A0A059QSG6_HUMAN Loading...

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 A0A059QSG6, 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	58.1	Low	89	Confident	231 Å²	231	119.2 Å²	119.2	100%	1.138	62%	0.623	S	S	*	*				0	122.7	0	-69.2	-177.6	175.4	0	0	107.6
2	T	77.2	Confident	89.6	Confident	135 Å²	135	121.9 Å²	121.9	83%	0.828	63%	0.627	S	S	*	*			trans	-96.3	-13.5	-173.6	47	0	0	0	0	113.7
3	H	83.9	Confident	90.3	Very high	161 Å²	161	123.2 Å²	123.2	75%	0.745	65%	0.647	S	S	*	*	S	Bend	trans	-118.1	141.8	179.8	-67.1	-75.7	0	0	0	111.2
4	Q	88.4	Confident	90.8	Very high	121 Å²	121	117.7 Å²	117.7	57%	0.565	63%	0.625	S	S	*	*			trans	-71	135.8	174.9	66.5	-175.9	11.9	0	0	110.8
5	S	92.3	Very high	91.3	Very high	120 Å²	120	114.6 Å²	114.6	84%	0.839	61%	0.614	S	S	*	*			trans	-108.3	8.6	176.7	56.1	0	0	0	0	113.2
6	H	95.4	Very high	91.8	Very high	82 Å²	82	109.2 Å²	109.2	38%	0.38	58%	0.582	S	S	.	*	S	Bend	trans	-116.6	158	175.9	61.4	59	0	0	0	111.5	Y8	H6-Y8 HydrophobicContact CB-CD2 4.28Å; H6-Y8 PolarHBondContact ND1-N 2.64Å; H6-Y8 PolarHBondContact ND1-O 3.46Å
7	A	96.2	Very high	92.2	Very high	46 Å²	46	106.9 Å²	106.9	38%	0.38	57%	0.574	S	S	.	*	S	Bend	trans	-86.3	-1	-178.9	0	0	0	0	0	114.4	T72 P74	A7-T72 HydrophobicContact CB-CG2 4.43Å; A7-T72 WeakPolarHBondContact O-CG2 3.5Å; A7-T72 PolarHBondContact O-OG1 3.39Å; A7-P74 HydrophobicContact CB-CG 4.05Å
8	Y	97.1	Very high	92.5	Very high	153 Å²	153	107.5 Å²	107.5	60%	0.6	58%	0.577	S	S	*	*	S	Bend	trans	-72.7	153.9	178.7	-65.3	-71.3	0	0	0	113.1	H6 P74	H6-Y8 HydrophobicContact CB-CD2 4.28Å; H6-Y8 PolarHBondContact ND1-N 2.64Å; H6-Y8 PolarHBondContact ND1-O 3.46Å; Y8-P74 HydrophobicContact CE1-CB 4.4Å
9	H	97.1	Very high	92.8	Very high	40 Å²	40	104.2 Å²	104.2	19%	0.185	56%	0.561	C	S	.	*			trans	-90.6	118.5	178.9	-179.6	-158	0	0	0	110.9	V11 E64 H70 V75	H9-V11 PolarHBondContact O-N 3.02Å; H9-E64 IonicContact CE1-OE2 3.77Å; H9-E64 PolarHBondContact CE1-OE2 2.93Å; H9-H70 HydrophobicContact CB-CB 4.36Å; 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 3.45Å; H9-H70 AromaticContact NE2-CG 3.69Å; H9-V75 HydrophobicContact CB-CG2 4.09Å
10	M	96.8	Very high	93.1	Very high	131 Å²	131	99.9 Å²	99.9	65%	0.645	54%	0.542	S	S	*	.			trans	-90.2	92.5	171	-60	-58.2	-69.3	0	0	109.5
11	V	96.8	Very high	93.4	Very high	91 Å²	91	98.1 Å²	98.1	55%	0.552	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-63.3	137.7	-178	-173.7	0	0	0	0	110.2	H9	H9-V11 PolarHBondContact O-N 3.02Å
12	K	96.3	Very high	95.3	Very high	152 Å²	152	91.5 Å²	91.5	66%	0.661	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-69.7	155.3	176.8	-69.2	179.4	-177.6	176.2	0	111	S14	K12-S14 PolarHBondContact O-N 3.1Å
13	P	98.1	Very high	96.3	Very high	138 Å²	138	85 Å²	85	90%	0.896	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-51.4	127.9	171.1	-26.3	35.1	0	0	0	111
14	S	98	Very high	97	Very high	47 Å²	47	79.5 Å²	79.5	33%	0.329	45%	0.453	S	S	.	.			trans	-130.9	139.6	-174.8	173.6	0	0	0	0	110.5	K12 W16 P17	K12-S14 PolarHBondContact O-N 3.1Å; S14-W16 VanDerWaalsContact C-N 3.31Å; S14-W16 VanDerWaalsContact OG-CG 3.26Å; S14-W16 PolarHBondContact OG-N 3.44Å; S14-W16 PolarHBondContact OG-NE1 3.41Å; S14-P17 WeakPolarHBondContact O-CD 3.2Å
15	P	98.1	Very high	97.5	Very high	71 Å²	71	78.8 Å²	78.8	46%	0.461	45%	0.452	S	S	.	.	S	Bend	trans	-78.3	-14.6	176.8	32.7	-35.1	0	0	0	113.3	P17 L18 T19	P15-P17 VanDerWaalsContact C-CD 3.48Å; P15-L18 WeakPolarHBondContact O-CB 3.2Å; P15-L18 PolarHBondContact O-N 2.93Å; P15-T19 PolarHBondContact O-N 3.41Å
16	W	98.4	Very high	97.8	Very high	28 Å²	28	75 Å²	75	11%	0.106	42%	0.422	C	S	.	.	H	α-helix	trans	-60.6	-35.6	-170.1	-45.9	136.5	0	0	0	115	S14 L18 T19 G20 T53 Q56 W57 D60	S14-W16 VanDerWaalsContact C-N 3.31Å; S14-W16 VanDerWaalsContact OG-CG 3.26Å; S14-W16 PolarHBondContact OG-N 3.44Å; S14-W16 PolarHBondContact OG-NE1 3.41Å; W16-L18 VanDerWaalsContact C-N 3.33Å; W16-L18 PolarHBondContact O-N 3.04Å; W16-T19 WeakPolarHBondContact CA-OG1 3.48Å; W16-T19 PolarHBondContact O-N 2.92Å; W16-T19 PolarHBondContact O-OG1 3.46Å; W16-G20 PolarHBondContact O-N 3.03Å; W16-T53 HydrophobicContact CB-CG2 4.18Å; W16-T53 WeakPolarHBondContact O-CG2 3.47Å; W16-Q56 HydrophobicContact CD2-CB 4.08Å; W16-Q56 HydrophobicContact CE3-CB 4Å; W16-Q56 HydrophobicContact CH2-CB 3.58Å; W16-Q56 VanDerWaalsContact CH2-CD 3.45Å; W16-Q56 HydrophobicContact CH2-CG 3.96Å; W16-Q56 HydrophobicContact CZ2-CB 3.61Å; W16-Q56 HydrophobicContact CZ2-CG 4.36Å; W16-Q56 HydrophobicContact CZ3-CB 3.75Å; W16-Q56 VanDerWaalsContact CZ3-CD 3.46Å; W16-Q56 HydrophobicContact CZ3-CG 4.19Å; W16-Q56 VanDerWaalsContact CZ3-OE1 3.3Å; W16-W57 HydrophobicContact CB-CB 3.99Å; W16-W57 HydrophobicContact CB-CD2 3.58Å; W16-W57 HydrophobicContact CB-CE3 3.45Å; W16-W57 VanDerWaalsContact CB-CE3 3.45Å; W16-W57 HydrophobicContact CB-CG 3.85Å; W16-W57 HydrophobicContact CB-CZ3 4.1Å; W16-W57 AromaticContact CD1-CG 3.82Å; W16-W57 HydrophobicContact CG-CB 3.93Å; W16-W57 HydrophobicContact CG-CD2 4.32Å; W16-W57 HydrophobicContact CG-CG 4.08Å; W16-D60 PolarHBondContact NE1-OD2 3.17Å
17	P	98.6	Very high	98	Very high	70 Å²	70	72.9 Å²	72.9	46%	0.455	41%	0.413	S	S	.	.	H	α-helix	trans	-60.6	-40.4	172.9	-25.2	35.7	0	0	0	113	S14 P15 A21 W57	S14-P17 WeakPolarHBondContact O-CD 3.2Å; P15-P17 VanDerWaalsContact C-CD 3.48Å; P17-A21 WeakPolarHBondContact O-CB 3.46Å; P17-A21 PolarHBondContact O-N 2.94Å; P17-W57 HydrophobicContact CB-CH2 4.3Å; P17-W57 HydrophobicContact CG-CH2 3.86Å; P17-W57 HydrophobicContact CG-CZ2 4.22Å; P17-W57 HydrophobicContact CG-CZ3 4.44Å
18	L	98.5	Very high	98.1	Very high	118 Å²	118	75 Å²	75	62%	0.618	42%	0.421	S	S	*	.	H	α-helix	trans	-70.1	-46.4	178.5	177.9	63.7	0	0	0	111	P15 W16 G20 A21 L22	P15-L18 WeakPolarHBondContact O-CB 3.2Å; P15-L18 PolarHBondContact O-N 2.93Å; W16-L18 VanDerWaalsContact C-N 3.33Å; W16-L18 PolarHBondContact O-N 3.04Å; L18-G20 VanDerWaalsContact C-N 3.28Å; L18-G20 PolarHBondContact O-N 3.32Å; L18-A21 PolarHBondContact O-N 3.43Å; L18-L22 HydrophobicContact CD1-CD1 4.33Å; L18-L22 HydrophobicContact CD1-CG 4.43Å; L18-L22 HydrophobicContact CG-CD1 4.24Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.46Å
19	T	98.4	Very high	98.1	Very high	44 Å²	44	69.8 Å²	69.8	27%	0.27	41%	0.407	S	S	.	.	H	α-helix	trans	-65.9	-33.7	179.7	63.4	0	0	0	0	111.8	P15 W16 S23 T53	P15-T19 PolarHBondContact O-N 3.41Å; W16-T19 WeakPolarHBondContact CA-OG1 3.48Å; W16-T19 PolarHBondContact O-N 2.92Å; W16-T19 PolarHBondContact O-OG1 3.46Å; T19-S23 WeakPolarHBondContact O-CB 3.47Å; T19-S23 PolarHBondContact O-N 2.85Å; T19-S23 PolarHBondContact O-OG 3.47Å; T19-T53 WeakPolarHBondContact CB-OG1 3.43Å; T19-T53 WeakPolarHBondContact OG1-CG2 3.4Å; T19-T53 PolarHBondContact OG1-OG1 2.94Å
20	G	98.5	Very high	98.2	Very high	18 Å²	18	67.9 Å²	67.9	19%	0.186	40%	0.398	C	S	.	.	H	α-helix	trans	-69	-40.3	173.6	0	0	0	0	0	113.3	W16 L18 L22 S23 A24	W16-G20 PolarHBondContact O-N 3.03Å; L18-G20 VanDerWaalsContact C-N 3.28Å; L18-G20 PolarHBondContact O-N 3.32Å; G20-L22 VanDerWaalsContact C-N 3.34Å; G20-S23 WeakPolarHBondContact CA-OG 3.43Å; G20-S23 PolarHBondContact O-N 2.95Å; G20-S23 PolarHBondContact O-OG 3.22Å; G20-A24 PolarHBondContact O-N 3.31Å
21	A	98.6	Very high	98.3	Very high	64 Å²	64	65 Å²	65	53%	0.529	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-42	174	0	0	0	0	0	111.6	P17 L18 A24 L25	P17-A21 WeakPolarHBondContact O-CB 3.46Å; P17-A21 PolarHBondContact O-N 2.94Å; L18-A21 PolarHBondContact O-N 3.43Å; A21-A24 PolarHBondContact O-N 3.43Å; A21-L25 PolarHBondContact O-N 3.23Å; A21-L25 VanDerWaalsContact O-N 3.13Å
22	L	98.6	Very high	98.4	Very high	91 Å²	91	62.9 Å²	62.9	48%	0.476	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-39.4	175.8	-69.1	173.8	0	0	0	112.1	L18 G20 A24 L25 L26	L18-L22 HydrophobicContact CD1-CD1 4.33Å; L18-L22 HydrophobicContact CD1-CG 4.43Å; L18-L22 HydrophobicContact CG-CD1 4.24Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.46Å; G20-L22 VanDerWaalsContact C-N 3.34Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.97Å; L22-L25 WeakPolarHBondContact O-CB 3.49Å; L22-L25 PolarHBondContact O-N 3.15Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.99Å
