 4.05Å; Y193-F197 VanDerWaalsContact O-CB 3.25Å; Y193-F197 WeakPolarHBondContact O-CB 3.44Å; Y193-F197 PolarHBondContact O-N 3.43Å; G194-F197 PolarHBondContact O-N 3.35Å; F197-V199 VanDerWaalsContact C-N 3.33Å; F197-V199 PolarHBondContact O-N 3.17Å; F197-A200 PolarHBondContact O-N 2.85Å; F197-T201 HydrophobicContact CE2-CG2 4.47Å; F197-T201 PolarHBondContact O-N 2.92Å; F197-T201 PolarHBondContact O-OG1 3.16Å; F197-I256 HydrophobicContact CD2-CG2 3.58Å; F197-I256 HydrophobicContact CE2-CG2 4.27Å; F197-I256 HydrophobicContact CG-CG2 4.49Å; F197-Y257 HydrophobicContact CE2-CD1 4.17Å; F197-Y257 AromaticContact CE2-CE1 3.64Å; F197-Y257 HydrophobicContact CE2-CE1 3.64Å; F197-Y257 HydrophobicContact CE2-CE2 4.06Å; F197-Y257 AromaticContact CE2-CZ 3.58Å; F197-Y257 AromaticContact CZ-CE1 3.73Å; F197-Y257 HydrophobicContact CZ-CE1 3.73Å; F197-Y257 HydrophobicContact CZ-CE2 4.42Å; F197-Y257 AromaticContact CZ-CZ 3.59Å; F197-Y257 WeakPolarHBondContact CZ-OH 3.43Å
198	F	98.7	Very high	98.5	Very high	27 Å²	27	34.6 Å²	34.6	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-31.7	-169.5	-78.6	-74.3	0	0	0	113.6	Y181 F186 T187 I188 G194 G202	Y181-F198 HydrophobicContact CD1-CD1 4.23Å; Y181-F198 AromaticContact CD1-CE1 3.8Å; Y181-F198 HydrophobicContact CD1-CE1 3.8Å; Y181-F198 HydrophobicContact CD2-CD1 4.29Å; Y181-F198 HydrophobicContact CD2-CE1 4.26Å; Y181-F198 HydrophobicContact CE1-CD1 4.19Å; Y181-F198 HydrophobicContact CE1-CE1 4.18Å; Y181-F198 HydrophobicContact CE2-CD1 4.26Å; Y181-F198 HydrophobicContact CG-CD1 4.29Å; Y181-F198 AromaticContact CG-CE1 3.85Å; Y181-F198 HydrophobicContact CG-CE1 3.85Å; F186-F198 HydrophobicContact CD2-CD2 4.48Å; F186-F198 AromaticContact CD2-CE2 3.66Å; F186-F198 HydrophobicContact CD2-CE2 3.66Å; F186-F198 HydrophobicContact CD2-CZ 4.36Å; F186-F198 HydrophobicContact CE2-CD2 4.4Å; F186-F198 AromaticContact CE2-CE2 3.71Å; F186-F198 HydrophobicContact CE2-CE2 3.71Å; F186-F198 HydrophobicContact CE2-CZ 4.22Å; F186-F198 WeakPolarHBondContact O-CE2 3.26Å; F186-F198 WeakPolarHBondContact O-CZ 3.48Å; T187-F198 VanDerWaalsContact CA-CE2 3.45Å; I188-F198 HydrophobicContact CB-CB 4.2Å; I188-F198 HydrophobicContact CB-CD2 4.17Å; I188-F198 HydrophobicContact CB-CG 4.33Å; I188-F198 HydrophobicContact CD1-CB 4.3Å; I188-F198 HydrophobicContact CG1-CB 4.14Å; G194-F198 WeakPolarHBondContact O-CB 3.37Å; G194-F198 VanDerWaalsContact O-CD2 3.3Å; G194-F198 WeakPolarHBondContact O-CD2 3.37Å; G194-F198 PolarHBondContact O-N 3.29Å; F198-G202 WeakPolarHBondContact O-CA 3.47Å; F198-G202 PolarHBondContact O-N 3.32Å
199	V	98.7	Very high	98.5	Very high	50 Å²	50	33.6 Å²	33.6	30%	0.303	21%	0.206	S	C	.	.	H	α-helix	trans	-72.4	-46.9	176.8	176.5	0	0	0	0	110.4	F97 I188 S195 F197 F203	F97-V199 HydrophobicContact CD1-CG1 3.97Å; F97-V199 HydrophobicContact CE1-CG1 3.51Å; F97-V199 HydrophobicContact CZ-CG1 3.98Å; I188-V199 HydrophobicContact CD1-CG2 4.29Å; S195-V199 VanDerWaalsContact O-CB 3.27Å; S195-V199 WeakPolarHBondContact O-CB 3.47Å; S195-V199 WeakPolarHBondContact O-CG2 3.43Å; S195-V199 PolarHBondContact O-N 2.95Å; F197-V199 VanDerWaalsContact C-N 3.33Å; F197-V199 PolarHBondContact O-N 3.17Å; V199-F203 HydrophobicContact CG1-CD2 3.81Å; V199-F203 HydrophobicContact CG1-CE2 3.97Å; V199-F203 WeakPolarHBondContact O-CB 3.37Å; V199-F203 WeakPolarHBondContact O-CD2 3.33Å; V199-F203 PolarHBondContact O-N 3.08Å
200	A	98.6	Very high	98.5	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-50.4	-178.3	0	0	0	0	0	111.9	F97 T196 F197 H204 L252 I256	F97-A200 HydrophobicContact CB-CB 4.08Å; T196-A200 WeakPolarHBondContact O-CB 3.47Å; T196-A200 PolarHBondContact O-N 2.71Å; F197-A200 PolarHBondContact O-N 2.85Å; A200-H204 PolarHBondContact O-N 2.78Å; A200-H204 VanDerWaalsContact O-N 3.15Å; A200-L252 HydrophobicContact CB-CD2 3.86Å; A200-I256 HydrophobicContact CB-CD1 3.84Å
201	T	98.6	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-71.3	-32	178.6	62	0	0	0	0	111.5	Y181 F197 H204 G205 Y257	Y181-T201 VanDerWaalsContact OH-CB 3.25Å; Y181-T201 WeakPolarHBondContact OH-CB 3.36Å; Y181-T201 PolarHBondContact OH-O 2.88Å; Y181-T201 PolarHBondContact OH-OG1 3.48Å; F197-T201 HydrophobicContact CE2-CG2 4.47Å; F197-T201 PolarHBondContact O-N 2.92Å; F197-T201 PolarHBondContact O-OG1 3.16Å; T201-H204 PolarHBondContact O-N 3.1Å; T201-G205 PolarHBondContact O-N 3.49Å; T201-Y257 HydrophobicContact CG2-CE2 3.7Å
202	G	98.6	Very high	98.6	Very high	26 Å²	26	27.8 Å²	27.8	27%	0.268	16%	0.157	S	C	.	.	H	α-helix	trans	-66.9	-44.8	176.6	0	0	0	0	0	112.9	Y181 F198 H204 G205 L206	Y181-G202 WeakPolarHBondContact OH-CA 3.38Å; Y181-G202 PolarHBondContact OH-N 2.96Å; Y181-G202 VanDerWaalsContact OH-N 3.1Å; F198-G202 WeakPolarHBondContact O-CA 3.47Å; F198-G202 PolarHBondContact O-N 3.32Å; G202-H204 VanDerWaalsContact C-N 3.33Å; G202-G205 PolarHBondContact O-N 3.09Å; G202-L206 PolarHBondContact O-N 2.67Å
203	F	98.8	Very high	98.6	Very high	76 Å²	76	28.9 Å²	28.9	33%	0.333	17%	0.167	S	C	.	.	H	α-helix	trans	-63.5	-40	172.7	-91.4	-70	0	0	0	111.5	F93 F94 F97 V199 L206 H207	F93-F203 HydrophobicContact CE1-CB 4.34Å; F93-F203 AromaticContact CE1-CD1 3.73Å; F93-F203 HydrophobicContact CE1-CD1 3.73Å; F93-F203 HydrophobicContact CE1-CE1 4.14Å; F93-F203 AromaticContact CE1-CG 3.95Å; F93-F203 HydrophobicContact CE1-CG 3.95Å; F93-F203 AromaticContact CZ-CD1 3.74Å; F93-F203 HydrophobicContact CZ-CD1 3.74Å; F93-F203 HydrophobicContact CZ-CD2 4.19Å; F93-F203 AromaticContact CZ-CE1 3.7Å; F93-F203 HydrophobicContact CZ-CE1 3.7Å; F93-F203 HydrophobicContact CZ-CE2 4.15Å; F93-F203 HydrophobicContact CZ-CG 4Å; F93-F203 AromaticContact CZ-CZ 3.91Å; F93-F203 HydrophobicContact CZ-CZ 3.91Å; F94-F203 HydrophobicContact CE1-CB 4.24Å; F94-F203 HydrophobicContact CZ-CB 4.18Å; F97-F203 HydrophobicContact CE1-CD2 4.27Å; F97-F203 HydrophobicContact CE1-CE2 4.42Å; F97-F203 HydrophobicContact CE2-CB 4.05Å; F97-F203 AromaticContact CE2-CD2 3.59Å; F97-F203 HydrophobicContact CE2-CD2 3.59Å; F97-F203 HydrophobicContact CE2-CE2 4.26Å; F97-F203 AromaticContact CE2-CG 3.91Å; F97-F203 HydrophobicContact CE2-CG 3.91Å; F97-F203 AromaticContact CZ-CD2 3.35Å; F97-F203 HydrophobicContact CZ-CD2 3.35Å; F97-F203 AromaticContact CZ-CE2 3.6Å; F97-F203 HydrophobicContact CZ-CE2 3.6Å; F97-F203 HydrophobicContact CZ-CG 4.1Å; V199-F203 HydrophobicContact CG1-CD2 3.81Å; V199-F203 HydrophobicContact CG1-CE2 3.97Å; V199-F203 WeakPolarHBondContact O-CB 3.37Å; V199-F203 WeakPolarHBondContact O-CD2 3.33Å; V199-F203 PolarHBondContact O-N 3.08Å; F203-L206 HydrophobicContact CD1-CD2 4.34Å; F203-L206 WeakPolarHBondContact O-CB 3.17Å; F203-L206 PolarHBondContact O-N 3.02Å; F203-H207 PolarHBondContact O-N 3.03Å; F203-H207 PolarHBondContact O-ND1 3.31Å