23	S	98.6	Very high	98.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-38.7	176.2	67.6	0	0	0	0	111.8	T19 G20 L26 M27 T49 N50	T19-S23 WeakPolarHBondContact O-CB 3.47Å; T19-S23 PolarHBondContact O-N 2.85Å; T19-S23 PolarHBondContact O-OG 3.47Å; G20-S23 WeakPolarHBondContact CA-OG 3.43Å; G20-S23 PolarHBondContact O-N 2.95Å; G20-S23 PolarHBondContact O-OG 3.22Å; S23-L26 PolarHBondContact O-N 3.34Å; S23-M27 WeakPolarHBondContact O-CG 3.35Å; S23-M27 PolarHBondContact O-N 2.94Å; S23-T49 WeakPolarHBondContact CB-OG1 3.34Å; S23-N50 PolarHBondContact OG-OD1 3.07Å
24	A	98.6	Very high	98.5	Very high	45 Å²	45	56.9 Å²	56.9	37%	0.372	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-42.5	173.7	0	0	0	0	0	112.3	G20 A21 L22 M27 T28	G20-A24 PolarHBondContact O-N 3.31Å; A21-A24 PolarHBondContact O-N 3.43Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.97Å; A24-M27 PolarHBondContact O-N 3.39Å; A24-T28 WeakPolarHBondContact O-CB 3.42Å; A24-T28 WeakPolarHBondContact O-CG2 3.49Å; A24-T28 PolarHBondContact O-N 3.15Å; A24-T28 PolarHBondContact O-OG1 3.3Å
25	L	98.6	Very high	98.5	Very high	105 Å²	105	60.9 Å²	60.9	55%	0.55	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-45.4	173.9	177.5	63	0	0	0	111.6	A21 L22 T28 S29	A21-L25 PolarHBondContact O-N 3.23Å; A21-L25 VanDerWaalsContact O-N 3.13Å; L22-L25 WeakPolarHBondContact O-CB 3.49Å; L22-L25 PolarHBondContact O-N 3.15Å; L25-T28 PolarHBondContact O-OG1 3.38Å; L25-T28 VanDerWaalsContact O-OG1 3.11Å; L25-S29 WeakPolarHBondContact O-CB 3.45Å; L25-S29 PolarHBondContact O-N 3.31Å; L25-S29 PolarHBondContact O-OG 3.42Å
26	L	98.6	Very high	98.5	Very high	41 Å²	41	64.2 Å²	64.2	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-40.9	179	-67.9	173.3	0	0	0	112.3	L22 S23 S29 G30 L42 L45	L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.99Å; S23-L26 PolarHBondContact O-N 3.34Å; L26-S29 PolarHBondContact O-OG 2.97Å; L26-G30 VanDerWaalsContact O-CA 3.28Å; L26-G30 WeakPolarHBondContact O-CA 3.43Å; L26-G30 PolarHBondContact O-N 3.25Å; L26-L42 HydrophobicContact CD2-CD1 3.54Å; L26-L42 HydrophobicContact CD2-CG 4.24Å; L26-L45 HydrophobicContact CD1-CD2 4.39Å; L26-L45 HydrophobicContact CD1-CG 4.28Å
27	M	98.6	Very high	98.5	Very high	38 Å²	38	70.4 Å²	70.4	19%	0.187	39%	0.385	C	S	.	.	H	α-helix	trans	-67.2	-45.9	177.7	-71.5	-174.1	-62.5	0	0	111.9	S23 A24 G30 L31 L43 G46 L47 N50	S23-M27 WeakPolarHBondContact O-CG 3.35Å; S23-M27 PolarHBondContact O-N 2.94Å; A24-M27 PolarHBondContact O-N 3.39Å; M27-G30 PolarHBondContact O-N 2.94Å; M27-L31 WeakPolarHBondContact O-CG 3.5Å; M27-L31 PolarHBondContact O-N 3.41Å; M27-L43 HydrophobicContact CB-CD1 4.5Å; M27-G46 VanDerWaalsContact CG-C 3.48Å; M27-L47 HydrophobicContact CG-CD2 4.5Å; M27-L47 HydrophobicContact SD-CD2 3.86Å; M27-L47 HydrophobicContact SD-CG 4.47Å; M27-N50 HydrophobicContact CE-CB 3.95Å; M27-N50 HydrophobicContact SD-CB 3.95Å
28	T	98.6	Very high	98.4	Very high	90 Å²	90	75.2 Å²	75.2	55%	0.552	40%	0.401	S	S	*	.	H	α-helix	trans	-67.6	-47.6	-178.7	49.1	0	0	0	0	112.2	A24 L25 G30 L31 A32	A24-T28 WeakPolarHBondContact O-CB 3.42Å; A24-T28 WeakPolarHBondContact O-CG2 3.49Å; A24-T28 PolarHBondContact O-N 3.15Å; A24-T28 PolarHBondContact O-OG1 3.3Å; L25-T28 PolarHBondContact O-OG1 3.38Å; L25-T28 VanDerWaalsContact O-OG1 3.11Å; T28-G30 VanDerWaalsContact C-N 3.3Å; T28-G30 PolarHBondContact O-N 3.23Å; T28-L31 PolarHBondContact O-N 3.15Å; T28-A32 PolarHBondContact O-N 2.86Å
29	S	98.4	Very high	98.4	Very high	44 Å²	44	70.9 Å²	70.9	31%	0.308	38%	0.381	S	S	.	.	H	α-helix	trans	-66.3	-33.4	173.3	59.4	0	0	0	0	112.2	L25 L26 A32 M33 L42	L25-S29 WeakPolarHBondContact O-CB 3.45Å; L25-S29 PolarHBondContact O-N 3.31Å; L25-S29 PolarHBondContact O-OG 3.42Å; L26-S29 PolarHBondContact O-OG 2.97Å; S29-A32 PolarHBondContact O-N 2.95Å; S29-M33 WeakPolarHBondContact O-CB 3.45Å; S29-M33 PolarHBondContact O-N 2.71Å; S29-L42 VanDerWaalsContact OG-CD2 3.31Å; S29-L42 WeakPolarHBondContact OG-CD2 3.28Å
30	G	98.6	Very high	98.4	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-66.4	-38.7	174.9	0	0	0	0	0	113.5	L26 M27 T28 M33 W34	L26-G30 VanDerWaalsContact O-CA 3.28Å; L26-G30 WeakPolarHBondContact O-CA 3.43Å; L26-G30 PolarHBondContact O-N 3.25Å; M27-G30 PolarHBondContact O-N 2.94Å; T28-G30 VanDerWaalsContact C-N 3.3Å; T28-G30 PolarHBondContact O-N 3.23Å; G30-M33 PolarHBondContact O-N 3.25Å; G30-W34 WeakPolarHBondContact O-CB 3.43Å; G30-W34 PolarHBondContact O-N 3.44Å
31	L	98.4	Very high	98.4	Very high	70 Å²	70	77.1 Å²	77.1	37%	0.366	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-45	171.6	-78.8	172.5	0	0	0	111.2	M27 T28 M33 W34 F35 L43	M27-L31 WeakPolarHBondContact O-CG 3.5Å; M27-L31 PolarHBondContact O-N 3.41Å; T28-L31 PolarHBondContact O-N 3.15Å; L31-M33 VanDerWaalsContact C-N 3.29Å; L31-M33 PolarHBondContact O-N 2.75Å; L31-W34 HydrophobicContact CD2-CE3 3.98Å; L31-W34 HydrophobicContact CD2-CZ3 4.31Å; L31-W34 PolarHBondContact O-N 2.94Å; L31-F35 HydrophobicContact CD2-CZ 4.39Å; L31-F35 WeakPolarHBondContact O-CD2 3.4Å; L31-F35 WeakPolarHBondContact O-CG 3.34Å; L31-F35 PolarHBondContact O-N 3.27Å; L31-L43 HydrophobicContact CD2-CD1 4.12Å; L31-L43 HydrophobicContact CD2-CD2 3.91Å; L31-L43 HydrophobicContact CG-CD1 3.96Å
32	A	98.5	Very high	98.4	Very high	47 Å²	47	76.4 Å²	76.4	39%	0.388	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-40.2	174.4	0	0	0	0	0	111.7	T28 S29 W34 H36	T28-A32 PolarHBondContact O-N 2.86Å; S29-A32 PolarHBondContact O-N 2.95Å; A32-W34 VanDerWaalsContact C-N 3.35Å; A32-H36 WeakPolarHBondContact O-CB 3.23Å; A32-H36 PolarHBondContact O-CD2 3.44Å; A32-H36 PolarHBondContact O-N 3.21Å
33	M	98.4	Very high	98.4	Very high	66 Å²	66	73 Å²	73	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-64.2	-40.2	176	-163	-174.5	-169.5	0	0	111.9	S29 G30 L31 F37 H38 S39 L42	S29-M33 WeakPolarHBondContact O-CB 3.45Å; S29-M33 PolarHBondContact O-N 2.71Å; G30-M33 PolarHBondContact O-N 3.25Å; L31-M33 VanDerWaalsContact C-N 3.29Å; L31-M33 PolarHBondContact O-N 2.75Å; M33-F37 HydrophobicContact CG-CB 4.24Å; M33-F37 CarbonylContact O-C 3.31Å; M33-F37 VanDerWaalsContact O-C 3.31Å; M33-F37 VanDerWaalsContact O-CA 3.25Å; M33-F37 WeakPolarHBondContact O-CA 3.32Å; M33-F37 VanDerWaalsContact O-CB 3.32Å; M33-F37 WeakPolarHBondContact O-CB 3.42Å; M33-F37 PolarHBondContact O-N 3.12Å; M33-H38 PolarHBondContact O-N 2.98Å; M33-S39 CarbonylContact C-O 3.54Å; M33-L42 HydrophobicContact SD-CB 4.04Å
34	W	98.6	Very high	98.4	Very high	98 Å²	98	78.8 Å²	78.8	37%	0.371	41%	0.408	S	S	.	.	H	α-helix	trans	-65.8	-50.5	177.6	176	33.6	0	0	0	111.4	G30 L31 A32 H36 H38 S39 M40 L43	G30-W34 WeakPolarHBondContact O-CB 3.43Å; G30-W34 PolarHBondContact O-N 3.44Å; L31-W34 HydrophobicContact CD2-CE3 3.98Å; L31-W34 HydrophobicContact CD2-CZ3 4.31Å; L31-W34 PolarHBondContact O-N 2.94Å; A32-W34 VanDerWaalsContact C-N 3.35Å; W34-H36 PolarHBondContact O-N 3Å; W34-H38 WeakPolarHBondContact O-CA 3.41Å; W34-H38 PolarHBondContact O-N 3.38Å; W34-H38 VanDerWaalsContact O-N 3.07Å; W34-S39 WeakPolarHBondContact CA-O 3.38Å; W34-S39 PolarHBondContact N-O 2.97Å; W34-M40 HydrophobicContact CB-CG 4.48Å; W34-M40 HydrophobicContact CD2-CE 4.18Å; W34-M40 HydrophobicContact CD2-CG 4.47Å; W34-M40 HydrophobicContact CG-CE 4.39Å; W34-M40 HydrophobicContact CG-CG 3.95Å; W34-M40 HydrophobicContact CZ2-CE 3.68Å; W34-L43 HydrophobicContact CE3-CD2 4.09Å
35	F	98.3	Very high	98.4	Very high	130 Å²	130	80.6 Å²	80.6	57%	0.57	41%	0.411	S	S	*	.	H	α-helix	trans	-68	-33.5	-176.5	-66.1	-33.1	0	0	0	114.2	L31	L31-F35 HydrophobicContact CD2-CZ 4.39Å; L31-F35 WeakPolarHBondContact O-CD2 3.4Å; L31-F35 WeakPolarHBondContact O-CG 3.34Å; L31-F35 PolarHBondContact O-N 3.27Å
36	H	98.4	Very high	98.4	Very high	142 Å²	142	75.6 Å²	75.6	66%	0.657	39%	0.385	S	S	*	.	H	α-helix	trans	-104.2	-25.6	-175.4	-64.7	-64.6	0	0	0	114.3	A32 W34	A32-H36 WeakPolarHBondContact O-CB 3.23Å; A32-H36 PolarHBondContact O-CD2 3.44Å; A32-H36 PolarHBondContact O-N 3.21Å; W34-H36 PolarHBondContact O-N 3Å
37	F	98.1	Very high	98.4	Very high	157 Å²	157	77.8 Å²	77.8	69%	0.689	40%	0.396	S	S	*	.	H	α-helix	trans	-126.4	8.2	-173.5	-54.9	-84.8	0	0	0	113.3	M33 S39	M33-F37 HydrophobicContact CG-CB 4.24Å; M33-F37 CarbonylContact O-C 3.31Å; M33-F37 VanDerWaalsContact O-C 3.31Å; M33-F37 VanDerWaalsContact O-CA 3.25Å; M33-F37 WeakPolarHBondContact O-CA 3.32Å; M33-F37 VanDerWaalsContact O-CB 3.32Å; M33-F37 WeakPolarHBondContact O-CB 3.42Å; M33-F37 PolarHBondContact O-N 3.12Å; F37-S39 PolarHBondContact O-N 3.3Å
38	H	97.4	Very high	98.4	Very high	171 Å²	171	80.8 Å²	80.8	79%	0.792	41%	0.413	S	S	*	.			trans	56.4	23.1	174.9	-64.4	68.4	0	0	0	114.6	M33 W34	M33-H38 PolarHBondContact O-N 2.98Å; W34-H38 WeakPolarHBondContact O-CA 3.41Å; W34-H38 PolarHBondContact O-N 3.38Å; W34-H38 VanDerWaalsContact O-N 3.07Å
39	S	98.1	Very high	98.4	Very high	27 Å²	27	78.5 Å²	78.5	19%	0.189	40%	0.398	C	S	.	.			trans	-112.4	122.7	178.2	177.2	0	0	0	0	111	M33 W34 F37 T41	M33-S39 CarbonylContact C-O 3.54Å; W34-S39 WeakPolarHBondContact CA-O 3.38Å; W34-S39 PolarHBondContact N-O 2.97Å; F37-S39 PolarHBondContact O-N 3.3Å; S39-T41 PolarHBondContact OG-OG1 2.89Å; S39-T41 VanDerWaalsContact OG-OG1 3.1Å
40	M	98.2	Very high	98.4	Very high	91 Å²	91	78.4 Å²	78.4	45%	0.448	39%	0.394	S	S	.	.			trans	-95.3	-2.6	177	-65.4	178.4	176.4	0	0	113.3	W34 L42 L43 M44	W34-M40 HydrophobicContact CB-CG 4.48Å; W34-M40 HydrophobicContact CD2-CE 4.18Å; W34-M40 HydrophobicContact CD2-CG 4.47Å; W34-M40 HydrophobicContact CG-CE 4.39Å; W34-M40 HydrophobicContact CG-CG 3.95Å; W34-M40 HydrophobicContact CZ2-CE 3.68Å; M40-L42 VanDerWaalsContact C-N 3.33Å; M40-L42 PolarHBondContact O-N 3.29Å; M40-L43 PolarHBondContact O-N 3.37Å; M40-L43 VanDerWaalsContact O-N 3.16Å; M40-M44 HydrophobicContact CB-CG 4.38Å; M40-M44 WeakPolarHBondContact O-CG 3.28Å; M40-M44 PolarHBondContact O-N 3.42Å
41	T	98.3	Very high	98.4	Very high	102 Å²	102	80.8 Å²	80.8	63%	0.626	41%	0.414	S	S	*	.	H	α-helix	trans	-58	-45.3	-171	55.8	0	0	0	0	112.4	S39 M44 L45	S39-T41 PolarHBondContact OG-OG1 2.89Å; S39-T41 VanDerWaalsContact OG-OG1 3.1Å; T41-M44 PolarHBondContact O-N 3.44Å; T41-L45 PolarHBondContact O-N 2.93Å; T41-L45 VanDerWaalsContact O-N 3.09Å
42	L	98.1	Very high	98.4	Very high	49 Å²	49	81.4 Å²	81.4	26%	0.257	42%	0.417	S	S	.	.	H	α-helix	trans	-68.6	-39.1	179.6	-164.7	67.3	0	0	0	112	L26 S29 M33 M40 L45 G46	L26-L42 HydrophobicContact CD2-CD1 3.54Å; L26-L42 HydrophobicContact CD2-CG 4.24Å; S29-L42 VanDerWaalsContact OG-CD2 3.31Å; S29-L42 WeakPolarHBondContact OG-CD2 3.28Å; M33-L42 HydrophobicContact SD-CB 4.04Å; M40-L42 VanDerWaalsContact C-N 3.33Å; M40-L42 PolarHBondContact O-N 3.29Å; L42-L45 PolarHBondContact O-N 3.34Å; L42-G46 PolarHBondContact O-N 3.08Å
43	L	98.5	Very high	98.4	Very high	20 Å²	20	79.5 Å²	79.5	11%	0.105	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-46.9	175.7	179.2	58.4	0	0	0	111.3	M27 L31 W34 M40 L45 G46 L47	M27-L43 HydrophobicContact CB-CD1 4.5Å; L31-L43 HydrophobicContact CD2-CD1 4.12Å; L31-L43 HydrophobicContact CD2-CD2 3.91Å; L31-L43 HydrophobicContact CG-CD1 3.96Å; W34-L43 HydrophobicContact CE3-CD2 4.09Å; M40-L43 PolarHBondContact O-N 3.37Å; M40-L43 VanDerWaalsContact O-N 3.16Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 2.95Å; L43-G46 PolarHBondContact O-N 3.15Å; L43-G46 VanDerWaalsContact O-N 3.17Å; L43-L47 HydrophobicContact CD1-CD1 4.33Å; L43-L47 HydrophobicContact CD1-CG 4.32Å; L43-L47 HydrophobicContact CG-CD1 4.14Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.19Å
44	M	98.5	Very high	98.4	Very high	121 Å²	121	79.8 Å²	79.8	60%	0.596	40%	0.402	S	S	*	.	H	α-helix	trans	-63.4	-38.8	178.9	-66.2	-59.5	-78.5	0	0	111.9	M40 T41 L47 L48	M40-M44 HydrophobicContact CB-CG 4.38Å; M40-M44 WeakPolarHBondContact O-CG 3.28Å; M40-M44 PolarHBondContact O-N 3.42Å; T41-M44 PolarHBondContact O-N 3.44Å; M44-L47 PolarHBondContact O-N 3.22Å; M44-L47 HydrophobicContact SD-CD1 4.31Å; M44-L48 WeakPolarHBondContact O-CB 3.44Å; M44-L48 PolarHBondContact O-N 3.05Å
45	L	98.4	Very high	98.4	Very high	84 Å²	84	82.4 Å²	82.4	44%	0.44	41%	0.413	S	S	.	.	H	α-helix	trans	-65.2	-41.8	173.2	-177.2	64	0	0	0	111.9	L26 T41 L42 L43 L48 T49	L26-L45 HydrophobicContact CD1-CD2 4.39Å; L26-L45 HydrophobicContact CD1-CG 4.28Å; T41-L45 PolarHBondContact O-N 2.93Å; T41-L45 VanDerWaalsContact O-N 3.09Å; L42-L45 PolarHBondContact O-N 3.34Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 2.95Å; L45-L48 PolarHBondContact O-N 2.95Å; L45-T49 HydrophobicContact CD1-CG2 4.28Å; L45-T49 WeakPolarHBondContact O-CB 3.38Å; L45-T49 WeakPolarHBondContact O-CG2 3.37Å; L45-T49 PolarHBondContact O-N 3.32Å; L45-T49 PolarHBondContact O-OG1 3.43Å
46	G	98.6	Very high	98.4	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-60	-47.5	174.6	0	0	0	0	0	112.3	M27 L42 L43 L48 T49 N50	M27-G46 VanDerWaalsContact CG-C 3.48Å; L42-G46 PolarHBondContact O-N 3.08Å; L43-G46 PolarHBondContact O-N 3.15Å; L43-G46 VanDerWaalsContact O-N 3.17Å; G46-L48 PolarHBondContact O-N 3.3Å; G46-T49 PolarHBondContact O-N 2.83Å; G46-T49 PolarHBondContact O-OG1 3.43Å; G46-N50 VanDerWaalsContact O-CB 3.24Å; G46-N50 WeakPolarHBondContact O-CB 3.42Å; G46-N50 PolarHBondContact O-N 3.26Å
47	L	98.5	Very high	98.4	Very high	86 Å²	86	77.3 Å²	77.3	45%	0.45	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-43.9	177	-71.2	169.5	0	0	0	112	M27 L43 M44 N50 A51	M27-L47 HydrophobicContact CG-CD2 4.5Å; M27-L47 HydrophobicContact SD-CD2 3.86Å; M27-L47 HydrophobicContact SD-CG 4.47Å; L43-L47 HydrophobicContact CD1-CD1 4.33Å; L43-L47 HydrophobicContact CD1-CG 4.32Å; L43-L47 HydrophobicContact CG-CD1 4.14Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.19Å; M44-L47 PolarHBondContact O-N 3.22Å; M44-L47 HydrophobicContact SD-CD1 4.31Å; L47-N50 PolarHBondContact O-N 3.44Å; L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3Å
48	L	98.5	Very high	98.4	Very high	102 Å²	102	77.7 Å²	77.7	53%	0.534	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-50.1	177.3	177.5	63	0	0	0	111.9	M44 L45 G46 N50 A51 L52	M44-L48 WeakPolarHBondContact O-CB 3.44Å; M44-L48 PolarHBondContact O-N 3.05Å; L45-L48 PolarHBondContact O-N 2.95Å; G46-L48 PolarHBondContact O-N 3.3Å; L48-N50 VanDerWaalsContact C-N 3.29Å; L48-N50 PolarHBondContact O-N 2.97Å; L48-A51 PolarHBondContact O-N 2.99Å; L48-L52 HydrophobicContact CD1-CD1 4.35Å; L48-L52 HydrophobicContact CD1-CG 4.43Å; L48-L52 HydrophobicContact CG-CD1 4.25Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 2.98Å
49	T	98.5	Very high	98.5	Very high	41 Å²	41	73.1 Å²	73.1	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-65.7	-33.2	179.9	51.8	0	0	0	0	112.2	S23 L45 G46 T53	S23-T49 WeakPolarHBondContact CB-OG1 3.34Å; L45-T49 HydrophobicContact CD1-CG2 4.28Å; L45-T49 WeakPolarHBondContact O-CB 3.38Å; L45-T49 WeakPolarHBondContact O-CG2 3.37Å; L45-T49 PolarHBondContact O-N 3.32Å; L45-T49 PolarHBondContact O-OG1 3.43Å; G46-T49 PolarHBondContact O-N 2.83Å; G46-T49 PolarHBondContact O-OG1 3.43Å; T49-T53 WeakPolarHBondContact O-CB 3.5Å; T49-T53 PolarHBondContact O-N 3.27Å; T49-T53 PolarHBondContact O-OG1 3.07Å
50	N	98.7	Very high	98.5	Very high	42 Å²	42	73.2 Å²	73.2	23%	0.225	36%	0.358	C	S	.	.	H	α-helix	trans	-64.2	-49.2	172.5	-167.7	59.4	0	0	0	111.5	S23 M27 G46 L47 L48 L52 T53 M54	S23-N50 PolarHBondContact OG-OD1 3.07Å; M27-N50 HydrophobicContact CE-CB 3.95Å; M27-N50 HydrophobicContact SD-CB 3.95Å; G46-N50 VanDerWaalsContact O-CB 3.24Å; G46-N50 WeakPolarHBondContact O-CB 3.42Å; G46-N50 PolarHBondContact O-N 3.26Å; L47-N50 PolarHBondContact O-N 3.44Å; L48-N50 VanDerWaalsContact C-N 3.29Å; L48-N50 PolarHBondContact O-N 2.97Å; N50-L52 VanDerWaalsContact C-N 3.34Å; N50-L52 PolarHBondContact O-N 2.86Å; N50-T53 PolarHBondContact O-N 2.85Å; N50-M54 VanDerWaalsContact ND2-CE 3.34Å; N50-M54 WeakPolarHBondContact ND2-CE 3.41Å; N50-M54 WeakPolarHBondContact O-CG 3.47Å; N50-M54 PolarHBondContact O-N 3.03Å
51	A	98.4	Very high	98.5	Very high	50 Å²	50	71.1 Å²	71.1	41%	0.413	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-43.5	177.8	0	0	0	0	0	112	L47 L48 M54 Y55	L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3Å; L48-A51 PolarHBondContact O-N 2.99Å; A51-M54 PolarHBondContact O-N 3.38Å; A51-Y55 WeakPolarHBondContact O-CB 3.45Å; A51-Y55 PolarHBondContact O-N 2.99Å
52	L	98.5	Very high	98.5	Very high	83 Å²	83	67.4 Å²	67.4	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-42.8	175.3	-71.9	174.7	0	0	0	112	L48 N50 Y55 Q56	L48-L52 HydrophobicContact CD1-CD1 4.35Å; L48-L52 HydrophobicContact CD1-CG 4.43Å; L48-L52 HydrophobicContact CG-CD1 4.25Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 2.98Å; N50-L52 VanDerWaalsContact C-N 3.34Å; N50-L52 PolarHBondContact O-N 2.86Å; L52-Y55 PolarHBondContact O-N 3.29Å; L52-Q56 WeakPolarHBondContact O-CB 3.45Å; L52-Q56 WeakPolarHBondContact O-CG 3.49Å; L52-Q56 PolarHBondContact O-N 3.41Å; L52-Q56 PolarHBondContact O-NE2 3.46Å