204	H	98.8	Very high	98.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-45.9	172.8	174.3	-92	0	0	0	112.3	F94 F173 A200 T201 G202 L206 H207 V208 V245 W249 L252	F94-H204 HydrophobicContact CE1-CB 3.97Å; F94-H204 HydrophobicContact CZ-CB 4.13Å; F173-H204 AromaticContact CZ-CE1 3.73Å; F173-H204 AromaticContact CZ-ND1 3.96Å; A200-H204 PolarHBondContact O-N 2.78Å; A200-H204 VanDerWaalsContact O-N 3.15Å; T201-H204 PolarHBondContact O-N 3.1Å; G202-H204 VanDerWaalsContact C-N 3.33Å; H204-L206 VanDerWaalsContact C-N 3.3Å; H204-L206 PolarHBondContact O-N 2.83Å; H204-H207 CarbonylContact O-C 3.59Å; H204-H207 WeakPolarHBondContact O-CA 3.38Å; H204-H207 WeakPolarHBondContact O-CB 3.42Å; H204-H207 PolarHBondContact O-N 2.89Å; H204-V208 VanDerWaalsContact CE1-CG2 3.48Å; H204-V208 WeakPolarHBondContact CE1-CG2 3.47Å; H204-V208 WeakPolarHBondContact O-CG2 3.25Å; H204-V208 PolarHBondContact O-N 3.42Å; H204-V245 PolarHBondContact NE2-O 3.06Å; H204-W249 AromaticContact CE1-CE3 3.56Å; H204-W249 AromaticContact ND1-CE3 3.64Å; H204-L252 HydrophobicContact CB-CD1 3.43Å; H204-L252 VanDerWaalsContact CB-CD1 3.43Å
205	G	98.6	Very high	98.7	Very high	15 Å²	15	31.8 Å²	31.8	16%	0.155	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-40.4	174.7	0	0	0	0	0	113	T201 G202 H207 V208 I209	T201-G205 PolarHBondContact O-N 3.49Å; G202-G205 PolarHBondContact O-N 3.09Å; G205-H207 VanDerWaalsContact C-N 3.32Å; G205-H207 PolarHBondContact O-N 2.92Å; G205-V208 PolarHBondContact O-N 3.44Å; G205-I209 WeakPolarHBondContact O-CG1 3.49Å; G205-I209 PolarHBondContact O-N 3.3Å; G205-I209 VanDerWaalsContact O-N 3.08Å
206	L	98.6	Very high	98.7	Very high	83 Å²	83	32 Å²	32	44%	0.435	18%	0.179	S	C	.	.	H	α-helix	trans	-59.4	-42.1	171.8	177.9	64.6	0	0	0	111.7	G202 F203 H204 I209 I210	G202-L206 PolarHBondContact O-N 2.67Å; F203-L206 HydrophobicContact CD1-CD2 4.34Å; F203-L206 WeakPolarHBondContact O-CB 3.17Å; F203-L206 PolarHBondContact O-N 3.02Å; H204-L206 VanDerWaalsContact C-N 3.3Å; H204-L206 PolarHBondContact O-N 2.83Å; L206-I209 PolarHBondContact O-N 3.05Å; L206-I210 HydrophobicContact CD1-CD1 4.37Å; L206-I210 HydrophobicContact CG-CD1 4.05Å; L206-I210 WeakPolarHBondContact O-CG1 3.27Å; L206-I210 PolarHBondContact O-N 3.38Å
207	H	98.8	Very high	98.7	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.046	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-37	176.7	-73.6	69.4	0	0	0	112.4	E90 F94 F203 H204 G205 I209 I210 G211 Y241 F244 V245	E90-H207 IonicContact OE2-CE1 3.05Å; E90-H207 IonicContact OE2-NE2 2.92Å; E90-H207 PolarHBondContact OE2-NE2 3.47Å; F94-H207 AromaticContact CE2-CE1 3.73Å; F94-H207 AromaticContact CE2-ND1 3.88Å; F94-H207 AromaticContact CE2-NE2 3.89Å; F94-H207 AromaticContact CZ-CE1 4Å; F94-H207 AromaticContact CZ-ND1 3.79Å; F203-H207 PolarHBondContact O-N 3.03Å; F203-H207 PolarHBondContact O-ND1 3.31Å; H204-H207 CarbonylContact O-C 3.59Å; H204-H207 WeakPolarHBondContact O-CA 3.38Å; H204-H207 WeakPolarHBondContact O-CB 3.42Å; H204-H207 PolarHBondContact O-N 2.89Å; G205-H207 VanDerWaalsContact C-N 3.32Å; G205-H207 PolarHBondContact O-N 2.92Å; H207-I209 VanDerWaalsContact C-N 3.32Å; H207-I209 PolarHBondContact O-N 3.42Å; H207-I210 PolarHBondContact O-N 3.45Å; H207-G211 PolarHBondContact O-N 2.96Å; H207-Y241 AromaticContact CD2-CZ 3.79Å; H207-Y241 PolarHBondContact CD2-OH 3.47Å; H207-Y241 WeakPolarHBondContact O-CE1 3.3Å; H207-F244 AromaticContact CD2-CE1 3.69Å; H207-V245 HydrophobicContact CB-CG2 4Å
208	V	98.8	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-42.1	172.7	178.7	0	0	0	0	110.8	F173 H204 G205 G211 S212 W242 V245	F173-V208 HydrophobicContact CD1-CB 4.37Å; F173-V208 HydrophobicContact CD1-CG1 3.86Å; F173-V208 HydrophobicContact CD1-CG2 4.02Å; F173-V208 HydrophobicContact CE1-CB 4.4Å; F173-V208 HydrophobicContact CE1-CG1 4.37Å; F173-V208 HydrophobicContact CE1-CG2 3.71Å; F173-V208 HydrophobicContact CZ-CG2 4.44Å; H204-V208 VanDerWaalsContact CE1-CG2 3.48Å; H204-V208 WeakPolarHBondContact CE1-CG2 3.47Å; H204-V208 WeakPolarHBondContact O-CG2 3.25Å; H204-V208 PolarHBondContact O-N 3.42Å; G205-V208 PolarHBondContact O-N 3.44Å; V208-G211 PolarHBondContact O-N 2.94Å; V208-S212 VanDerWaalsContact O-CB 3.3Å; V208-S212 WeakPolarHBondContact O-CB 3.34Å; V208-S212 PolarHBondContact O-N 3.07Å; V208-S212 PolarHBondContact O-OG 3.42Å; V208-W242 HydrophobicContact CG1-CH2 4.11Å; V208-W242 HydrophobicContact CG1-CZ3 4.47Å; V208-V245 HydrophobicContact CB-CG1 4.26Å; V208-V245 HydrophobicContact CG2-CG1 3.35Å
209	I	98.8	Very high	98.7	Very high	82 Å²	82	35.6 Å²	35.6	42%	0.421	20%	0.196	S	C	.	.	H	α-helix	trans	-65.9	-43.8	177.4	-65.8	166.9	0	0	0	111.2	T174 G205 L206 H207 S212 T213	T174-I209 HydrophobicContact CG2-CD1 4.2Å; T174-I209 HydrophobicContact CG2-CG1 4.01Å; G205-I209 WeakPolarHBondContact O-CG1 3.49Å; G205-I209 PolarHBondContact O-N 3.3Å; G205-I209 VanDerWaalsContact O-N 3.08Å; L206-I209 PolarHBondContact O-N 3.05Å; H207-I209 VanDerWaalsContact C-N 3.32Å; H207-I209 PolarHBondContact O-N 3.42Å; I209-S212 PolarHBondContact O-N 3.24Å; I209-T213 WeakPolarHBondContact O-CB 3.21Å; I209-T213 PolarHBondContact O-N 3.41Å; I209-T213 PolarHBondContact O-OG1 2.94Å
210	I	98.8	Very high	98.7	Very high	79 Å²	79	36.9 Å²	36.9	41%	0.405	20%	0.201	S	C	.	.	H	α-helix	trans	-60.9	-47.6	175.8	-68.9	167.4	0	0	0	110.2	L206 H207 S212 T213 F214 Y241	L206-I210 HydrophobicContact CD1-CD1 4.37Å; L206-I210 HydrophobicContact CG-CD1 4.05Å; L206-I210 WeakPolarHBondContact O-CG1 3.27Å; L206-I210 PolarHBondContact O-N 3.38Å; H207-I210 PolarHBondContact O-N 3.45Å; I210-S212 PolarHBondContact O-N 3Å; I210-T213 PolarHBondContact O-N 3.3Å; I210-F214 PolarHBondContact O-N 3.18Å; I210-Y241 HydrophobicContact CB-CE1 4.3Å; I210-Y241 HydrophobicContact CG2-CE1 3.96Å
211	G	98.7	Very high	98.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-44.9	177.9	0	0	0	0	0	112.3	H207 V208 T213 F214 L215	H207-G211 PolarHBondContact O-N 2.96Å; V208-G211 PolarHBondContact O-N 2.94Å; G211-T213 VanDerWaalsContact C-N 3.33Å; G211-T213 PolarHBondContact O-N 2.73Å; G211-F214 WeakPolarHBondContact O-CB 3.36Å; G211-F214 PolarHBondContact O-N 2.95Å; G211-F214 VanDerWaalsContact O-N 3.14Å; G211-L215 WeakPolarHBondContact O-CG 3.39Å; G211-L215 PolarHBondContact O-N 3.49Å
212	S	98.7	Very high	98.7	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-39.5	178.7	-60.5	0	0	0	0	111.5	V208 I209 I210 L215 T216 W242	V208-S212 VanDerWaalsContact O-CB 3.3Å; V208-S212 WeakPolarHBondContact O-CB 3.34Å; V208-S212 PolarHBondContact O-N 3.07Å; V208-S212 PolarHBondContact O-OG 3.42Å; I209-S212 PolarHBondContact O-N 3.24Å; I210-S212 PolarHBondContact O-N 3Å; S212-L215 PolarHBondContact O-N 3.25Å; S212-T216 WeakPolarHBondContact O-CB 3.16Å; S212-T216 PolarHBondContact O-N 2.93Å; S212-T216 PolarHBondContact O-OG1 3.2Å; S212-W242 WeakPolarHBondContact OG-CH2 3.36Å; S212-W242 WeakPolarHBondContact OG-CZ3 3.25Å