53	T	98.8	Very high	98.5	Very high	8 Å²	8	70.1 Å²	70.1	5%	0.049	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-50.6	178	-62.7	0	0	0	0	110.5	W16 T19 T49 N50 Y55 Q56 W57	W16-T53 HydrophobicContact CB-CG2 4.18Å; W16-T53 WeakPolarHBondContact O-CG2 3.47Å; T19-T53 WeakPolarHBondContact CB-OG1 3.43Å; T19-T53 WeakPolarHBondContact OG1-CG2 3.4Å; T19-T53 PolarHBondContact OG1-OG1 2.94Å; T49-T53 WeakPolarHBondContact O-CB 3.5Å; T49-T53 PolarHBondContact O-N 3.27Å; T49-T53 PolarHBondContact O-OG1 3.07Å; N50-T53 PolarHBondContact O-N 2.85Å; T53-Y55 PolarHBondContact O-N 2.79Å; T53-Q56 PolarHBondContact O-N 3.01Å; T53-W57 HydrophobicContact CG2-CE3 4.14Å; T53-W57 WeakPolarHBondContact O-CB 3.41Å; T53-W57 PolarHBondContact O-N 3.06Å
54	M	98.4	Very high	98.5	Very high	71 Å²	71	70.8 Å²	70.8	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-58.1	-46.3	177.9	-73.8	-170.6	-59.8	0	0	112.2	N50 A51 W58	N50-M54 VanDerWaalsContact ND2-CE 3.34Å; N50-M54 WeakPolarHBondContact ND2-CE 3.41Å; N50-M54 WeakPolarHBondContact O-CG 3.47Å; N50-M54 PolarHBondContact O-N 3.03Å; A51-M54 PolarHBondContact O-N 3.38Å; M54-W58 HydrophobicContact CB-CE3 3.89Å; M54-W58 HydrophobicContact CB-CH2 4.04Å; M54-W58 HydrophobicContact CB-CZ3 3.56Å; M54-W58 HydrophobicContact CG-CH2 4Å; M54-W58 HydrophobicContact CG-CZ3 4.05Å; M54-W58 WeakPolarHBondContact O-CB 3.43Å; M54-W58 VanDerWaalsContact O-CE3 3.28Å; M54-W58 PolarHBondContact O-N 3.05Å; M54-W58 HydrophobicContact SD-CH2 3.74Å; M54-W58 HydrophobicContact SD-CZ3 4.02Å
55	Y	98.4	Very high	98.5	Very high	154 Å²	154	65.6 Å²	65.6	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-58.7	-50.7	177.3	170.2	-105.5	0	0	0	112.3	A51 L52 T53 R59	A51-Y55 WeakPolarHBondContact O-CB 3.45Å; A51-Y55 PolarHBondContact O-N 2.99Å; L52-Y55 PolarHBondContact O-N 3.29Å; T53-Y55 PolarHBondContact O-N 2.79Å; Y55-R59 WeakPolarHBondContact O-CB 3.49Å; Y55-R59 PolarHBondContact O-N 2.89Å
56	Q	98.6	Very high	98.5	Very high	53 Å²	53	63.9 Å²	63.9	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-70.4	-38.2	-176.3	-70.7	165.3	97.8	0	0	112.1	W16 L52 T53 R59 D60	W16-Q56 HydrophobicContact CD2-CB 4.08Å; W16-Q56 HydrophobicContact CE3-CB 4Å; W16-Q56 HydrophobicContact CH2-CB 3.58Å; W16-Q56 VanDerWaalsContact CH2-CD 3.45Å; W16-Q56 HydrophobicContact CH2-CG 3.96Å; W16-Q56 HydrophobicContact CZ2-CB 3.61Å; W16-Q56 HydrophobicContact CZ2-CG 4.36Å; W16-Q56 HydrophobicContact CZ3-CB 3.75Å; W16-Q56 VanDerWaalsContact CZ3-CD 3.46Å; W16-Q56 HydrophobicContact CZ3-CG 4.19Å; W16-Q56 VanDerWaalsContact CZ3-OE1 3.3Å; L52-Q56 WeakPolarHBondContact O-CB 3.45Å; L52-Q56 WeakPolarHBondContact O-CG 3.49Å; L52-Q56 PolarHBondContact O-N 3.41Å; L52-Q56 PolarHBondContact O-NE2 3.46Å; T53-Q56 PolarHBondContact O-N 3.01Å; Q56-R59 WeakPolarHBondContact O-CB 3.38Å; Q56-R59 PolarHBondContact O-N 3.22Å; Q56-D60 VanDerWaalsContact O-CG 3.31Å; Q56-D60 PolarHBondContact O-N 3.36Å
57	W	98.8	Very high	98.4	Very high	112 Å²	112	70.8 Å²	70.8	42%	0.424	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-51.4	178.1	-161.7	-20.8	0	0	0	111.1	W16 P17 T53 R59 D60 V61	W16-W57 HydrophobicContact CB-CB 3.99Å; W16-W57 HydrophobicContact CB-CD2 3.58Å; W16-W57 HydrophobicContact CB-CE3 3.45Å; W16-W57 VanDerWaalsContact CB-CE3 3.45Å; W16-W57 HydrophobicContact CB-CG 3.85Å; W16-W57 HydrophobicContact CB-CZ3 4.1Å; W16-W57 AromaticContact CD1-CG 3.82Å; W16-W57 HydrophobicContact CG-CB 3.93Å; W16-W57 HydrophobicContact CG-CD2 4.32Å; W16-W57 HydrophobicContact CG-CG 4.08Å; P17-W57 HydrophobicContact CB-CH2 4.3Å; P17-W57 HydrophobicContact CG-CH2 3.86Å; P17-W57 HydrophobicContact CG-CZ2 4.22Å; P17-W57 HydrophobicContact CG-CZ3 4.44Å; T53-W57 HydrophobicContact CG2-CE3 4.14Å; T53-W57 WeakPolarHBondContact O-CB 3.41Å; T53-W57 PolarHBondContact O-N 3.06Å; W57-R59 VanDerWaalsContact C-N 3.3Å; W57-R59 PolarHBondContact O-N 3.44Å; W57-D60 PolarHBondContact O-N 3.3Å; W57-D60 VanDerWaalsContact O-N 3.07Å; W57-V61 PolarHBondContact O-N 3.07Å
58	W	98.6	Very high	98.4	Very high	165 Å²	165	71.3 Å²	71.3	63%	0.625	33%	0.333	S	S	*	.	H	α-helix	trans	-69.8	-27.4	179.3	-69.1	-41.3	0	0	0	113.6	M54 D60 T62	M54-W58 HydrophobicContact CB-CE3 3.89Å; M54-W58 HydrophobicContact CB-CH2 4.04Å; M54-W58 HydrophobicContact CB-CZ3 3.56Å; M54-W58 HydrophobicContact CG-CH2 4Å; M54-W58 HydrophobicContact CG-CZ3 4.05Å; M54-W58 WeakPolarHBondContact O-CB 3.43Å; M54-W58 VanDerWaalsContact O-CE3 3.28Å; M54-W58 PolarHBondContact O-N 3.05Å; M54-W58 HydrophobicContact SD-CH2 3.74Å; M54-W58 HydrophobicContact SD-CZ3 4.02Å; W58-D60 VanDerWaalsContact C-N 3.34Å; W58-T62 PolarHBondContact O-N 3.44Å; W58-T62 PolarHBondContact O-OG1 3.16Å
59	R	98.6	Very high	98.4	Very high	74 Å²	74	68.9 Å²	68.9	28%	0.279	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-45.8	167.5	179.5	-158.2	70.9	-170.2	-3.2	110.8	Y55 Q56 W57 T62 R63	Y55-R59 WeakPolarHBondContact O-CB 3.49Å; Y55-R59 PolarHBondContact O-N 2.89Å; Q56-R59 WeakPolarHBondContact O-CB 3.38Å; Q56-R59 PolarHBondContact O-N 3.22Å; W57-R59 VanDerWaalsContact C-N 3.3Å; W57-R59 PolarHBondContact O-N 3.44Å; R59-T62 WeakPolarHBondContact O-CB 3.49Å; R59-T62 PolarHBondContact O-N 3.02Å; R59-R63 VanDerWaalsContact CZ-NH1 3.27Å; R59-R63 VanDerWaalsContact NE-CZ 3.28Å; R59-R63 VanDerWaalsContact NE-NH1 3.15Å; R59-R63 WeakPolarHBondContact O-CG 3.42Å; R59-R63 PolarHBondContact O-N 3.39Å
60	D	98.6	Very high	98.3	Very high	30 Å²	30	69.9 Å²	69.9	16%	0.16	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-39.6	-179.5	-68.1	-11.6	0	0	0	111.8	W16 Q56 W57 W58 T62 R63 E64	W16-D60 PolarHBondContact NE1-OD2 3.17Å; Q56-D60 VanDerWaalsContact O-CG 3.31Å; Q56-D60 PolarHBondContact O-N 3.36Å; W57-D60 PolarHBondContact O-N 3.3Å; W57-D60 VanDerWaalsContact O-N 3.07Å; W58-D60 VanDerWaalsContact C-N 3.34Å; D60-T62 VanDerWaalsContact C-N 3.27Å; D60-T62 PolarHBondContact O-N 3.43Å; D60-R63 WeakPolarHBondContact O-CA 3.43Å; D60-R63 WeakPolarHBondContact O-CB 3.39Å; D60-R63 PolarHBondContact O-N 3.17Å; D60-R63 IonicContact OD1-CZ 2.94Å; D60-R63 IonicContact OD1-NE 3.57Å; D60-R63 IonicContact OD1-NH1 3.99Å; D60-R63 PolarHBondContact OD1-NH1 3.3Å; D60-E64 WeakPolarHBondContact O-CB 3.38Å; D60-E64 VanDerWaalsContact O-CG 3.28Å; D60-E64 WeakPolarHBondContact O-CG 3.45Å; D60-E64 PolarHBondContact O-N 2.82Å
61	V	98.6	Very high	98.3	Very high	46 Å²	46	68.9 Å²	68.9	28%	0.279	33%	0.328	S	S	.	.	H	α-helix	trans	-57.4	-41.8	170.6	174.5	0	0	0	0	111.3	W57 R63 E64 S65	W57-V61 PolarHBondContact O-N 3.07Å; V61-R63 VanDerWaalsContact C-N 3.31Å; V61-R63 PolarHBondContact O-N 3.31Å; V61-E64 PolarHBondContact O-N 2.93Å; V61-S65 WeakPolarHBondContact O-CB 3.49Å; V61-S65 PolarHBondContact O-N 3.4Å; V61-S65 PolarHBondContact O-OG 2.89Å
62	T	98.4	Very high	98.3	Very high	25 Å²	25	68.4 Å²	68.4	15%	0.153	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-37.9	175.5	-58.7	0	0	0	0	111.5	W58 R59 D60 S65 T66	W58-T62 PolarHBondContact O-N 3.44Å; W58-T62 PolarHBondContact O-OG1 3.16Å; R59-T62 WeakPolarHBondContact O-CB 3.49Å; R59-T62 PolarHBondContact O-N 3.02Å; D60-T62 VanDerWaalsContact C-N 3.27Å; D60-T62 PolarHBondContact O-N 3.43Å; T62-S65 PolarHBondContact O-OG 3.4Å; T62-T66 VanDerWaalsContact O-CB 3.28Å; T62-T66 WeakPolarHBondContact O-CB 3.34Å; T62-T66 PolarHBondContact O-N 3.27Å
63	R	98.6	Very high	98.2	Very high	105 Å²	105	69.3 Å²	69.3	40%	0.396	33%	0.331	S	S	.	.	I	π-helix	trans	-66.6	-47.4	176.6	-68.7	165.6	171.2	178.8	-8.3	111.9	R59 D60 V61 S65 Y67 Q68	R59-R63 VanDerWaalsContact CZ-NH1 3.27Å; R59-R63 VanDerWaalsContact NE-CZ 3.28Å; R59-R63 VanDerWaalsContact NE-NH1 3.15Å; R59-R63 WeakPolarHBondContact O-CG 3.42Å; R59-R63 PolarHBondContact O-N 3.39Å; D60-R63 WeakPolarHBondContact O-CA 3.43Å; D60-R63 WeakPolarHBondContact O-CB 3.39Å; D60-R63 PolarHBondContact O-N 3.17Å; D60-R63 IonicContact OD1-CZ 2.94Å; D60-R63 IonicContact OD1-NE 3.57Å; D60-R63 IonicContact OD1-NH1 3.99Å; D60-R63 PolarHBondContact OD1-NH1 3.3Å; V61-R63 VanDerWaalsContact C-N 3.31Å; V61-R63 PolarHBondContact O-N 3.31Å; R63-S65 VanDerWaalsContact C-N 3.27Å; R63-S65 PolarHBondContact O-N 3Å; R63-Y67 HydrophobicContact CB-CD2 4.06Å; R63-Y67 HydrophobicContact CG-CD2 3.87Å; R63-Y67 HydrophobicContact CG-CE2 4.14Å; R63-Y67 PolarHBondContact O-N 3.16Å; R63-Y67 VanDerWaalsContact O-N 3.07Å; R63-Q68 PolarHBondContact O-N 3.47Å
64	E	98.5	Very high	98.2	Very high	35 Å²	35	71.6 Å²	71.6	16%	0.164	35%	0.346	C	S	.	.	I	π-helix	trans	-60.9	-38.2	178.8	-70.1	164.5	180	0	0	111.3	H9 D60 V61 G69 H70	H9-E64 IonicContact CE1-OE2 3.77Å; H9-E64 PolarHBondContact CE1-OE2 2.93Å; D60-E64 WeakPolarHBondContact O-CB 3.38Å; D60-E64 VanDerWaalsContact O-CG 3.28Å; D60-E64 WeakPolarHBondContact O-CG 3.45Å; D60-E64 PolarHBondContact O-N 2.82Å; V61-E64 PolarHBondContact O-N 2.93Å; E64-G69 PolarHBondContact O-N 3.23Å; E64-H70 WeakPolarHBondContact O-CB 3.26Å; E64-H70 PolarHBondContact O-N 2.96Å
65	S	97.9	Very high	98.2	Very high	11 Å²	11	69.2 Å²	69.2	8%	0.077	34%	0.335	C	S	.	.	I	π-helix	trans	-78.1	-59.7	178.3	73.6	0	0	0	0	112.9	V61 T62 R63 G69 H71	V61-S65 WeakPolarHBondContact O-CB 3.49Å; V61-S65 PolarHBondContact O-N 3.4Å; V61-S65 PolarHBondContact O-OG 2.89Å; T62-S65 PolarHBondContact O-OG 3.4Å; R63-S65 VanDerWaalsContact C-N 3.27Å; R63-S65 PolarHBondContact O-N 3Å; S65-G69 WeakPolarHBondContact O-CA 3.39Å; S65-G69 PolarHBondContact O-N 3.49Å; S65-H71 VanDerWaalsContact CB-CE1 3.43Å; S65-H71 WeakPolarHBondContact CB-CE1 3.5Å; S65-H71 VanDerWaalsContact CB-CG 3.47Å; S65-H71 WeakPolarHBondContact CB-ND1 3.39Å
66	T	97.9	Very high	98.2	Very high	48 Å²	48	63.1 Å²	63.1	29%	0.294	31%	0.312	S	S	.	.	I	π-helix	trans	-86	-38.8	-163.4	-61.9	0	0	0	0	111.6	T62 H226	T62-T66 VanDerWaalsContact O-CB 3.28Å; T62-T66 WeakPolarHBondContact O-CB 3.34Å; T62-T66 PolarHBondContact O-N 3.27Å; T66-H226 HydrophobicContact CG2-CB 4Å
67	Y	97.6	Very high	98.2	Very high	145 Å²	145	66.2 Å²	66.2	57%	0.569	33%	0.325	S	S	*	.	I	π-helix	trans	-97.5	-30.3	-175.7	-51.6	-50.9	0	0	0	113.1	R63 H226	R63-Y67 HydrophobicContact CB-CD2 4.06Å; R63-Y67 HydrophobicContact CG-CD2 3.87Å; R63-Y67 HydrophobicContact CG-CE2 4.14Å; R63-Y67 PolarHBondContact O-N 3.16Å; R63-Y67 VanDerWaalsContact O-N 3.07Å; Y67-H226 AromaticContact CE1-NE2 3.94Å; Y67-H226 AromaticContact CZ-CE1 3.91Å; Y67-H226 AromaticContact CZ-NE2 3.66Å; Y67-H226 PolarHBondContact OH-CE1 3.26Å; Y67-H226 PolarHBondContact OH-NE2 2.83Å
68	Q	97.9	Very high	98.2	Very high	97 Å²	97	62.7 Å²	62.7	45%	0.453	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-15.5	-178.7	-61.4	174.9	-7	0	0	113.7	R63 H70	R63-Q68 PolarHBondContact O-N 3.47Å; Q68-H70 PolarHBondContact O-N 3.28Å; Q68-H70 PolarHBondContact OE1-CD2 2.91Å; Q68-H70 VanDerWaalsContact OE1-CD2 3.31Å; Q68-H70 PolarHBondContact OE1-NE2 3.33Å
69	G	97.2	Very high	98.2	Very high	52 Å²	52	57.8 Å²	57.8	54%	0.536	31%	0.309	S	S	.	.			trans	72	22.2	174	0	0	0	0	0	115	E64 S65 H71	E64-G69 PolarHBondContact O-N 3.23Å; S65-G69 WeakPolarHBondContact O-CA 3.39Å; S65-G69 PolarHBondContact O-N 3.49Å; G69-H71 VanDerWaalsContact C-N 3.25Å; G69-H71 PolarHBondContact O-N 2.89Å
70	H	97.8	Very high	98.2	Very high	62 Å²	62	58.7 Å²	58.7	29%	0.287	31%	0.313	S	S	.	.			trans	-75.3	-9.7	-176.5	-67.3	-44.2	0	0	0	114.4	H9 E64 Q68 T72	H9-H70 HydrophobicContact CB-CB 4.36Å; 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 3.45Å; H9-H70 AromaticContact NE2-CG 3.69Å; E64-H70 WeakPolarHBondContact O-CB 3.26Å; E64-H70 PolarHBondContact O-N 2.96Å; Q68-H70 PolarHBondContact O-N 3.28Å; Q68-H70 PolarHBondContact OE1-CD2 2.91Å; Q68-H70 VanDerWaalsContact OE1-CD2 3.31Å; Q68-H70 PolarHBondContact OE1-NE2 3.33Å; H70-T72 VanDerWaalsContact C-N 3.32Å; H70-T72 PolarHBondContact O-N 3.21Å
71	H	98.2	Very high	98.2	Very high	21 Å²	21	63.6 Å²	63.6	10%	0.097	33%	0.33	C	S	.	.			trans	-85.8	69.1	-179.4	-75.4	-149.9	0	0	0	111.8	S65 G69 Q76 L79	S65-H71 VanDerWaalsContact CB-CE1 3.43Å; S65-H71 WeakPolarHBondContact CB-CE1 3.5Å; S65-H71 VanDerWaalsContact CB-CG 3.47Å; S65-H71 WeakPolarHBondContact CB-ND1 3.39Å; G69-H71 VanDerWaalsContact C-N 3.25Å; G69-H71 PolarHBondContact O-N 2.89Å; H71-Q76 HydrophobicContact CB-CG 4.19Å; H71-Q76 PolarHBondContact O-NE2 3Å; H71-L79 VanDerWaalsContact CE1-CD1 3.49Å; H71-L79 WeakPolarHBondContact CE1-CD1 3.49Å
72	T	97.9	Very high	98.2	Very high	39 Å²	39	63.3 Å²	63.3	24%	0.239	34%	0.336	C	S	.	.			trans	-65.8	165.9	172.3	66.1	0	0	0	0	111.6	A7 H70 V75 Q76	A7-T72 HydrophobicContact CB-CG2 4.43Å; A7-T72 WeakPolarHBondContact O-CG2 3.5Å; A7-T72 PolarHBondContact O-OG1 3.39Å; H70-T72 VanDerWaalsContact C-N 3.32Å; H70-T72 PolarHBondContact O-N 3.21Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 3.31Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.39Å; T72-Q76 PolarHBondContact O-N 3.31Å
73	P	97.9	Very high	98.2	Very high	102 Å²	102	63.2 Å²	63.2	66%	0.662	33%	0.334	S	S	*	.	H	α-helix	trans	-55.4	-40.9	-178.8	-24.5	33.1	0	0	0	115	V75 Q76 K77	P73-V75 VanDerWaalsContact C-N 3.35Å; P73-V75 PolarHBondContact O-N 2.92Å; P73-Q76 PolarHBondContact O-N 3.45Å; P73-K77 WeakPolarHBondContact O-CB 3.37Å; P73-K77 PolarHBondContact O-N 3.26Å
74	P	97.9	Very high	98.2	Very high	56 Å²	56	62.1 Å²	62.1	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-38.8	173.4	-26.3	37.1	0	0	0	113.6	A7 Y8 K77 G78	A7-P74 HydrophobicContact CB-CG 4.05Å; Y8-P74 HydrophobicContact CE1-CB 4.4Å; P74-K77 PolarHBondContact O-N 3.2Å; P74-G78 PolarHBondContact O-N 3.07Å
75	V	98.5	Very high	98.2	Very high	21 Å²	21	66.2 Å²	66.2	13%	0.127	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-46.8	177.1	175.2	0	0	0	0	110.4	H9 T72 P73 K77 G78 L79	H9-V75 HydrophobicContact CB-CG2 4.09Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 3.31Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.39Å; P73-V75 VanDerWaalsContact C-N 3.35Å; P73-V75 PolarHBondContact O-N 2.92Å; V75-K77 VanDerWaalsContact C-N 3.31Å; V75-K77 PolarHBondContact O-N 3.16Å; V75-G78 WeakPolarHBondContact O-CA 3.39Å; V75-G78 PolarHBondContact O-N 2.73Å; V75-G78 VanDerWaalsContact O-N 3.1Å; V75-L79 HydrophobicContact CG1-CD1 4.42Å; V75-L79 WeakPolarHBondContact O-CG 3.21Å; V75-L79 PolarHBondContact O-N 3.26Å
76	Q	98.3	Very high	98.2	Very high	27 Å²	27	69.8 Å²	69.8	13%	0.126	37%	0.372	C	S	.	.	H	α-helix	trans	-60.3	-40.7	176.3	-68.7	-178.7	48.4	0	0	112.2	H71 T72 P73 G78 L79 R80 H231	H71-Q76 HydrophobicContact CB-CG 4.19Å; H71-Q76 PolarHBondContact O-NE2 3Å; T72-Q76 PolarHBondContact O-N 3.31Å; P73-Q76 PolarHBondContact O-N 3.45Å; Q76-G78 VanDerWaalsContact C-N 3.31Å; Q76-G78 PolarHBondContact O-N 3.44Å; Q76-L79 PolarHBondContact O-N 3.2Å; Q76-R80 WeakPolarHBondContact O-CG 3.18Å; Q76-R80 PolarHBondContact O-N 3.39Å; Q76-H231 VanDerWaalsContact CD-NE2 3.32Å; Q76-H231 PolarHBondContact NE2-CD2 3.05Å; Q76-H231 PolarHBondContact NE2-NE2 3.2Å; Q76-H231 PolarHBondContact OE1-CD2 3.48Å
77	K	98.2	Very high	98.3	Very high	117 Å²	117	68.7 Å²	68.7	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-60.3	-42.2	174.1	-170	-178.9	-178.4	-175.5	0	111.5	P73 P74 V75 R80 Y81	P73-K77 WeakPolarHBondContact O-CB 3.37Å; P73-K77 PolarHBondContact O-N 3.26Å; P74-K77 PolarHBondContact O-N 3.2Å; V75-K77 VanDerWaalsContact C-N 3.31Å; V75-K77 PolarHBondContact O-N 3.16Å; K77-R80 PolarHBondContact O-N 3.11Å; K77-Y81 HydrophobicContact CD-CE2 4.14Å; K77-Y81 WeakPolarHBondContact CE-OH 3.42Å; K77-Y81 HydrophobicContact CG-CD2 4.27Å; K77-Y81 HydrophobicContact CG-CE2 3.73Å; K77-Y81 WeakPolarHBondContact O-CD2 3.48Å; K77-Y81 PolarHBondContact O-N 3.32Å; K77-Y81 VanDerWaalsContact O-N 3.15Å
78	G	98.6	Very high	98.3	Very high	39 Å²	39	64.7 Å²	64.7	40%	0.402	36%	0.355	S	S	.	.	H	α-helix	trans	-60	-45.2	173.7	0	0	0	0	0	112.9	P74 V75 Q76 R80 Y81 G82	P74-G78 PolarHBondContact O-N 3.07Å; V75-G78 WeakPolarHBondContact O-CA 3.39Å; V75-G78 PolarHBondContact O-N 2.73Å; V75-G78 VanDerWaalsContact O-N 3.1Å; Q76-G78 VanDerWaalsContact C-N 3.31Å; Q76-G78 PolarHBondContact O-N 3.44Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 2.97Å; G78-Y81 PolarHBondContact O-N 2.94Å; G78-G82 PolarHBondContact O-N 2.81Å
79	L	98.6	Very high	98.4	Very high	62 Å²	62	63 Å²	63	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-39	176.8	-66.6	172.9	0	0	0	112.3	H71 V75 Q76 G82 M83 F233	H71-L79 VanDerWaalsContact CE1-CD1 3.49Å; H71-L79 WeakPolarHBondContact CE1-CD1 3.49Å; V75-L79 HydrophobicContact CG1-CD1 4.42Å; V75-L79 WeakPolarHBondContact O-CG 3.21Å; V75-L79 PolarHBondContact O-N 3.26Å; Q76-L79 PolarHBondContact O-N 3.2Å; L79-G82 PolarHBondContact O-N 3.01Å; L79-M83 PolarHBondContact O-N 2.88Å; L79-F233 VanDerWaalsContact C-CZ 3.43Å; L79-F233 HydrophobicContact CB-CD1 3.88Å; L79-F233 HydrophobicContact CB-CE1 3.46Å; L79-F233 VanDerWaalsContact CB-CE1 3.46Å; L79-F233 HydrophobicContact CB-CE2 4.42Å; L79-F233 HydrophobicContact CB-CZ 3.74Å; L79-F233 HydrophobicContact CD1-CD1 4.04Å; L79-F233 HydrophobicContact CD1-CE1 4.28Å; L79-F233 HydrophobicContact CG-CE1 4.38Å; L79-F233 VanDerWaalsContact O-CZ 3.32Å; L79-F233 WeakPolarHBondContact O-CZ 3.08Å