213	T	98.8	Very high	98.7	Very high	81 Å²	81	41 Å²	41	50%	0.497	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-44.2	173.6	-56.7	0	0	0	0	110.6	I209 I210 G211 T216 I217	I209-T213 WeakPolarHBondContact O-CB 3.21Å; I209-T213 PolarHBondContact O-N 3.41Å; I209-T213 PolarHBondContact O-OG1 2.94Å; I210-T213 PolarHBondContact O-N 3.3Å; G211-T213 VanDerWaalsContact C-N 3.33Å; G211-T213 PolarHBondContact O-N 2.73Å; T213-T216 WeakPolarHBondContact O-CB 3.42Å; T213-T216 PolarHBondContact O-N 3.36Å; T213-I217 WeakPolarHBondContact O-CG1 3.3Å; T213-I217 PolarHBondContact O-N 2.94Å
214	F	98.8	Very high	98.7	Very high	64 Å²	64	42 Å²	42	28%	0.281	22%	0.22	S	C	.	.	H	α-helix	trans	-64	-42.4	178.5	-165.5	-175.5	0	0	0	112	I210 G211 T216 I217 C218 G234 A237 A238	I210-F214 PolarHBondContact O-N 3.18Å; G211-F214 WeakPolarHBondContact O-CB 3.36Å; G211-F214 PolarHBondContact O-N 2.95Å; G211-F214 VanDerWaalsContact O-N 3.14Å; F214-T216 VanDerWaalsContact C-N 3.33Å; F214-T216 PolarHBondContact O-N 3.25Å; F214-I217 PolarHBondContact O-N 3.28Å; F214-C218 PolarHBondContact O-N 2.72Å; F214-C218 PolarHBondContact O-SG 3.43Å; F214-C218 VanDerWaalsContact O-SG 3.35Å; F214-G234 WeakPolarHBondContact CZ-O 3.38Å; F214-A237 HydrophobicContact CE1-CB 4.17Å; F214-A237 HydrophobicContact CZ-CB 4.06Å; F214-A238 HydrophobicContact CB-CB 4.5Å; F214-A238 HydrophobicContact CD1-CB 3.75Å; F214-A238 HydrophobicContact CD2-CB 4.01Å; F214-A238 HydrophobicContact CE1-CB 3.87Å; F214-A238 HydrophobicContact CE2-CB 4.12Å; F214-A238 HydrophobicContact CG-CB 3.81Å; F214-A238 HydrophobicContact CZ-CB 4.05Å
215	L	98.8	Very high	98.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-39.2	173.1	-68.2	177.3	0	0	0	112.1	I144 L163 T166 I167 G211 S212 I217 C218 F219 A238 W242	I144-L215 HydrophobicContact CD1-CD1 4.21Å; I144-L215 HydrophobicContact CD1-CD2 3.46Å; I144-L215 VanDerWaalsContact CD1-CD2 3.46Å; I144-L215 HydrophobicContact CD1-CG 4.48Å; I144-L215 HydrophobicContact CG1-CD2 4.49Å; L163-L215 HydrophobicContact CD1-CB 4.22Å; L163-L215 HydrophobicContact CD1-CD2 4Å; T166-L215 HydrophobicContact CG2-CD1 3.76Å; I167-L215 HydrophobicContact CD1-CB 4.3Å; I167-L215 HydrophobicContact CG1-CB 3.8Å; G211-L215 WeakPolarHBondContact O-CG 3.39Å; G211-L215 PolarHBondContact O-N 3.49Å; S212-L215 PolarHBondContact O-N 3.25Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 2.86Å; L215-C218 CarbonylContact O-C 3.28Å; L215-C218 WeakPolarHBondContact O-CA 3.09Å; L215-C218 WeakPolarHBondContact O-CB 3.44Å; L215-C218 PolarHBondContact O-N 3.27Å; L215-C218 VanDerWaalsContact O-N 3.12Å; L215-F219 PolarHBondContact O-N 3.29Å; L215-A238 HydrophobicContact CD2-CB 3.86Å; L215-W242 HydrophobicContact CD1-CD2 3.54Å; L215-W242 HydrophobicContact CD1-CE3 3.55Å; L215-W242 HydrophobicContact CD1-CG 4.01Å; L215-W242 HydrophobicContact CD1-CH2 4.42Å; L215-W242 HydrophobicContact CD1-CZ2 4.4Å; L215-W242 HydrophobicContact CD1-CZ3 4.03Å; L215-W242 HydrophobicContact CG-CE3 4.37Å
216	T	98.8	Very high	98.7	Very high	51 Å²	51	49.2 Å²	49.2	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-41.1	174.9	-58.9	0	0	0	0	111.6	S212 T213 F214 C218 F219 I220	S212-T216 WeakPolarHBondContact O-CB 3.16Å; S212-T216 PolarHBondContact O-N 2.93Å; S212-T216 PolarHBondContact O-OG1 3.2Å; T213-T216 WeakPolarHBondContact O-CB 3.42Å; T213-T216 PolarHBondContact O-N 3.36Å; F214-T216 VanDerWaalsContact C-N 3.33Å; F214-T216 PolarHBondContact O-N 3.25Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 2.84Å; T216-F219 WeakPolarHBondContact O-CB 3.33Å; T216-F219 PolarHBondContact O-N 2.89Å; T216-I220 HydrophobicContact CG2-CD1 4.19Å; T216-I220 WeakPolarHBondContact O-CG1 3.46Å; T216-I220 PolarHBondContact O-N 2.96Å
217	I	98.8	Very high	98.7	Very high	84 Å²	84	46 Å²	46	43%	0.431	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-40.8	172.4	-64.1	-58.4	0	0	0	111	T213 F214 L215 F219 I220 R221	T213-I217 WeakPolarHBondContact O-CG1 3.3Å; T213-I217 PolarHBondContact O-N 2.94Å; F214-I217 PolarHBondContact O-N 3.28Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 2.86Å; I217-F219 VanDerWaalsContact C-N 3.31Å; I217-F219 PolarHBondContact O-N 2.95Å; I217-I220 PolarHBondContact O-N 3.1Å; I217-R221 HydrophobicContact CG2-CG 4.4Å; I217-R221 WeakPolarHBondContact O-CB 3.46Å; I217-R221 VanDerWaalsContact O-CG 3.26Å; I217-R221 WeakPolarHBondContact O-CG 3.35Å; I217-R221 PolarHBondContact O-N 2.87Å
218	C	98.8	Very high	98.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-40	173.9	-67.4	0	0	0	0	111.9	L163 F214 L215 T216 R221 Q222 F227 F235	L163-C218 HydrophobicContact CD2-CB 4.33Å; F214-C218 PolarHBondContact O-N 2.72Å; F214-C218 PolarHBondContact O-SG 3.43Å; F214-C218 VanDerWaalsContact O-SG 3.35Å; L215-C218 CarbonylContact O-C 3.28Å; L215-C218 WeakPolarHBondContact O-CA 3.09Å; L215-C218 WeakPolarHBondContact O-CB 3.44Å; L215-C218 PolarHBondContact O-N 3.27Å; L215-C218 VanDerWaalsContact O-N 3.12Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 2.84Å; C218-R221 PolarHBondContact O-N 3.02Å; C218-Q222 WeakPolarHBondContact O-CB 3.35Å; C218-Q222 PolarHBondContact O-N 2.91Å; C218-F227 HydrophobicContact CB-CE2 4.11Å; C218-F227 HydrophobicContact CB-CZ 4.22Å; C218-F227 WeakPolarHBondContact O-CE2 3.35Å; C218-F235 HydrophobicContact CB-CD2 4.32Å
219	F	98.9	Very high	98.6	Very high	35 Å²	35	51.2 Å²	51.2	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-49.7	176.2	-179	-97.8	0	0	0	111.4	I160 L163 L164 I167 L215 T216 I217 R221 Q222 L223	I160-F219 HydrophobicContact CB-CE2 4.5Å; I160-F219 HydrophobicContact CG2-CE2 3.63Å; I160-F219 HydrophobicContact CG2-CZ 4.08Å; L163-F219 HydrophobicContact CB-CD2 4.38Å; L163-F219 HydrophobicContact CD2-CB 3.82Å; L163-F219 HydrophobicContact CD2-CD2 4.19Å; L163-F219 HydrophobicContact CG-CB 4.18Å; L163-F219 HydrophobicContact CG-CD2 4.15Å; L164-F219 HydrophobicContact CB-CE2 3.94Å; L164-F219 HydrophobicContact CD1-CE2 4.5Å; L164-F219 HydrophobicContact CD1-CZ 4.4Å; I167-F219 HydrophobicContact CD1-CB 3.77Å; I167-F219 HydrophobicContact CD1-CD2 4.47Å; I167-F219 HydrophobicContact CD1-CG 4.19Å; L215-F219 PolarHBondContact O-N 3.29Å; T216-F219 WeakPolarHBondContact O-CB 3.33Å; T216-F219 PolarHBondContact O-N 2.89Å; I217-F219 VanDerWaalsContact C-N 3.31Å; I217-F219 PolarHBondContact O-N 2.95Å; F219-R221 VanDerWaalsContact C-N 3.32Å; F219-R221 PolarHBondContact O-N 3.23Å; F219-Q222 WeakPolarHBondContact O-CB 3.49Å; F219-Q222 PolarHBondContact O-N 3.48Å; F219-Q222 VanDerWaalsContact O-N 3.15Å; F219-L223 HydrophobicContact CD1-CD1 4Å; F219-L223 HydrophobicContact CD1-CG 4.42Å; F219-L223 HydrophobicContact CE1-CD1 3.52Å; F219-L223 HydrophobicContact CE1-CG 4.15Å; F219-L223 HydrophobicContact CZ-CD1 4.09Å; F219-L223 HydrophobicContact CZ-CD2 4.44Å; F219-L223 HydrophobicContact CZ-CG 4.41Å; F219-L223 WeakPolarHBondContact O-CG 3.24Å; F219-L223 PolarHBondContact O-N 3.09Å