80	R	98.4	Very high	98.4	Very high	93 Å²	93	62.1 Å²	62.1	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-46.3	173.7	-72.2	177.8	172.8	159.9	1.1	112	Q76 K77 G78 G82 M83 I84 F233 E236 W240	Q76-R80 WeakPolarHBondContact O-CG 3.18Å; Q76-R80 PolarHBondContact O-N 3.39Å; K77-R80 PolarHBondContact O-N 3.11Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 2.97Å; R80-G82 VanDerWaalsContact C-N 3.33Å; R80-G82 PolarHBondContact O-N 3.02Å; R80-M83 PolarHBondContact O-N 3.34Å; R80-I84 WeakPolarHBondContact O-CG1 3.47Å; R80-I84 PolarHBondContact O-N 3.48Å; R80-F233 HydrophobicContact CB-CE2 4.11Å; R80-F233 HydrophobicContact CG-CD2 3.6Å; R80-F233 HydrophobicContact CG-CE2 3.4Å; R80-F233 VanDerWaalsContact CG-CE2 3.4Å; R80-F233 HydrophobicContact CG-CZ 4.46Å; R80-E236 IonicContact CZ-OE1 3.9Å; R80-E236 IonicContact CZ-OE2 3.36Å; R80-E236 IonicContact NE-OE2 2.92Å; R80-E236 PolarHBondContact NE-OE2 2.86Å; R80-E236 IonicContact NH2-OE1 2.85Å; R80-E236 PolarHBondContact NH2-OE1 3.48Å; R80-E236 IonicContact NH2-OE2 2.99Å; R80-E236 PolarHBondContact NH2-OE2 3.25Å; R80-W240 HydrophobicContact CB-CH2 3.99Å; R80-W240 HydrophobicContact CB-CZ3 4.23Å; R80-W240 HydrophobicContact CG-CH2 3.76Å; R80-W240 HydrophobicContact CG-CZ3 4.28Å
81	Y	98.6	Very high	98.5	Very high	132 Å²	132	62.7 Å²	62.7	52%	0.518	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-42.7	173.9	-71	-58.1	0	0	0	112	K77 G78 M83 I84 L85	K77-Y81 HydrophobicContact CD-CE2 4.14Å; K77-Y81 WeakPolarHBondContact CE-OH 3.42Å; K77-Y81 HydrophobicContact CG-CD2 4.27Å; K77-Y81 HydrophobicContact CG-CE2 3.73Å; K77-Y81 WeakPolarHBondContact O-CD2 3.48Å; K77-Y81 PolarHBondContact O-N 3.32Å; K77-Y81 VanDerWaalsContact O-N 3.15Å; G78-Y81 PolarHBondContact O-N 2.94Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.39Å; Y81-I84 PolarHBondContact O-N 3.25Å; Y81-L85 WeakPolarHBondContact O-CG 3.37Å; Y81-L85 PolarHBondContact O-N 2.91Å
82	G	98.7	Very high	98.5	Very high	40 Å²	40	68.8 Å²	68.8	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-57.1	-46	176.6	0	0	0	0	0	112.6	G78 L79 R80 L85 F86	G78-G82 PolarHBondContact O-N 2.81Å; L79-G82 PolarHBondContact O-N 3.01Å; R80-G82 VanDerWaalsContact C-N 3.33Å; R80-G82 PolarHBondContact O-N 3.02Å; G82-L85 PolarHBondContact O-N 3.43Å; G82-F86 WeakPolarHBondContact O-CB 3.29Å; G82-F86 PolarHBondContact O-N 3.49Å
83	M	98.7	Very high	98.5	Very high	23 Å²	23	70.7 Å²	70.7	11%	0.113	38%	0.375	C	S	.	.	H	α-helix	trans	-66.9	-40.4	178.7	-169.1	66.6	-168.7	0	0	112.7	L79 R80 Y81 F86 I87 F233 A237 W240 Y241	L79-M83 PolarHBondContact O-N 2.88Å; R80-M83 PolarHBondContact O-N 3.34Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.39Å; M83-F86 HydrophobicContact CE-CD1 4.01Å; M83-F86 HydrophobicContact CE-CE1 4.33Å; M83-F86 PolarHBondContact O-N 3Å; M83-F86 HydrophobicContact SD-CD1 4.03Å; M83-I87 HydrophobicContact CE-CD1 3.78Å; M83-I87 HydrophobicContact CE-CG1 3.88Å; M83-I87 HydrophobicContact CG-CD1 4.14Å; M83-I87 WeakPolarHBondContact O-CG1 3.42Å; M83-I87 PolarHBondContact O-N 3.02Å; M83-F233 HydrophobicContact CB-CZ 4.04Å; M83-A237 HydrophobicContact CE-CB 4.4Å; M83-A237 WeakPolarHBondContact CE-O 3.39Å; M83-A237 HydrophobicContact CG-CB 3.95Å; M83-A237 HydrophobicContact SD-CB 4.02Å; M83-W240 HydrophobicContact CB-CE3 4.16Å; M83-W240 HydrophobicContact CB-CZ3 4.21Å; M83-W240 HydrophobicContact CG-CE3 3.9Å; M83-W240 HydrophobicContact CG-CZ3 4.45Å; M83-Y241 HydrophobicContact CE-CD2 3.97Å; M83-Y241 HydrophobicContact CE-CG 4.26Å
84	I	98.7	Very high	98.5	Very high	83 Å²	83	66 Å²	66	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176.4	-69.1	166.2	0	0	0	110.5	R80 Y81 I87 T88 W240	R80-I84 WeakPolarHBondContact O-CG1 3.47Å; R80-I84 PolarHBondContact O-N 3.48Å; Y81-I84 PolarHBondContact O-N 3.25Å; I84-I87 PolarHBondContact O-N 2.93Å; I84-T88 WeakPolarHBondContact O-CB 3.46Å; I84-T88 PolarHBondContact O-N 3.13Å; I84-T88 PolarHBondContact O-OG1 3.03Å; I84-W240 HydrophobicContact CD1-CZ3 4.48Å; I84-W240 HydrophobicContact CG1-CE3 4.5Å; I84-W240 HydrophobicContact CG1-CZ3 4.07Å
85	L	98.8	Very high	98.6	Very high	120 Å²	120	65.5 Å²	65.5	63%	0.628	35%	0.345	S	S	*	.	H	α-helix	trans	-65.4	-39.8	178.9	-70	172.5	0	0	0	111.8	Y81 G82 T88 S89	Y81-L85 WeakPolarHBondContact O-CG 3.37Å; Y81-L85 PolarHBondContact O-N 2.91Å; G82-L85 PolarHBondContact O-N 3.43Å; L85-T88 WeakPolarHBondContact O-CB 3.3Å; L85-T88 PolarHBondContact O-N 3.45Å; L85-S89 PolarHBondContact O-N 2.88Å
86	F	98.8	Very high	98.6	Very high	86 Å²	86	66.3 Å²	66.3	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-51.2	173.9	170.5	-107.9	0	0	0	111.9	G82 M83 T88 S89 E90 Y241	G82-F86 WeakPolarHBondContact O-CB 3.29Å; G82-F86 PolarHBondContact O-N 3.49Å; M83-F86 HydrophobicContact CE-CD1 4.01Å; M83-F86 HydrophobicContact CE-CE1 4.33Å; M83-F86 PolarHBondContact O-N 3Å; M83-F86 HydrophobicContact SD-CD1 4.03Å; F86-T88 PolarHBondContact O-N 3.45Å; F86-S89 PolarHBondContact O-N 3.45Å; 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 4.05Å; F86-E90 WeakPolarHBondContact CE2-OE1 3.48Å; F86-E90 HydrophobicContact CZ-CG 3.9Å; F86-E90 WeakPolarHBondContact O-CG 3.28Å; F86-E90 PolarHBondContact O-N 2.89Å; F86-E90 VanDerWaalsContact O-N 3.07Å; F86-Y241 AromaticContact CE1-CD2 3.98Å; F86-Y241 HydrophobicContact CE1-CD2 3.98Å; F86-Y241 AromaticContact CE1-CE2 3.81Å; F86-Y241 HydrophobicContact CE1-CE2 3.81Å; F86-Y241 HydrophobicContact CZ-CE2 4.3Å
87	I	98.7	Very high	98.6	Very high	26 Å²	26	67 Å²	67	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-38.1	176.5	-67.9	171.2	0	0	0	110.6	M83 I84 S89 E90 V91 W240 F244	M83-I87 HydrophobicContact CE-CD1 3.78Å; M83-I87 HydrophobicContact CE-CG1 3.88Å; M83-I87 HydrophobicContact CG-CD1 4.14Å; M83-I87 WeakPolarHBondContact O-CG1 3.42Å; M83-I87 PolarHBondContact O-N 3.02Å; I84-I87 PolarHBondContact O-N 2.93Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 3.37Å; I87-E90 PolarHBondContact O-N 2.94Å; I87-E90 VanDerWaalsContact O-N 3.16Å; I87-V91 HydrophobicContact CG2-CG2 4.47Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 3.28Å; I87-W240 HydrophobicContact CD1-CB 3.75Å; I87-F244 HydrophobicContact CG2-CB 3.97Å; I87-F244 HydrophobicContact CG2-CD2 3.88Å; I87-F244 HydrophobicContact CG2-CG 4.02Å
88	T	98.7	Very high	98.6	Very high	60 Å²	60	62.8 Å²	62.8	37%	0.368	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-42.4	176.9	-57.1	0	0	0	0	111.5	I84 L85 F86 E90 V91 F92	I84-T88 WeakPolarHBondContact O-CB 3.46Å; I84-T88 PolarHBondContact O-N 3.13Å; I84-T88 PolarHBondContact O-OG1 3.03Å; L85-T88 WeakPolarHBondContact O-CB 3.3Å; L85-T88 PolarHBondContact O-N 3.45Å; F86-T88 PolarHBondContact O-N 3.45Å; T88-E90 VanDerWaalsContact C-N 3.33Å; T88-E90 PolarHBondContact O-N 2.88Å; T88-V91 PolarHBondContact O-N 2.99Å; T88-F92 HydrophobicContact CG2-CD2 4.1Å; T88-F92 HydrophobicContact CG2-CE2 3.81Å; T88-F92 VanDerWaalsContact O-CD2 3.23Å; T88-F92 WeakPolarHBondContact O-CD2 3.39Å; T88-F92 PolarHBondContact O-N 3.31Å
89	S	98.6	Very high	98.6	Very high	61 Å²	61	70.3 Å²	70.3	43%	0.427	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-36.7	174.6	54.5	0	0	0	0	112.6	L85 F86 I87 V91 F92 F93	L85-S89 PolarHBondContact O-N 2.88Å; F86-S89 PolarHBondContact O-N 3.45Å; 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 3.37Å; S89-V91 VanDerWaalsContact C-N 3.35Å; S89-F92 PolarHBondContact O-N 3.38Å; S89-F93 PolarHBondContact O-N 3.24Å
90	E	98.7	Very high	98.6	Very high	34 Å²	34	69.5 Å²	69.5	16%	0.159	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-37.1	175.3	-63.5	-53.9	135.7	0	0	112	F86 I87 T88 F92 F93 F94 H207 F244	F86-E90 HydrophobicContact CE1-CG 4.27Å; F86-E90 HydrophobicContact CE2-CG 4.05Å; F86-E90 WeakPolarHBondContact CE2-OE1 3.48Å; F86-E90 HydrophobicContact CZ-CG 3.9Å; F86-E90 WeakPolarHBondContact O-CG 3.28Å; F86-E90 PolarHBondContact O-N 2.89Å; F86-E90 VanDerWaalsContact O-N 3.07Å; I87-E90 PolarHBondContact O-N 2.94Å; I87-E90 VanDerWaalsContact O-N 3.16Å; T88-E90 VanDerWaalsContact C-N 3.33Å; T88-E90 PolarHBondContact O-N 2.88Å; E90-F92 VanDerWaalsContact C-N 3.34Å; E90-F92 PolarHBondContact O-N 2.96Å; E90-F93 WeakPolarHBondContact O-CB 3.37Å; E90-F93 PolarHBondContact O-N 2.83Å; E90-F94 WeakPolarHBondContact O-CD2 3.35Å; E90-F94 PolarHBondContact O-N 2.84Å; E90-H207 IonicContact OE2-CE1 3.75Å; E90-H207 IonicContact OE2-NE2 2.95Å; E90-H207 PolarHBondContact OE2-NE2 2.82Å; E90-F244 HydrophobicContact CB-CE1 4.19Å; E90-F244 HydrophobicContact CB-CE2 3.96Å; E90-F244 HydrophobicContact CB-CZ 3.57Å