220	I	98.8	Very high	98.5	Very high	77 Å²	77	56 Å²	56	40%	0.395	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-43.1	176.5	-67.7	165.1	0	0	0	111	T216 I217 Q222 L223 M224	T216-I220 HydrophobicContact CG2-CD1 4.19Å; T216-I220 WeakPolarHBondContact O-CG1 3.46Å; T216-I220 PolarHBondContact O-N 2.96Å; I217-I220 PolarHBondContact O-N 3.1Å; I220-Q222 PolarHBondContact O-N 3.33Å; I220-L223 PolarHBondContact O-N 3.42Å; I220-M224 HydrophobicContact CG2-CE 3.75Å; I220-M224 PolarHBondContact O-N 3.27Å; I220-M224 VanDerWaalsContact O-N 3.08Å
221	R	98.8	Very high	98.5	Very high	30 Å²	30	55.1 Å²	55.1	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-37.5	176.3	-74.5	-177.9	67.6	-162.9	6.4	112.9	I217 C218 F219 M224 F225 H226 F227	I217-R221 HydrophobicContact CG2-CG 4.4Å; I217-R221 WeakPolarHBondContact O-CB 3.46Å; I217-R221 VanDerWaalsContact O-CG 3.26Å; I217-R221 WeakPolarHBondContact O-CG 3.35Å; I217-R221 PolarHBondContact O-N 2.87Å; C218-R221 PolarHBondContact O-N 3.02Å; F219-R221 VanDerWaalsContact C-N 3.32Å; F219-R221 PolarHBondContact O-N 3.23Å; R221-M224 CarbonylContact O-C 3.49Å; R221-M224 PolarHBondContact O-N 3.25Å; R221-F225 PolarHBondContact O-N 3.19Å; R221-H226 HydrophobicContact CB-CB 4.08Å; R221-H226 WeakPolarHBondContact O-CB 3.45Å; R221-H226 PolarHBondContact O-N 3.07Å; R221-F227 HydrophobicContact CB-CE2 3.97Å; R221-F227 HydrophobicContact CB-CZ 4.04Å
222	Q	98.5	Very high	98.5	Very high	9 Å²	9	55.4 Å²	55.4	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-45.4	173.4	176.2	69.3	-3.8	0	0	110.8	R156 M159 I160 C218 F219 I220 M224 F225 F227	R156-Q222 PolarHBondContact NH1-O 3.23Å; R156-Q222 PolarHBondContact NH2-O 3.49Å; M159-Q222 HydrophobicContact CE-CB 4.04Å; M159-Q222 HydrophobicContact CE-CG 4.03Å; M159-Q222 HydrophobicContact SD-CB 3.96Å; M159-Q222 VanDerWaalsContact SD-CD 3.53Å; M159-Q222 HydrophobicContact SD-CG 3.38Å; M159-Q222 WeakPolarHBondContact SD-CG 3.48Å; I160-Q222 HydrophobicContact CD1-CG 4.41Å; I160-Q222 HydrophobicContact CG1-CG 3.78Å; C218-Q222 WeakPolarHBondContact O-CB 3.35Å; C218-Q222 PolarHBondContact O-N 2.91Å; F219-Q222 WeakPolarHBondContact O-CB 3.49Å; F219-Q222 PolarHBondContact O-N 3.48Å; F219-Q222 VanDerWaalsContact O-N 3.15Å; I220-Q222 PolarHBondContact O-N 3.33Å; Q222-M224 PolarHBondContact O-N 2.84Å; Q222-F225 PolarHBondContact O-N 3.01Å; Q222-F227 HydrophobicContact CB-CD2 4.16Å
223	L	98.6	Very high	98.5	Very high	76 Å²	76	56.3 Å²	56.3	40%	0.398	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-36.5	176.8	-67.6	-178.2	0	0	0	111.5	R156 I160 F219 I220 F225	R156-L223 PolarHBondContact NH2-O 2.97Å; I160-L223 HydrophobicContact CD1-CD2 3.78Å; I160-L223 HydrophobicContact CG1-CD2 4.24Å; I160-L223 HydrophobicContact CG2-CD2 4.31Å; F219-L223 HydrophobicContact CD1-CD1 4Å; F219-L223 HydrophobicContact CD1-CG 4.42Å; F219-L223 HydrophobicContact CE1-CD1 3.52Å; F219-L223 HydrophobicContact CE1-CG 4.15Å; F219-L223 HydrophobicContact CZ-CD1 4.09Å; F219-L223 HydrophobicContact CZ-CD2 4.44Å; F219-L223 HydrophobicContact CZ-CG 4.41Å; F219-L223 WeakPolarHBondContact O-CG 3.24Å; F219-L223 PolarHBondContact O-N 3.09Å; I220-L223 PolarHBondContact O-N 3.42Å; L223-F225 VanDerWaalsContact C-N 3.29Å; L223-F225 WeakPolarHBondContact O-CD2 3.31Å; L223-F225 PolarHBondContact O-N 3.48Å
224	M	98.5	Very high	98.5	Very high	99 Å²	99	53.1 Å²	53.1	49%	0.488	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	10.1	175	-63.4	-171.9	-64.2	0	0	115.1	I220 R221 Q222 H226	I220-M224 HydrophobicContact CG2-CE 3.75Å; I220-M224 PolarHBondContact O-N 3.27Å; I220-M224 VanDerWaalsContact O-N 3.08Å; R221-M224 CarbonylContact O-C 3.49Å; R221-M224 PolarHBondContact O-N 3.25Å; Q222-M224 PolarHBondContact O-N 2.84Å; M224-H226 VanDerWaalsContact C-N 3.27Å; M224-H226 PolarHBondContact O-CD2 3.06Å; M224-H226 VanDerWaalsContact O-CD2 3.24Å; M224-H226 PolarHBondContact O-N 3.12Å
225	F	98.5	Very high	98.5	Very high	144 Å²	144	50.1 Å²	50.1	63%	0.632	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	28.3	178.2	-58.2	-99.6	0	0	0	114.4	R156 R221 Q222 L223 F227	R156-F225 VanDerWaalsContact NH1-CG 3.35Å; R156-F225 VanDerWaalsContact NH2-CZ 3.29Å; R221-F225 PolarHBondContact O-N 3.19Å; Q222-F225 PolarHBondContact O-N 3.01Å; L223-F225 VanDerWaalsContact C-N 3.29Å; L223-F225 WeakPolarHBondContact O-CD2 3.31Å; L223-F225 PolarHBondContact O-N 3.48Å; F225-F227 VanDerWaalsContact C-N 3.32Å; F225-F227 PolarHBondContact O-N 3.33Å
226	H	98.7	Very high	98.5	Very high	22 Å²	22	51 Å²	51	10%	0.102	26%	0.255	C	S	.	.			trans	-75.1	-20.7	-178.9	-68.8	-176.9	0	0	0	114	T66 Y67 R221 M224	T66-H226 HydrophobicContact CG2-CB 4.07Å; Y67-H226 AromaticContact CE1-NE2 3.92Å; Y67-H226 AromaticContact CZ-CE1 3.9Å; Y67-H226 AromaticContact CZ-NE2 3.67Å; Y67-H226 PolarHBondContact OH-CE1 3.28Å; Y67-H226 PolarHBondContact OH-NE2 2.89Å; R221-H226 HydrophobicContact CB-CB 4.08Å; R221-H226 WeakPolarHBondContact O-CB 3.45Å; R221-H226 PolarHBondContact O-N 3.07Å; M224-H226 VanDerWaalsContact C-N 3.27Å; M224-H226 PolarHBondContact O-CD2 3.06Å; M224-H226 VanDerWaalsContact O-CD2 3.24Å; M224-H226 PolarHBondContact O-N 3.12Å
227	F	98.6	Very high	98.5	Very high	17 Å²	17	48.8 Å²	48.8	8%	0.075	24%	0.242	C	C	.	.			trans	-96.1	141.1	179.8	-62.4	-48	0	0	0	111.2	L151 M159 C218 R221 Q222 F225 H232 F235	L151-F227 HydrophobicContact CD1-CB 4.02Å; L151-F227 HydrophobicContact CD2-CB 4.49Å; M159-F227 HydrophobicContact CE-CD2 4.46Å; C218-F227 HydrophobicContact CB-CE2 4.11Å; C218-F227 HydrophobicContact CB-CZ 4.22Å; C218-F227 WeakPolarHBondContact O-CE2 3.35Å; R221-F227 HydrophobicContact CB-CE2 3.97Å; R221-F227 HydrophobicContact CB-CZ 4.04Å; Q222-F227 HydrophobicContact CB-CD2 4.16Å; F225-F227 VanDerWaalsContact C-N 3.32Å; F225-F227 PolarHBondContact O-N 3.33Å; F227-H232 HydrophobicContact CB-CB 4.02Å; F227-H232 HydrophobicContact CD1-CB 3.67Å; F227-H232 HydrophobicContact CE1-CB 4.35Å; F227-H232 HydrophobicContact CG-CB 3.99Å; F227-F235 HydrophobicContact CE1-CB 4.37Å; F227-F235 HydrophobicContact CE2-CB 4.19Å; F227-F235 HydrophobicContact CZ-CB 4.01Å
228	T	98.3	Very high	98.5	Very high	75 Å²	75	44.9 Å²	44.9	46%	0.46	22%	0.222	S	C	.	.			trans	-109.4	164	168.5	65.8	0	0	0	0	109	K230 H231 H232	T228-K230 PolarHBondContact O-N 2.77Å; T228-H231 PolarHBondContact N-O 3.04Å; T228-H231 PolarHBondContact O-N 3.28Å; T228-H231 WeakPolarHBondContact OG1-CB 3.46Å; T228-H231 PolarHBondContact OG1-N 3.26Å; T228-H231 PolarHBondContact OG1-O 3.3Å; T228-H232 PolarHBondContact O-ND1 3.49Å
229	S	97.4	Very high	98.5	Very high	44 Å²	44	45.2 Å²	45.2	31%	0.308	23%	0.225	S	C	.	.	S	Bend	trans	-63.2	-10.8	177.1	57.4	0	0	0	0	114.8	M152 H232	M152-S229 WeakPolarHBondContact O-CB 3.47Å; S229-H232 PolarHBondContact O-CE1 2.7Å; S229-H232 VanDerWaalsContact O-CE1 3.25Å
230	K	97	Very high	98.5	Very high	182 Å²	182	47.5 Å²	47.5	79%	0.791	23%	0.232	S	C	*	.	S	Bend	trans	-120.2	-18.1	-178.5	-62.4	-175.4	-179.7	-179.1	0	114.5	T228	T228-K230 PolarHBondContact O-N 2.77Å
231	H	97.8	Very high	98.5	Very high	61 Å²	61	44.2 Å²	44.2	28%	0.282	22%	0.215	S	C	.	.			trans	-134.4	99.5	-176.9	-176.5	-163.3	0	0	0	109.5	Q76 T228	Q76-H231 VanDerWaalsContact CD-NE2 3.27Å; Q76-H231 PolarHBondContact NE2-CD2 2.82Å; Q76-H231 VanDerWaalsContact NE2-CD2 3.25Å; Q76-H231 PolarHBondContact NE2-CE1 3.18Å; Q76-H231 PolarHBondContact NE2-NE2 3.14Å; Q76-H231 PolarHBondContact OE1-CD2 2.92Å; T228-H231 PolarHBondContact N-O 3.04Å; T228-H231 PolarHBondContact O-N 3.28Å; T228-H231 WeakPolarHBondContact OG1-CB 3.46Å; T228-H231 PolarHBondContact OG1-N 3.26Å; T228-H231 PolarHBondContact OG1-O 3.3Å
232	H	98.4	Very high	98.5	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.032	21%	0.21	C	C	.	.			trans	-153.7	38.7	-176.4	46	-102.9	0	0	0	111.8	H148 L151 F227 T228 S229 G234 F235 E236	H148-H232 AromaticContact NE2-NE2 3.68Å; L151-H232 HydrophobicContact CD2-CB 3.66Å; L151-H232 VanDerWaalsContact CD2-CG 3.47Å; F227-H232 HydrophobicContact CB-CB 4.02Å; F227-H232 HydrophobicContact CD1-CB 3.67Å; F227-H232 HydrophobicContact CE1-CB 4.35Å; F227-H232 HydrophobicContact CG-CB 3.99Å; T228-H232 PolarHBondContact O-ND1 3.49Å; S229-H232 PolarHBondContact O-CE1 2.7Å; S229-H232 VanDerWaalsContact O-CE1 3.25Å; H232-G234 PolarHBondContact O-N 3.14Å; H232-G234 VanDerWaalsContact O-N 3.08Å; H232-F235 HydrophobicContact CB-CB 4.4Å; H232-F235 WeakPolarHBondContact O-CA 3.25Å; H232-F235 WeakPolarHBondContact O-CB 3.45Å; H232-F235 PolarHBondContact O-N 2.97Å; H232-E236 PolarHBondContact O-N 3.33Å; H232-E236 VanDerWaalsContact O-N 3.12Å
233	F	98.6	Very high	98.5	Very high	25 Å²	25	45.6 Å²	45.6	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-53.4	-34.8	-177.8	174.1	-102.4	0	0	0	113.9	L79 R80 M83 F235 E236 A237 W240	L79-F233 VanDerWaalsContact C-CZ 3.43Å; L79-F233 HydrophobicContact CB-CD1 3.88Å; L79-F233 HydrophobicContact CB-CE1 3.45Å; L79-F233 VanDerWaalsContact CB-CE1 3.45Å; L79-F233 HydrophobicContact CB-CE2 4.39Å; L79-F233 HydrophobicContact CB-CZ 3.73Å; L79-F233 HydrophobicContact CD1-CD1 4.03Å; L79-F233 HydrophobicContact CD1-CE1 4.27Å; L79-F233 HydrophobicContact CG-CE1 4.36Å; L79-F233 VanDerWaalsContact O-CZ 3.31Å; L79-F233 WeakPolarHBondContact O-CZ 3.38Å; R80-F233 HydrophobicContact CB-CE2 4.13Å; R80-F233 HydrophobicContact CG-CD2 3.62Å; R80-F233 HydrophobicContact CG-CE2 3.43Å; R80-F233 VanDerWaalsContact CG-CE2 3.43Å; R80-F233 HydrophobicContact CG-CZ 4.5Å; M83-F233 HydrophobicContact CB-CZ 4.04Å; F233-F235 PolarHBondContact O-N 3.19Å; F233-E236 HydrophobicContact CD2-CB 4.37Å; F233-E236 PolarHBondContact O-N 2.94Å; F233-E236 VanDerWaalsContact O-N 3.14Å; F233-A237 HydrophobicContact CE1-CB 4.15Å; F233-A237 HydrophobicContact CE2-CB 4.34Å; F233-A237 HydrophobicContact CZ-CB 3.95Å; F233-A237 WeakPolarHBondContact O-CB 3.49Å; F233-A237 PolarHBondContact O-N 3.22Å; F233-W240 HydrophobicContact CE2-CH2 4.48Å; F233-W240 HydrophobicContact CE2-CZ3 4.19Å
234	G	98.4	Very high	98.5	Very high	14 Å²	14	42.8 Å²	42.8	14%	0.144	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-35.6	175.5	0	0	0	0	0	113.2	F214 H232 A238	F214-G234 WeakPolarHBondContact CZ-O 3.38Å; H232-G234 PolarHBondContact O-N 3.14Å; H232-G234 VanDerWaalsContact O-N 3.08Å; G234-A238 PolarHBondContact O-N 3.29Å
235	F	98.8	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-74.2	-42.3	172.5	177.9	-87.5	0	0	0	111.5	I144 A147 H148 L151 M159 L163 C218 F227 H232 F233 A237 A238 A239	I144-F235 HydrophobicContact CG1-CZ 4.19Å; A147-F235 HydrophobicContact CB-CE2 4.32Å; A147-F235 HydrophobicContact CB-CZ 3.98Å; H148-F235 HydrophobicContact CB-CE1 3.59Å; H148-F235 HydrophobicContact CB-CZ 4.12Å; H148-F235 AromaticContact CD2-CE1 3.74Å; H148-F235 AromaticContact CG-CE1 3.74Å; L151-F235 HydrophobicContact CD2-CB 4.33Å; L151-F235 HydrophobicContact CD2-CD1 3.98Å; L151-F235 HydrophobicContact CD2-CG 4.07Å; M159-F235 HydrophobicContact CE-CD2 3.73Å; M159-F235 HydrophobicContact CE-CE2 3.78Å; L163-F235 HydrophobicContact CD1-CE2 4.22Å; L163-F235 HydrophobicContact CD2-CE2 4.33Å; C218-F235 HydrophobicContact CB-CD2 4.32Å; F227-F235 HydrophobicContact CE1-CB 4.37Å; F227-F235 HydrophobicContact CE2-CB 4.19Å; F227-F235 HydrophobicContact CZ-CB 4.01Å; H232-F235 HydrophobicContact CB-CB 4.4Å; H232-F235 WeakPolarHBondContact O-CA 3.25Å; H232-F235 WeakPolarHBondContact O-CB 3.45Å; H232-F235 PolarHBondContact O-N 2.97Å; F233-F235 PolarHBondContact O-N 3.19Å; F235-A237 VanDerWaalsContact C-N 3.32Å; F235-A237 PolarHBondContact O-N 3.02Å; F235-A238 PolarHBondContact O-N 3.16Å; F235-A239 HydrophobicContact CE1-CB 4.46Å; F235-A239 WeakPolarHBondContact O-CB 3.18Å; F235-A239 PolarHBondContact O-N 2.99Å
236	E	98.8	Very high	98.4	Very high	20 Å²	20	31.7 Å²	31.7	9%	0.093	16%	0.156	C	C	.	.	H	α-helix	trans	-54.8	-47.6	174.2	-66	178.2	-164.1	0	0	111.2	R80 H232 F233 A239 W240	R80-E236 IonicContact CZ-OE1 3.92Å; R80-E236 IonicContact CZ-OE2 3.41Å; R80-E236 IonicContact NE-OE2 3.38Å; R80-E236 PolarHBondContact NE-OE2 3.32Å; R80-E236 IonicContact NH2-OE1 3.78Å; R80-E236 PolarHBondContact NH2-OE1 2.68Å; R80-E236 IonicContact NH2-OE2 2.96Å; R80-E236 PolarHBondContact NH2-OE2 3.03Å; H232-E236 PolarHBondContact O-N 3.33Å; H232-E236 VanDerWaalsContact O-N 3.12Å; F233-E236 HydrophobicContact CD2-CB 4.37Å; F233-E236 PolarHBondContact O-N 2.94Å; F233-E236 VanDerWaalsContact O-N 3.14Å; E236-A239 PolarHBondContact O-N 3.31Å; E236-W240 HydrophobicContact CB-CZ2 4.49Å; E236-W240 PolarHBondContact O-N 3.03Å
237	A	98.8	Very high	98.4	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-44.6	178.9	0	0	0	0	0	112.1	M83 F214 F233 F235 A239 W240 Y241	M83-A237 HydrophobicContact CE-CB 4.36Å; M83-A237 WeakPolarHBondContact CE-O 3.47Å; M83-A237 HydrophobicContact CG-CB 3.92Å; M83-A237 HydrophobicContact SD-CB 4.12Å; F214-A237 HydrophobicContact CE1-CB 4.17Å; F214-A237 HydrophobicContact CZ-CB 4.06Å; F233-A237 HydrophobicContact CE1-CB 4.15Å; F233-A237 HydrophobicContact CE2-CB 4.34Å; F233-A237 HydrophobicContact CZ-CB 3.95Å; F233-A237 WeakPolarHBondContact O-CB 3.49Å; F233-A237 PolarHBondContact O-N 3.22Å; F235-A237 VanDerWaalsContact C-N 3.32Å; F235-A237 PolarHBondContact O-N 3.02Å; A237-A239 VanDerWaalsContact C-N 3.32Å; A237-A239 PolarHBondContact O-N 2.56Å; A237-W240 PolarHBondContact O-N 3.06Å; A237-Y241 WeakPolarHBondContact O-CB 3.14Å; A237-Y241 PolarHBondContact O-N 2.86Å
238	A	98.8	Very high	98.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-39.5	176.4	0	0	0	0	0	111.8	F214 L215 G234 F235 Y241 W242	F214-A238 HydrophobicContact CB-CB 4.5Å; F214-A238 HydrophobicContact CD1-CB 3.75Å; F214-A238 HydrophobicContact CD2-CB 4.01Å; F214-A238 HydrophobicContact CE1-CB 3.87Å; F214-A238 HydrophobicContact CE2-CB 4.12Å; F214-A238 HydrophobicContact CG-CB 3.81Å; F214-A238 HydrophobicContact CZ-CB 4.05Å; L215-A238 HydrophobicContact CD2-CB 3.86Å; G234-A238 PolarHBondContact O-N 3.29Å; F235-A238 PolarHBondContact O-N 3.16Å; A238-Y241 PolarHBondContact O-N 3.47Å; A238-W242 WeakPolarHBondContact O-CB 3.5Å; A238-W242 PolarHBondContact O-N 3.24Å