91	V	98.6	Very high	98.6	Very high	74 Å²	74	65.1 Å²	65.1	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-44	173.1	171.5	0	0	0	0	111.1	I87 T88 S89 F93 F94 A95 F244	I87-V91 HydrophobicContact CG2-CG2 4.47Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 3.28Å; T88-V91 PolarHBondContact O-N 2.99Å; S89-V91 VanDerWaalsContact C-N 3.35Å; V91-F93 VanDerWaalsContact C-N 3.34Å; V91-F94 PolarHBondContact O-N 3.27Å; V91-A95 WeakPolarHBondContact O-CB 3.45Å; V91-A95 PolarHBondContact O-N 2.8Å; V91-F244 HydrophobicContact CG2-CD2 3.93Å; V91-F244 HydrophobicContact CG2-CE2 3.83Å
92	F	98.5	Very high	98.6	Very high	149 Å²	149	62.8 Å²	62.8	65%	0.654	34%	0.335	S	S	*	.	H	α-helix	trans	-67.9	-33.2	175.7	-77.6	-69.3	0	0	0	112.9	T88 S89 E90 A95 G96	T88-F92 HydrophobicContact CG2-CD2 4.1Å; T88-F92 HydrophobicContact CG2-CE2 3.81Å; T88-F92 VanDerWaalsContact O-CD2 3.23Å; T88-F92 WeakPolarHBondContact O-CD2 3.39Å; T88-F92 PolarHBondContact O-N 3.31Å; S89-F92 PolarHBondContact O-N 3.38Å; E90-F92 VanDerWaalsContact C-N 3.34Å; E90-F92 PolarHBondContact O-N 2.96Å; F92-A95 WeakPolarHBondContact O-CB 3.31Å; F92-A95 PolarHBondContact O-N 3.17Å; F92-G96 PolarHBondContact O-N 3.46Å
93	F	98.4	Very high	98.6	Very high	79 Å²	79	67.1 Å²	67.1	35%	0.346	34%	0.344	S	S	.	.	H	α-helix	trans	-60	-49.3	172.8	175.1	-111.7	0	0	0	111.1	S89 E90 V91 A95 G96 F97 F203	S89-F93 PolarHBondContact O-N 3.24Å; E90-F93 WeakPolarHBondContact O-CB 3.37Å; E90-F93 PolarHBondContact O-N 2.83Å; V91-F93 VanDerWaalsContact C-N 3.34Å; F93-A95 VanDerWaalsContact C-N 3.34Å; F93-A95 PolarHBondContact O-N 3.46Å; F93-G96 PolarHBondContact O-N 3.44Å; F93-F97 HydrophobicContact CD1-CE2 4.11Å; F93-F97 AromaticContact CE1-CE2 3.49Å; F93-F97 HydrophobicContact CE1-CE2 3.49Å; F93-F97 VanDerWaalsContact CE1-CE2 3.49Å; F93-F97 HydrophobicContact CE1-CZ 4.03Å; F93-F97 HydrophobicContact CE2-CE2 4.06Å; F93-F97 AromaticContact CE2-CZ 3.87Å; F93-F97 HydrophobicContact CE2-CZ 3.87Å; F93-F97 AromaticContact CZ-CE2 3.46Å; F93-F97 HydrophobicContact CZ-CE2 3.46Å; F93-F97 VanDerWaalsContact CZ-CE2 3.46Å; F93-F97 AromaticContact CZ-CZ 3.48Å; F93-F97 HydrophobicContact CZ-CZ 3.48Å; F93-F97 VanDerWaalsContact CZ-CZ 3.48Å; F93-F203 HydrophobicContact CE1-CB 4.36Å; F93-F203 AromaticContact CE1-CD1 3.71Å; F93-F203 HydrophobicContact CE1-CD1 3.71Å; F93-F203 HydrophobicContact CE1-CE1 4.1Å; F93-F203 AromaticContact CE1-CG 3.96Å; F93-F203 HydrophobicContact CE1-CG 3.96Å; F93-F203 AromaticContact CZ-CD1 3.75Å; F93-F203 HydrophobicContact CZ-CD1 3.75Å; F93-F203 HydrophobicContact CZ-CD2 4.24Å; F93-F203 AromaticContact CZ-CE1 3.7Å; F93-F203 HydrophobicContact CZ-CE1 3.7Å; F93-F203 HydrophobicContact CZ-CE2 4.19Å; F93-F203 HydrophobicContact CZ-CG 4.04Å; F93-F203 AromaticContact CZ-CZ 3.92Å; F93-F203 HydrophobicContact CZ-CZ 3.92Å
94	F	98.6	Very high	98.6	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-33.4	174.6	-83.9	-81.2	0	0	0	113.4	E90 V91 G96 F97 F98 F203 H204 H207 F244 V248	E90-F94 WeakPolarHBondContact O-CD2 3.35Å; E90-F94 PolarHBondContact O-N 2.84Å; V91-F94 PolarHBondContact O-N 3.27Å; F94-G96 PolarHBondContact O-N 3.42Å; F94-F97 HydrophobicContact CD1-CD2 4.13Å; F94-F97 PolarHBondContact O-N 2.93Å; F94-F98 HydrophobicContact CB-CD2 4.35Å; F94-F98 HydrophobicContact CB-CE2 4.13Å; F94-F98 WeakPolarHBondContact O-CD2 3.28Å; F94-F98 PolarHBondContact O-N 2.92Å; F94-F203 HydrophobicContact CE1-CB 4.26Å; F94-F203 HydrophobicContact CZ-CB 4.21Å; F94-H204 HydrophobicContact CE1-CB 3.98Å; F94-H204 HydrophobicContact CZ-CB 4.15Å; F94-H207 AromaticContact CE2-CE1 3.71Å; F94-H207 AromaticContact CE2-ND1 3.85Å; F94-H207 AromaticContact CE2-NE2 3.9Å; F94-H207 AromaticContact CZ-CE1 3.98Å; F94-H207 AromaticContact CZ-ND1 3.76Å; F94-F244 HydrophobicContact CD2-CE2 4.42Å; F94-F244 AromaticContact CD2-CZ 3.83Å; F94-F244 HydrophobicContact CD2-CZ 3.83Å; F94-F244 HydrophobicContact CE2-CE1 4.47Å; F94-F244 AromaticContact CE2-CZ 3.81Å; F94-F244 HydrophobicContact CE2-CZ 3.81Å; F94-V248 HydrophobicContact CD1-CG1 3.56Å; F94-V248 HydrophobicContact CD2-CG1 4.21Å; F94-V248 HydrophobicContact CD2-CG2 4.26Å; F94-V248 HydrophobicContact CE1-CG1 3.68Å; F94-V248 HydrophobicContact CE2-CG1 4.32Å; F94-V248 HydrophobicContact CG-CG1 3.85Å; F94-V248 HydrophobicContact CG-CG2 4.39Å; F94-V248 HydrophobicContact CZ-CG1 4.07Å
95	A	98.5	Very high	98.6	Very high	45 Å²	45	63.3 Å²	63.3	37%	0.372	33%	0.327	S	S	.	.	H	α-helix	trans	-56.9	-32.9	176	0	0	0	0	0	112.3	V91 F92 F93 F98 W99	V91-A95 WeakPolarHBondContact O-CB 3.45Å; V91-A95 PolarHBondContact O-N 2.8Å; F92-A95 WeakPolarHBondContact O-CB 3.31Å; F92-A95 PolarHBondContact O-N 3.17Å; F93-A95 VanDerWaalsContact C-N 3.34Å; F93-A95 PolarHBondContact O-N 3.46Å; A95-F98 PolarHBondContact O-N 2.97Å; A95-W99 WeakPolarHBondContact O-CB 3.39Å; A95-W99 PolarHBondContact O-N 3.25Å
96	G	98.6	Very high	98.6	Very high	38 Å²	38	63.2 Å²	63.2	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-41.7	172.5	0	0	0	0	0	113.4	F92 F93 F94 W99 A100	F92-G96 PolarHBondContact O-N 3.46Å; F93-G96 PolarHBondContact O-N 3.44Å; F94-G96 PolarHBondContact O-N 3.42Å; G96-W99 PolarHBondContact O-N 3.37Å; G96-A100 PolarHBondContact O-N 3.43Å
97	F	98.4	Very high	98.5	Very high	42 Å²	42	62.3 Å²	62.3	18%	0.184	34%	0.335	C	S	.	.	H	α-helix	trans	-69.9	-41.9	176.8	-60.8	-47	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 3.49Å; F93-F97 HydrophobicContact CE1-CE2 3.49Å; F93-F97 VanDerWaalsContact CE1-CE2 3.49Å; F93-F97 HydrophobicContact CE1-CZ 4.03Å; F93-F97 HydrophobicContact CE2-CE2 4.06Å; F93-F97 AromaticContact CE2-CZ 3.87Å; F93-F97 HydrophobicContact CE2-CZ 3.87Å; F93-F97 AromaticContact CZ-CE2 3.46Å; F93-F97 HydrophobicContact CZ-CE2 3.46Å; F93-F97 VanDerWaalsContact CZ-CE2 3.46Å; F93-F97 AromaticContact CZ-CZ 3.48Å; F93-F97 HydrophobicContact CZ-CZ 3.48Å; F93-F97 VanDerWaalsContact CZ-CZ 3.48Å; F94-F97 HydrophobicContact CD1-CD2 4.13Å; F94-F97 PolarHBondContact O-N 2.93Å; F97-W99 VanDerWaalsContact C-N 3.29Å; F97-W99 PolarHBondContact O-N 2.86Å; F97-A100 PolarHBondContact O-N 3.44Å; F97-F101 PolarHBondContact O-N 3.5Å; F97-V199 HydrophobicContact CD1-CG1 3.94Å; F97-V199 HydrophobicContact CE1-CG1 3.49Å; F97-V199 VanDerWaalsContact CE1-CG1 3.49Å; F97-V199 HydrophobicContact CZ-CG1 3.94Å; F97-A200 HydrophobicContact CB-CB 4.07Å; F97-F203 HydrophobicContact CE1-CD2 4.31Å; F97-F203 HydrophobicContact CE1-CE2 4.46Å; F97-F203 HydrophobicContact CE2-CB 3.98Å; F97-F203 AromaticContact CE2-CD2 3.6Å; F97-F203 HydrophobicContact CE2-CD2 3.6Å; F97-F203 HydrophobicContact CE2-CE2 4.29Å; F97-F203 AromaticContact CE2-CG 3.87Å; F97-F203 HydrophobicContact CE2-CG 3.87Å; F97-F203 AromaticContact CZ-CD2 3.37Å; F97-F203 HydrophobicContact CZ-CD2 3.37Å; F97-F203 AromaticContact CZ-CE2 3.64Å; F97-F203 HydrophobicContact CZ-CE2 3.64Å; F97-F203 HydrophobicContact CZ-CG 4.07Å
98	F	98.6	Very high	98.5	Very high	29 Å²	29	62.6 Å²	62.6	13%	0.127	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-40.7	174	-73.4	-69.4	0	0	0	111.4	F94 A95 F101 Y102 F251 L252	F94-F98 HydrophobicContact CB-CD2 4.35Å; F94-F98 HydrophobicContact CB-CE2 4.13Å; F94-F98 WeakPolarHBondContact O-CD2 3.28Å; F94-F98 PolarHBondContact O-N 2.92Å; A95-F98 PolarHBondContact O-N 2.97Å; F98-F101 PolarHBondContact O-N 3.03Å; F98-Y102 HydrophobicContact CB-CD2 4.34Å; F98-Y102 HydrophobicContact CB-CE2 4.42Å; F98-Y102 HydrophobicContact CD1-CE2 4.42Å; F98-Y102 WeakPolarHBondContact O-CB 3.37Å; F98-Y102 WeakPolarHBondContact O-CD2 3.36Å; F98-Y102 PolarHBondContact O-N 3.1Å; F98-F251 HydrophobicContact CE1-CB 3.83Å; F98-F251 HydrophobicContact CE2-CB 4.14Å; F98-F251 HydrophobicContact CZ-CB 3.43Å; F98-F251 VanDerWaalsContact CZ-CB 3.43Å; F98-L252 HydrophobicContact CE1-CD2 3.87Å; F98-L252 HydrophobicContact CE1-CG 4.34Å; F98-L252 HydrophobicContact CZ-CD2 3.73Å; F98-L252 HydrophobicContact CZ-CG 3.92Å
99	W	98.8	Very high	98.5	Very high	197 Å²	197	62.9 Å²	62.9	75%	0.746	34%	0.34	S	S	*	.	H	α-helix	trans	-59.8	-50	173.5	-178.2	5.7	0	0	0	111.2	A95 G96 F97 F101 Y102 H103	A95-W99 WeakPolarHBondContact O-CB 3.39Å; A95-W99 PolarHBondContact O-N 3.25Å; G96-W99 PolarHBondContact O-N 3.37Å; F97-W99 VanDerWaalsContact C-N 3.29Å; F97-W99 PolarHBondContact O-N 2.86Å; W99-F101 VanDerWaalsContact C-N 3.27Å; W99-F101 PolarHBondContact O-N 3.27Å; W99-Y102 PolarHBondContact O-N 3.29Å; W99-H103 VanDerWaalsContact O-CB 3.28Å; W99-H103 WeakPolarHBondContact O-CB 3.17Å; W99-H103 PolarHBondContact O-N 2.92Å