239	A	98.8	Very high	98.4	Very high	7 Å²	7	30.2 Å²	30.2	6%	0.058	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-41.6	176.2	0	0	0	0	0	112.8	I144 F235 E236 A237 Y241 W242 H243	I144-A239 HydrophobicContact CD1-CB 3.83Å; I144-A239 HydrophobicContact CG1-CB 4.19Å; F235-A239 HydrophobicContact CE1-CB 4.46Å; F235-A239 WeakPolarHBondContact O-CB 3.18Å; F235-A239 PolarHBondContact O-N 2.99Å; E236-A239 PolarHBondContact O-N 3.31Å; A237-A239 VanDerWaalsContact C-N 3.32Å; A237-A239 PolarHBondContact O-N 2.56Å; A239-Y241 VanDerWaalsContact C-N 3.35Å; A239-W242 PolarHBondContact O-N 3.38Å; A239-H243 PolarHBondContact O-CD2 2.96Å; A239-H243 VanDerWaalsContact O-CD2 3.28Å; A239-H243 PolarHBondContact O-N 3.01Å
240	W	98.8	Very high	98.5	Very high	84 Å²	84	31.1 Å²	31.1	32%	0.318	15%	0.151	S	C	.	.	H	α-helix	trans	-62.1	-43.1	174	-63.2	-12.4	0	0	0	112	R80 M83 I84 I87 F233 E236 A237 W242 H243 F244	R80-W240 HydrophobicContact CB-CH2 3.97Å; R80-W240 HydrophobicContact CB-CZ3 4.23Å; R80-W240 HydrophobicContact CG-CH2 3.74Å; R80-W240 HydrophobicContact CG-CZ3 4.27Å; M83-W240 HydrophobicContact CB-CE3 4.17Å; M83-W240 HydrophobicContact CB-CZ3 4.22Å; M83-W240 HydrophobicContact CG-CE3 3.92Å; M83-W240 HydrophobicContact CG-CZ3 4.46Å; I84-W240 HydrophobicContact CD1-CZ3 4.44Å; I84-W240 HydrophobicContact CG1-CE3 4.45Å; I84-W240 HydrophobicContact CG1-CZ3 4.05Å; I87-W240 HydrophobicContact CD1-CB 3.74Å; F233-W240 HydrophobicContact CE2-CH2 4.48Å; F233-W240 HydrophobicContact CE2-CZ3 4.19Å; E236-W240 HydrophobicContact CB-CZ2 4.49Å; E236-W240 PolarHBondContact O-N 3.03Å; A237-W240 PolarHBondContact O-N 3.06Å; W240-W242 VanDerWaalsContact C-N 3.33Å; W240-H243 PolarHBondContact O-N 2.87Å; W240-F244 PolarHBondContact O-N 3.37Å
241	Y	98.9	Very high	98.5	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.027	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-39.7	176.1	-168.5	-99.6	0	0	0	111.8	M83 F86 H207 I210 A237 A238 A239 F244 V245	M83-Y241 HydrophobicContact CE-CD2 3.98Å; M83-Y241 HydrophobicContact CE-CG 4.25Å; F86-Y241 AromaticContact CE1-CD2 4Å; F86-Y241 HydrophobicContact CE1-CD2 4Å; F86-Y241 AromaticContact CE1-CE2 3.77Å; F86-Y241 HydrophobicContact CE1-CE2 3.77Å; F86-Y241 HydrophobicContact CZ-CE2 4.28Å; H207-Y241 AromaticContact CD2-CZ 3.79Å; H207-Y241 PolarHBondContact CD2-OH 3.47Å; H207-Y241 WeakPolarHBondContact O-CE1 3.3Å; I210-Y241 HydrophobicContact CB-CE1 4.3Å; I210-Y241 HydrophobicContact CG2-CE1 3.96Å; A237-Y241 WeakPolarHBondContact O-CB 3.14Å; A237-Y241 PolarHBondContact O-N 2.86Å; A238-Y241 PolarHBondContact O-N 3.47Å; A239-Y241 VanDerWaalsContact C-N 3.35Å; Y241-F244 HydrophobicContact CD2-CD1 4.22Å; Y241-F244 HydrophobicContact CE2-CD1 4.23Å; Y241-F244 HydrophobicContact CE2-CE1 4.31Å; Y241-F244 WeakPolarHBondContact O-CB 3.47Å; Y241-F244 PolarHBondContact O-N 3.22Å; Y241-V245 HydrophobicContact CD1-CG2 4.27Å; Y241-V245 HydrophobicContact CE1-CG2 4.09Å; Y241-V245 WeakPolarHBondContact O-CG2 3.18Å; Y241-V245 PolarHBondContact O-N 2.88Å
242	W	98.8	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.3	-45.8	177.6	-162.2	-102.8	0	0	0	112.3	L137 S140 I144 V208 S212 L215 A238 A239 W240 F244 V245 D246	L137-W242 HydrophobicContact CD2-CZ2 4.37Å; S140-W242 PolarHBondContact OG-NE1 3.33Å; I144-W242 HydrophobicContact CD1-CB 3.85Å; I144-W242 HydrophobicContact CD1-CG 4.02Å; V208-W242 HydrophobicContact CG1-CH2 4.11Å; V208-W242 HydrophobicContact CG1-CZ3 4.47Å; S212-W242 WeakPolarHBondContact OG-CH2 3.36Å; S212-W242 WeakPolarHBondContact OG-CZ3 3.25Å; L215-W242 HydrophobicContact CD1-CD2 3.54Å; L215-W242 HydrophobicContact CD1-CE3 3.55Å; L215-W242 HydrophobicContact CD1-CG 4.01Å; L215-W242 HydrophobicContact CD1-CH2 4.42Å; L215-W242 HydrophobicContact CD1-CZ2 4.4Å; L215-W242 HydrophobicContact CD1-CZ3 4.03Å; L215-W242 HydrophobicContact CG-CE3 4.37Å; A238-W242 WeakPolarHBondContact O-CB 3.5Å; A238-W242 PolarHBondContact O-N 3.24Å; A239-W242 PolarHBondContact O-N 3.38Å; W240-W242 VanDerWaalsContact C-N 3.33Å; W242-F244 VanDerWaalsContact C-N 3.31Å; W242-F244 PolarHBondContact O-N 3.02Å; W242-V245 WeakPolarHBondContact O-CB 3.41Å; W242-V245 PolarHBondContact O-N 2.87Å; W242-V245 VanDerWaalsContact O-N 3.1Å; W242-D246 PolarHBondContact O-N 3.13Å
243	H	98.7	Very high	98.6	Very high	69 Å²	69	26.2 Å²	26.2	32%	0.319	13%	0.129	S	C	.	.	H	α-helix	trans	-65.4	-32.9	174.1	-70.8	-46.9	0	0	0	113.3	A239 W240 V245 D246 V247	A239-H243 PolarHBondContact O-CD2 2.96Å; A239-H243 VanDerWaalsContact O-CD2 3.28Å; A239-H243 PolarHBondContact O-N 3.01Å; W240-H243 PolarHBondContact O-N 2.87Å; H243-V245 VanDerWaalsContact C-N 3.32Å; H243-D246 IonicContact ND1-OD2 2.89Å; H243-D246 PolarHBondContact O-N 3.27Å; H243-V247 WeakPolarHBondContact O-CG2 3.35Å; H243-V247 PolarHBondContact O-N 2.99Å
244	F	98.7	Very high	98.6	Very high	16 Å²	16	28.3 Å²	28.3	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-58.6	-45.8	170.1	153.4	-95.6	0	0	0	111	I87 E90 V91 F94 H207 W240 Y241 W242 D246 V247 V248	I87-F244 HydrophobicContact CG2-CB 3.93Å; I87-F244 HydrophobicContact CG2-CD2 3.82Å; I87-F244 HydrophobicContact CG2-CG 3.97Å; E90-F244 HydrophobicContact CB-CE1 4.26Å; E90-F244 HydrophobicContact CB-CE2 3.95Å; E90-F244 HydrophobicContact CB-CZ 3.6Å; V91-F244 HydrophobicContact CG2-CD2 3.92Å; V91-F244 HydrophobicContact CG2-CE2 3.84Å; F94-F244 HydrophobicContact CD2-CE2 4.43Å; F94-F244 AromaticContact CD2-CZ 3.85Å; F94-F244 HydrophobicContact CD2-CZ 3.85Å; F94-F244 HydrophobicContact CE2-CE1 4.49Å; F94-F244 AromaticContact CE2-CZ 3.82Å; F94-F244 HydrophobicContact CE2-CZ 3.82Å; H207-F244 AromaticContact CD2-CE1 3.69Å; W240-F244 PolarHBondContact O-N 3.37Å; Y241-F244 HydrophobicContact CD2-CD1 4.22Å; Y241-F244 HydrophobicContact CE2-CD1 4.23Å; Y241-F244 HydrophobicContact CE2-CE1 4.31Å; Y241-F244 WeakPolarHBondContact O-CB 3.47Å; Y241-F244 PolarHBondContact O-N 3.22Å; W242-F244 VanDerWaalsContact C-N 3.31Å; W242-F244 PolarHBondContact O-N 3.02Å; F244-D246 PolarHBondContact O-N 3.37Å; F244-V247 PolarHBondContact O-N 3.27Å; F244-V248 HydrophobicContact CD2-CG2 3.96Å; F244-V248 HydrophobicContact CE2-CG2 3.5Å; F244-V248 VanDerWaalsContact CE2-CG2 3.5Å; F244-V248 HydrophobicContact CZ-CG2 3.81Å; F244-V248 WeakPolarHBondContact O-CG2 3.41Å; F244-V248 PolarHBondContact O-N 3.21Å
245	V	98.5	Very high	98.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-43	176.7	171	0	0	0	0	111.5	H204 H207 V208 Y241 W242 H243 W249	H204-V245 PolarHBondContact NE2-O 3.06Å; H207-V245 HydrophobicContact CB-CG2 4Å; V208-V245 HydrophobicContact CB-CG1 4.26Å; V208-V245 HydrophobicContact CG2-CG1 3.35Å; Y241-V245 HydrophobicContact CD1-CG2 4.27Å; Y241-V245 HydrophobicContact CE1-CG2 4.09Å; Y241-V245 WeakPolarHBondContact O-CG2 3.18Å; Y241-V245 PolarHBondContact O-N 2.88Å; W242-V245 WeakPolarHBondContact O-CB 3.41Å; W242-V245 PolarHBondContact O-N 2.87Å; W242-V245 VanDerWaalsContact O-N 3.1Å; H243-V245 VanDerWaalsContact C-N 3.32Å; V245-W249 PolarHBondContact O-N 3.13Å
246	D	96.9	Very high	98.6	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.053	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-47.7	175.7	-65.3	-20.9	0	0	0	111.3	W242 H243 F244 W249 L250	W242-D246 PolarHBondContact O-N 3.13Å; H243-D246 IonicContact ND1-OD2 2.89Å; H243-D246 PolarHBondContact O-N 3.27Å; F244-D246 PolarHBondContact O-N 3.37Å; D246-W249 WeakPolarHBondContact O-CB 3.44Å; D246-W249 PolarHBondContact O-N 3.42Å; D246-L250 PolarHBondContact O-N 3.08Å; D246-L250 VanDerWaalsContact O-N 3.1Å
247	V	98.4	Very high	98.5	Very high	74 Å²	74	27 Å²	27	45%	0.448	13%	0.134	S	C	.	.	H	α-helix	trans	-65.5	-44.9	-177.9	171.3	0	0	0	0	111.1	H243 F244 W249 L250 F251	H243-V247 WeakPolarHBondContact O-CG2 3.35Å; H243-V247 PolarHBondContact O-N 2.99Å; F244-V247 PolarHBondContact O-N 3.27Å; V247-W249 VanDerWaalsContact C-N 3.25Å; V247-W249 PolarHBondContact O-N 2.9Å; V247-L250 WeakPolarHBondContact O-CB 3.5Å; V247-L250 PolarHBondContact O-N 3.21Å; V247-L250 VanDerWaalsContact O-N 3.12Å; V247-F251 HydrophobicContact CG1-CD2 3.97Å; V247-F251 HydrophobicContact CG1-CE2 3.77Å; V247-F251 VanDerWaalsContact O-CD2 3.31Å; V247-F251 WeakPolarHBondContact O-CD2 3.41Å; V247-F251 PolarHBondContact O-N 3Å
248	V	98.6	Very high	98.5	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.055	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-39.9	176.5	173.2	0	0	0	0	110.8	F94 F244 L250 F251 L252	F94-V248 HydrophobicContact CD1-CG1 3.6Å; F94-V248 HydrophobicContact CD2-CG1 4.25Å; F94-V248 HydrophobicContact CD2-CG2 4.28Å; F94-V248 HydrophobicContact CE1-CG1 3.7Å; F94-V248 HydrophobicContact CE2-CG1 4.34Å; F94-V248 HydrophobicContact CG-CG1 3.89Å; F94-V248 HydrophobicContact CG-CG2 4.4Å; F94-V248 HydrophobicContact CZ-CG1 4.08Å; F244-V248 HydrophobicContact CD2-CG2 3.96Å; F244-V248 HydrophobicContact CE2-CG2 3.5Å; F244-V248 VanDerWaalsContact CE2-CG2 3.5Å; F244-V248 HydrophobicContact CZ-CG2 3.81Å; F244-V248 WeakPolarHBondContact O-CG2 3.41Å; F244-V248 PolarHBondContact O-N 3.21Å; V248-L250 PolarHBondContact O-N 3.22Å; V248-F251 PolarHBondContact O-N 3.11Å; V248-L252 HydrophobicContact CG1-CD1 4.15Å; V248-L252 HydrophobicContact CG1-CG 4.4Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.92Å
249	W	98.7	Very high	98.5	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-44.1	174.8	178.7	-104.2	0	0	0	112.3	N133 T134 L137 F173 H204 V245 D246 V247 F251 L252 Y253 Y257	N133-W249 HydrophobicContact CB-CH2 4.14Å; N133-W249 HydrophobicContact CB-CZ2 3.51Å; T134-W249 VanDerWaalsContact CA-NE1 3.33Å; T134-W249 PolarHBondContact OG1-NE1 2.96Å; L137-W249 HydrophobicContact CD1-CB 3.56Å; L137-W249 HydrophobicContact CD1-CD2 4.09Å; L137-W249 HydrophobicContact CD1-CG 3.5Å; F173-W249 AromaticContact CE2-CD2 3.77Å; F173-W249 HydrophobicContact CE2-CD2 3.77Å; F173-W249 AromaticContact CE2-CE2 3.84Å; F173-W249 AromaticContact CE2-CE3 3.82Å; F173-W249 HydrophobicContact CE2-CE3 3.82Å; F173-W249 HydrophobicContact CE2-CG 4.44Å; F173-W249 AromaticContact CE2-CH2 3.96Å; F173-W249 HydrophobicContact CE2-CH2 3.96Å; F173-W249 AromaticContact CE2-CZ2 3.95Å; F173-W249 HydrophobicContact CE2-CZ2 3.95Å; F173-W249 AromaticContact CE2-CZ3 3.91Å; F173-W249 HydrophobicContact CE2-CZ3 3.91Å; F173-W249 AromaticContact CZ-CD2 4Å; F173-W249 HydrophobicContact CZ-CD2 4Å; F173-W249 AromaticContact CZ-CE3 3.56Å; F173-W249 HydrophobicContact CZ-CE3 3.56Å; F173-W249 HydrophobicContact CZ-CH2 4.02Å; F173-W249 HydrophobicContact CZ-CZ2 4.45Å; F173-W249 AromaticContact CZ-CZ3 3.57Å; F173-W249 HydrophobicContact CZ-CZ3 3.57Å; H204-W249 AromaticContact CE1-CE3 3.56Å; H204-W249 AromaticContact ND1-CE3 3.64Å; V245-W249 PolarHBondContact O-N 3.13Å; D246-W249 WeakPolarHBondContact O-CB 3.44Å; D246-W249 PolarHBondContact O-N 3.42Å; V247-W249 VanDerWaalsContact C-N 3.25Å; V247-W249 PolarHBondContact O-N 2.9Å; W249-F251 VanDerWaalsContact C-N 3.27Å; W249-F251 PolarHBondContact O-N 3.24Å; W249-L252 HydrophobicContact CE3-CD1 4.44Å; W249-L252 PolarHBondContact O-N 3.06Å; W249-L252 VanDerWaalsContact O-N 3.1Å; W249-Y253 WeakPolarHBondContact O-CB 3.38Å; W249-Y253 PolarHBondContact O-N 3.43Å; W249-Y257 AromaticContact CH2-CE2 3.96Å; W249-Y257 HydrophobicContact CH2-CE2 3.96Å; W249-Y257 HydrophobicContact CZ3-CE2 4.18Å
250	L	98.5	Very high	98.4	Very high	63 Å²	63	40.1 Å²	40.1	33%	0.33	18%	0.181	S	C	.	.	H	α-helix	trans	-59.5	-40.2	177.7	-66.5	175.9	0	0	0	111.9	T134 L138 D246 V247 V248 V254	T134-L250 HydrophobicContact CG2-CD2 3.83Å; L138-L250 HydrophobicContact CD2-CD1 4.33Å; L138-L250 HydrophobicContact CD2-CD2 4.35Å; D246-L250 PolarHBondContact O-N 3.08Å; D246-L250 VanDerWaalsContact O-N 3.1Å; V247-L250 WeakPolarHBondContact O-CB 3.5Å; V247-L250 PolarHBondContact O-N 3.21Å; V247-L250 VanDerWaalsContact O-N 3.12Å; V248-L250 PolarHBondContact O-N 3.22Å; L250-V254 WeakPolarHBondContact O-CG2 3.43Å; L250-V254 PolarHBondContact O-N 3Å
251	F	98.6	Very high	97.9	Very high	121 Å²	121	38.7 Å²	38.7	53%	0.531	18%	0.184	S	C	.	.	H	α-helix	trans	-65.5	-41.7	173.8	-80.3	-83.5	0	0	0	112.1	F98 V247 V248 W249 S255	F98-F251 HydrophobicContact CE1-CB 3.83Å; F98-F251 HydrophobicContact CE2-CB 4.16Å; F98-F251 HydrophobicContact CZ-CB 3.44Å; F98-F251 VanDerWaalsContact CZ-CB 3.44Å; V247-F251 HydrophobicContact CG1-CD2 3.97Å; V247-F251 HydrophobicContact CG1-CE2 3.77Å; V247-F251 VanDerWaalsContact O-CD2 3.31Å; V247-F251 WeakPolarHBondContact O-CD2 3.41Å; V247-F251 PolarHBondContact O-N 3Å; V248-F251 PolarHBondContact O-N 3.11Å; W249-F251 VanDerWaalsContact C-N 3.27Å; W249-F251 PolarHBondContact O-N 3.24Å; F251-S255 WeakPolarHBondContact O-CB 3.38Å; F251-S255 PolarHBondContact O-N 3.15Å; F251-S255 PolarHBondContact O-OG 3.36Å
252	L	98.6	Very high	97.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-45.7	175.7	-70.3	172	0	0	0	111.8	F98 A200 H204 V248 W249 S255 I256 Y257	F98-L252 HydrophobicContact CE1-CD2 3.88Å; F98-L252 HydrophobicContact CE1-CG 4.35Å; F98-L252 HydrophobicContact CZ-CD2 3.72Å; F98-L252 HydrophobicContact CZ-CG 3.91Å; A200-L252 HydrophobicContact CB-CD2 3.86Å; H204-L252 HydrophobicContact CB-CD1 3.43Å; H204-L252 VanDerWaalsContact CB-CD1 3.43Å; V248-L252 HydrophobicContact CG1-CD1 4.15Å; V248-L252 HydrophobicContact CG1-CG 4.4Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.92Å; W249-L252 HydrophobicContact CE3-CD1 4.44Å; W249-L252 PolarHBondContact O-N 3.06Å; W249-L252 VanDerWaalsContact O-N 3.1Å; L252-S255 PolarHBondContact O-N 3.22Å; L252-I256 HydrophobicContact CD2-CD1 3.68Å; L252-I256 HydrophobicContact CD2-CG1 4.48Å; L252-I256 WeakPolarHBondContact O-CB 3.39Å; L252-I256 PolarHBondContact O-N 2.83Å; L252-Y257 PolarHBondContact O-N 3.46Å
253	Y	98.6	Very high	97.8	Very high	24 Å²	24	42.4 Å²	42.4	9%	0.094	20%	0.202	C	C	.	.	I	π-helix	trans	-58.8	-53.9	178.6	178.9	-100.4	0	0	0	111.2	P126 P130 T134 W249 S255 Y257 W258	P126-Y253 HydrophobicContact CB-CE2 4.28Å; P126-Y253 WeakPolarHBondContact O-CE2 3.46Å; P126-Y253 PolarHBondContact O-OH 2.89Å; P130-Y253 HydrophobicContact CB-CD2 4.01Å; P130-Y253 HydrophobicContact CB-CE2 3.81Å; T134-Y253 WeakPolarHBondContact OG1-CD2 3.16Å; W249-Y253 WeakPolarHBondContact O-CB 3.38Å; W249-Y253 PolarHBondContact O-N 3.43Å; Y253-S255 PolarHBondContact O-N 3.45Å; Y253-Y257 CarbonylContact O-C 3.57Å; Y253-Y257 WeakPolarHBondContact O-CB 3.44Å; Y253-Y257 PolarHBondContact O-N 3.45Å; Y253-W258 WeakPolarHBondContact O-CB 3.43Å; Y253-W258 PolarHBondContact O-N 3.42Å
254	V	98.6	Very high	97.8	Very high	69 Å²	69	40.9 Å²	40.9	42%	0.418	20%	0.195	S	C	.	.	I	π-helix	trans	-66.4	-41.2	-178.3	174.2	0	0	0	0	111.5	L250 W259	L250-V254 WeakPolarHBondContact O-CG2 3.43Å; L250-V254 PolarHBondContact O-N 3Å; V254-W259 VanDerWaalsContact O-CB 3.28Å; V254-W259 WeakPolarHBondContact O-CB 3.11Å; V254-W259 PolarHBondContact O-N 3.14Å
255	S	98.6	Very high	97.7	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	20%	0.203	C	C	.	.	I	π-helix	trans	-81.6	-54.4	-172.1	-47.5	0	0	0	0	112.3	F101 Y102 F251 L252 Y253 G260	F101-S255 WeakPolarHBondContact CE1-O 3.37Å; F101-S255 VanDerWaalsContact CZ-O 3.26Å; F101-S255 WeakPolarHBondContact CZ-O 3.48Å; Y102-S255 WeakPolarHBondContact OH-CB 3.45Å; Y102-S255 PolarHBondContact OH-OG 3.29Å; F251-S255 WeakPolarHBondContact O-CB 3.38Å; F251-S255 PolarHBondContact O-N 3.15Å; F251-S255 PolarHBondContact O-OG 3.36Å; L252-S255 PolarHBondContact O-N 3.22Å; Y253-S255 PolarHBondContact O-N 3.45Å; S255-G260 WeakPolarHBondContact O-CA 3.46Å; S255-G260 PolarHBondContact O-N 2.98Å
256	I	98.3	Very high	97.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	22%	0.215	C	C	.	.	I	π-helix	trans	-90.4	-48.8	-170.2	-57.7	-175.3	0	0	0	110.8	F101 F197 A200 L252 G260	F101-I256 HydrophobicContact CD1-CG1 4.22Å; F101-I256 HydrophobicContact CD2-CD1 4.4Å; F101-I256 HydrophobicContact CD2-CG1 3.95Å; F101-I256 HydrophobicContact CE1-CG1 4.27Å; F101-I256 HydrophobicContact CE2-CB 4.39Å; F101-I256 HydrophobicContact CE2-CG1 4Å; F101-I256 HydrophobicContact CE2-CG2 4.39Å; F101-I256 HydrophobicContact CG-CD1 4.47Å; F101-I256 HydrophobicContact CG-CG1 4.06Å; F101-I256 HydrophobicContact CZ-CG1 4.17Å; F197-I256 HydrophobicContact CD2-CG2 3.58Å; F197-I256 HydrophobicContact CE2-CG2 4.27Å; F197-I256 HydrophobicContact CG-CG2 4.49Å; A200-I256 HydrophobicContact CB-CD1 3.84Å; L252-I256 HydrophobicContact CD2-CD1 3.68Å; L252-I256 HydrophobicContact CD2-CG1 4.48Å; L252-I256 WeakPolarHBondContact O-CB 3.39Å; L252-I256 PolarHBondContact O-N 2.83Å; I256-G260 CarbonylContact O-C 3.59Å
257	Y	98.1	Very high	97.8	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.012	23%	0.226	C	C	.	.	I	π-helix	trans	-80.1	-21.4	-174.2	-74.5	-93.4	0	0	0	114.3	L124 P126 P130 Q177 E180 F197 T201 W249 L252 Y253 S261	L124-Y257 HydrophobicContact CD1-CE1 4.08Å; P126-Y257 VanDerWaalsContact CB-O 3.24Å; P126-Y257 WeakPolarHBondContact CB-O 3.24Å; P126-Y257 WeakPolarHBondContact CG-O 3.27Å; P130-Y257 HydrophobicContact CB-CD1 3.71Å; P130-Y257 HydrophobicContact CB-CE1 4.1Å; P130-Y257 HydrophobicContact CB-CG 4.19Å; P130-Y257 HydrophobicContact CG-CD1 3.47Å; P130-Y257 VanDerWaalsContact CG-CD1 3.47Å; P130-Y257 HydrophobicContact CG-CE1 3.69Å; P130-Y257 HydrophobicContact CG-CG 4.41Å; Q177-Y257 PolarHBondContact NE2-OH 2.67Å; E180-Y257 VanDerWaalsContact OE1-CE1 3.25Å; E180-Y257 WeakPolarHBondContact OE1-CE1 3.3Å; E180-Y257 VanDerWaalsContact OE1-CZ 3.32Å; E180-Y257 PolarHBondContact OE1-OH 2.87Å; F197-Y257 HydrophobicContact CE2-CD1 4.17Å; F197-Y257 AromaticContact CE2-CE1 3.64Å; F197-Y257 HydrophobicContact CE2-CE1 3.64Å; F197-Y257 HydrophobicContact CE2-CE2 4.06Å; F197-Y257 AromaticContact CE2-CZ 3.58Å; F197-Y257 AromaticContact CZ-CE1 3.73Å; F197-Y257 HydrophobicContact CZ-CE1 3.73Å; F197-Y257 HydrophobicContact CZ-CE2 4.42Å; F197-Y257 AromaticContact CZ-CZ 3.59Å; F197-Y257 WeakPolarHBondContact CZ-OH 3.43Å; T201-Y257 HydrophobicContact CG2-CE2 3.7Å; W249-Y257 AromaticContact CH2-CE2 3.96Å; W249-Y257 HydrophobicContact CH2-CE2 3.96Å; W249-Y257 HydrophobicContact CZ3-CE2 4.18Å; L252-Y257 PolarHBondContact O-N 3.46Å; Y253-Y257 CarbonylContact O-C 3.57Å; Y253-Y257 WeakPolarHBondContact O-CB 3.44Å; Y253-Y257 PolarHBondContact O-N 3.45Å; Y257-S261 PolarHBondContact O-OG 2.89Å
258	W	98.2	Very high	97.7	Very high	162 Å²	162	45.5 Å²	45.5	61%	0.614	21%	0.21	S	C	*	.	I	π-helix	trans	-117.5	-55.5	-175.3	-170.9	23.8	0	0	0	113.9	P126 Y253 S261	P126-W258 HydrophobicContact CB-CB 4.28Å; Y253-W258 WeakPolarHBondContact O-CB 3.43Å; Y253-W258 PolarHBondContact O-N 3.42Å; W258-S261 PolarHBondContact O-OG 3.08Å
259	W	98.6	Very high	97.6	Very high	125 Å²	125	48.3 Å²	48.3	47%	0.473	22%	0.222	S	C	.	.	I	π-helix	trans	-76.3	-37	179.2	173.5	86.4	0	0	0	112.5	F101 Y102 S105 L106 V254 S261	F101-W259 AromaticContact CE1-CE3 3.82Å; F101-W259 HydrophobicContact CE1-CE3 3.82Å; F101-W259 AromaticContact CE1-CZ3 3.66Å; F101-W259 HydrophobicContact CE1-CZ3 3.66Å; F101-W259 AromaticContact CZ-CE3 3.84Å; F101-W259 HydrophobicContact CZ-CE3 3.84Å; F101-W259 AromaticContact CZ-CZ3 3.73Å; F101-W259 HydrophobicContact CZ-CZ3 3.73Å; Y102-W259 HydrophobicContact CD1-CH2 4.19Å; Y102-W259 AromaticContact CD1-CZ3 3.94Å; Y102-W259 HydrophobicContact CD1-CZ3 3.94Å; Y102-W259 HydrophobicContact CE1-CE3 4.03Å; Y102-W259 HydrophobicContact CE1-CH2 4.34Å; Y102-W259 AromaticContact CE1-CZ3 3.89Å; Y102-W259 HydrophobicContact CE1-CZ3 3.89Å; S105-W259 VanDerWaalsContact OG-CZ3 3.29Å; S105-W259 WeakPolarHBondContact OG-CZ3 3.48Å; L106-W259 HydrophobicContact CD2-CH2 3.49Å; L106-W259 VanDerWaalsContact CD2-CH2 3.49Å; L106-W259 HydrophobicContact CD2-CZ2 3.47Å; L106-W259 VanDerWaalsContact CD2-CZ2 3.47Å; L106-W259 HydrophobicContact CG-CH2 3.92Å; L106-W259 HydrophobicContact CG-CZ2 4.39Å; V254-W259 VanDerWaalsContact O-CB 3.28Å; V254-W259 WeakPolarHBondContact O-CB 3.11Å; V254-W259 PolarHBondContact O-N 3.14Å; W259-S261 VanDerWaalsContact C-N 3.34Å; W259-S261 PolarHBondContact O-N 3.19Å
260	G	96	Very high	97.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.24	C	C	.	.			trans	-88.9	11.4	-173.7	0	0	0	0	0	116	W116 S255 I256	W116-G260 VanDerWaalsContact CD1-O 3.23Å; W116-G260 PolarHBondContact NE1-O 3.1Å; S255-G260 WeakPolarHBondContact O-CA 3.46Å; S255-G260 PolarHBondContact O-N 2.98Å; I256-G260 CarbonylContact O-C 3.59Å
261	S	89.9	Confident	97.5	Very high	55 Å²	55	51.3 Å²	51.3	39%	0.385	23%	0.232	S	C	.	.			trans	-132.9	0	-168.7	57.4	0	0	0	0	110	P117 P123 Y257 W258 W259	P117-S261 WeakPolarHBondContact CD-OXT 3.36Å; P117-S261 WeakPolarHBondContact CG-OXT 3.38Å; P123-S261 WeakPolarHBondContact CG-OXT 3.43Å; Y257-S261 PolarHBondContact O-OG 2.89Å; W258-S261 PolarHBondContact O-OG 3.08Å; W259-S261 VanDerWaalsContact C-N 3.34Å; W259-S261 PolarHBondContact O-N 3.19Å

Retrieved 261 of 261 residues in 107.4 ms (Link to these results)

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