100	A	98.6	Very high	98.4	Very high	45 Å²	45	65.4 Å²	65.4	37%	0.372	36%	0.355	S	S	.	.	H	α-helix	trans	-56.2	-42.4	178	0	0	0	0	0	112.5	G96 F97 S104	G96-A100 PolarHBondContact O-N 3.43Å; F97-A100 PolarHBondContact O-N 3.44Å; A100-S104 WeakPolarHBondContact O-CB 3.38Å; A100-S104 PolarHBondContact O-N 3.36Å; A100-S104 PolarHBondContact O-OG 2.88Å
101	F	98.8	Very high	98.3	Very high	1 Å²	1	71.3 Å²	71.3	0%	0.004	38%	0.383	C	S	.	.	H	α-helix	trans	-63.2	-54.3	175.2	168.1	-100.2	0	0	0	112.4	F97 F98 W99 H103 S104 S105 W116 T196 S255 I256 W259	F97-F101 PolarHBondContact O-N 3.5Å; F98-F101 PolarHBondContact O-N 3.03Å; W99-F101 VanDerWaalsContact C-N 3.27Å; W99-F101 PolarHBondContact O-N 3.27Å; F101-H103 VanDerWaalsContact C-N 3.33Å; F101-H103 PolarHBondContact O-N 3.26Å; F101-S104 PolarHBondContact O-N 2.99Å; F101-S104 VanDerWaalsContact O-N 3.16Å; F101-S105 WeakPolarHBondContact O-CB 3.4Å; F101-S105 PolarHBondContact O-N 2.98Å; F101-S105 PolarHBondContact O-OG 3.01Å; F101-W116 HydrophobicContact CD2-CZ2 4.33Å; F101-W116 AromaticContact CE2-CZ2 3.99Å; F101-W116 HydrophobicContact CE2-CZ2 3.99Å; F101-T196 HydrophobicContact CB-CG2 4.48Å; F101-S255 WeakPolarHBondContact CE1-O 3.25Å; F101-S255 VanDerWaalsContact CZ-O 3.24Å; F101-S255 WeakPolarHBondContact CZ-O 3.37Å; F101-I256 HydrophobicContact CD1-CG1 4.23Å; F101-I256 HydrophobicContact CD2-CD1 4.42Å; F101-I256 HydrophobicContact CD2-CG1 3.94Å; F101-I256 HydrophobicContact CE1-CG1 4.3Å; F101-I256 HydrophobicContact CE2-CB 4.41Å; F101-I256 HydrophobicContact CE2-CG1 4Å; F101-I256 HydrophobicContact CE2-CG2 4.44Å; F101-I256 HydrophobicContact CG-CD1 4.48Å; F101-I256 HydrophobicContact CG-CG1 4.06Å; F101-I256 HydrophobicContact CZ-CG1 4.19Å; F101-W259 AromaticContact CE1-CE3 3.81Å; F101-W259 HydrophobicContact CE1-CE3 3.81Å; F101-W259 AromaticContact CE1-CZ3 3.66Å; F101-W259 HydrophobicContact CE1-CZ3 3.66Å; F101-W259 AromaticContact CZ-CE3 3.81Å; F101-W259 HydrophobicContact CZ-CE3 3.81Å; F101-W259 AromaticContact CZ-CZ3 3.7Å; F101-W259 HydrophobicContact CZ-CZ3 3.7Å
102	Y	98.8	Very high	98.2	Very high	82 Å²	82	69.1 Å²	69.1	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-36.4	-178	-80.5	-64.2	0	0	0	112.6	F98 W99 S104 S105 L106 S255 W259	F98-Y102 HydrophobicContact CB-CD2 4.34Å; F98-Y102 HydrophobicContact CB-CE2 4.42Å; F98-Y102 HydrophobicContact CD1-CE2 4.42Å; F98-Y102 WeakPolarHBondContact O-CB 3.37Å; F98-Y102 WeakPolarHBondContact O-CD2 3.36Å; F98-Y102 PolarHBondContact O-N 3.1Å; W99-Y102 PolarHBondContact O-N 3.29Å; Y102-S104 VanDerWaalsContact C-N 3.29Å; Y102-S104 PolarHBondContact O-N 2.99Å; Y102-S105 WeakPolarHBondContact CA-OG 3.36Å; Y102-S105 PolarHBondContact O-OG 3.46Å; Y102-L106 HydrophobicContact CD1-CD1 4.17Å; Y102-L106 HydrophobicContact CD1-CG 4.41Å; Y102-L106 WeakPolarHBondContact O-CB 3.47Å; Y102-L106 VanDerWaalsContact O-CG 3.26Å; Y102-L106 WeakPolarHBondContact O-CG 3.3Å; Y102-L106 PolarHBondContact O-N 3.27Å; Y102-S255 VanDerWaalsContact OH-CB 3.29Å; Y102-S255 WeakPolarHBondContact OH-CB 3.43Å; Y102-S255 PolarHBondContact OH-OG 3.39Å; Y102-W259 HydrophobicContact CD1-CH2 4.25Å; Y102-W259 AromaticContact CD1-CZ3 4Å; Y102-W259 HydrophobicContact CD1-CZ3 4Å; Y102-W259 HydrophobicContact CE1-CE3 4.07Å; Y102-W259 HydrophobicContact CE1-CH2 4.39Å; Y102-W259 AromaticContact CE1-CZ3 3.94Å; Y102-W259 HydrophobicContact CE1-CZ3 3.94Å
103	H	98.6	Very high	98.2	Very high	131 Å²	131	64 Å²	64	61%	0.606	36%	0.358	S	S	*	.	H	α-helix	trans	-59.4	-43.2	174.5	179.6	72.3	0	0	0	111.5	W99 F101	W99-H103 VanDerWaalsContact O-CB 3.28Å; W99-H103 WeakPolarHBondContact O-CB 3.17Å; W99-H103 PolarHBondContact O-N 2.92Å; F101-H103 VanDerWaalsContact C-N 3.33Å; F101-H103 PolarHBondContact O-N 3.26Å
104	S	98.1	Very high	98	Very high	19 Å²	19	62.6 Å²	62.6	13%	0.133	37%	0.366	C	S	.	.	H	α-helix	trans	-77.5	-36.1	-175.5	-54	0	0	0	0	113	A100 F101 Y102 I192	A100-S104 WeakPolarHBondContact O-CB 3.38Å; A100-S104 PolarHBondContact O-N 3.36Å; A100-S104 PolarHBondContact O-OG 2.88Å; F101-S104 PolarHBondContact O-N 2.99Å; F101-S104 VanDerWaalsContact O-N 3.16Å; Y102-S104 VanDerWaalsContact C-N 3.29Å; Y102-S104 PolarHBondContact O-N 2.99Å; S104-I192 WeakPolarHBondContact OG-CG1 3.5Å
105	S	98.3	Very high	98	Very high	7 Å²	7	66.9 Å²	66.9	5%	0.049	39%	0.386	C	S	.	.	H	α-helix	trans	-85.1	-34.3	-175.9	53.7	0	0	0	0	113.9	F101 Y102 P108 W116 W259	F101-S105 WeakPolarHBondContact O-CB 3.4Å; F101-S105 PolarHBondContact O-N 2.98Å; F101-S105 PolarHBondContact O-OG 3.01Å; Y102-S105 WeakPolarHBondContact CA-OG 3.36Å; Y102-S105 PolarHBondContact O-OG 3.46Å; S105-P108 WeakPolarHBondContact O-CD 3.39Å; S105-P108 WeakPolarHBondContact O-CG 3.44Å; S105-W116 VanDerWaalsContact CB-CE2 3.5Å; S105-W259 VanDerWaalsContact OG-CZ3 3.26Å; S105-W259 WeakPolarHBondContact OG-CZ3 3.29Å
106	L	98.4	Very high	98	Very high	118 Å²	118	66.8 Å²	66.8	62%	0.618	38%	0.376	S	S	*	.	H	α-helix	trans	-76.2	-23.8	178.9	-68.2	170.9	0	0	0	113.3	Y102 W259	Y102-L106 HydrophobicContact CD1-CD1 4.17Å; Y102-L106 HydrophobicContact CD1-CG 4.41Å; Y102-L106 WeakPolarHBondContact O-CB 3.47Å; Y102-L106 VanDerWaalsContact O-CG 3.26Å; Y102-L106 WeakPolarHBondContact O-CG 3.3Å; Y102-L106 PolarHBondContact O-N 3.27Å; L106-W259 HydrophobicContact CD2-CH2 3.51Å; L106-W259 HydrophobicContact CD2-CZ2 3.49Å; L106-W259 VanDerWaalsContact CD2-CZ2 3.49Å; L106-W259 HydrophobicContact CG-CH2 3.92Å; L106-W259 HydrophobicContact CG-CZ2 4.39Å
107	A	97.9	Very high	97.9	Very high	67 Å²	67	66.1 Å²	66.1	55%	0.554	36%	0.364	S	S	*	.	S	Bend	trans	-133.5	69.1	178	0	0	0	0	0	111.9	T109	A107-T109 PolarHBondContact O-N 3.49Å
108	P	97.9	Very high	97.9	Very high	33 Å²	33	64.7 Å²	64.7	21%	0.214	36%	0.359	C	S	.	.			trans	-62.5	132.5	-176.6	-22.4	35.6	0	0	0	112	S105 L112 H115 W116	S105-P108 WeakPolarHBondContact O-CD 3.39Å; S105-P108 WeakPolarHBondContact O-CG 3.44Å; P108-L112 HydrophobicContact CB-CD1 4.38Å; P108-H115 WeakPolarHBondContact CB-O 3.42Å; P108-W116 HydrophobicContact CG-CB 3.86Å
109	T	98.2	Very high	97.8	Very high	66 Å²	66	67.6 Å²	67.6	41%	0.405	38%	0.379	S	S	.	.			trans	-72.5	157.6	-179.4	67	0	0	0	0	111.8	A107 Q111 L112 G114	A107-T109 PolarHBondContact O-N 3.49Å; T109-Q111 PolarHBondContact O-N 3.41Å; T109-Q111 VanDerWaalsContact O-N 3.16Å; T109-Q111 PolarHBondContact OG1-OE1 3.45Å; T109-L112 WeakPolarHBondContact O-CB 3.38Å; T109-L112 PolarHBondContact O-N 3.02Å; T109-L112 WeakPolarHBondContact OG1-CG 3.47Å; T109-G114 PolarHBondContact O-N 3.23Å
110	P	97.8	Very high	97.7	Very high	113 Å²	113	62.1 Å²	62.1	73%	0.734	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-56.6	-30	175.7	-26.8	35.9	0	0	0	113.8	L112 G113	P110-L112 PolarHBondContact O-N 3.03Å; P110-G113 PolarHBondContact O-N 3.01Å
111	Q	97.1	Very high	97.6	Very high	159 Å²	159	61.4 Å²	61.4	74%	0.743	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22.6	177	-66.2	77.7	5.4	0	0	112.8	T109	T109-Q111 PolarHBondContact O-N 3.41Å; T109-Q111 VanDerWaalsContact O-N 3.16Å; T109-Q111 PolarHBondContact OG1-OE1 3.45Å
112	L	96.5	Very high	97.6	Very high	27 Å²	27	65.3 Å²	65.3	14%	0.141	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-88.7	-3.4	175.2	-56.6	176.1	0	0	0	112.7	P108 T109 P110 W116 P118 T119 I192	P108-L112 HydrophobicContact CB-CD1 4.38Å; T109-L112 WeakPolarHBondContact O-CB 3.38Å; T109-L112 PolarHBondContact O-N 3.02Å; T109-L112 WeakPolarHBondContact OG1-CG 3.47Å; P110-L112 PolarHBondContact O-N 3.03Å; L112-W116 HydrophobicContact CD1-CE3 4.49Å; L112-W116 HydrophobicContact CD1-CZ3 4.26Å; L112-P118 HydrophobicContact CB-CB 3.96Å; L112-P118 HydrophobicContact CB-CG 4.21Å; L112-P118 HydrophobicContact CD1-CG 4.26Å; L112-P118 HydrophobicContact CD2-CB 3.99Å; L112-P118 HydrophobicContact CD2-CG 3.93Å; L112-P118 HydrophobicContact CG-CB 4.45Å; L112-P118 HydrophobicContact CG-CG 4.34Å; L112-T119 PolarHBondContact O-N 3.43Å; L112-T119 VanDerWaalsContact O-N 3.1Å; L112-I192 HydrophobicContact CD1-CG2 3.71Å; L112-I192 HydrophobicContact CD2-CG2 3.99Å
113	G	96.7	Very high	97.5	Very high	42 Å²	42	63.6 Å²	63.6	43%	0.433	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	9.1	-171.4	0	0	0	0	0	114.4	P110 H115	P110-G113 PolarHBondContact O-N 3.01Å; G113-H115 VanDerWaalsContact C-N 3.29Å; G113-H115 PolarHBondContact O-N 2.98Å; G113-H115 PolarHBondContact O-ND1 3.26Å
114	G	96.1	Very high	97.5	Very high	50 Å²	50	59 Å²	59	52%	0.515	38%	0.377	S	S	.	.	S	Bend	trans	71.2	16.7	175.8	0	0	0	0	0	115.4	T109	T109-G114 PolarHBondContact O-N 3.23Å
115	H	97	Very high	97.4	Very high	94 Å²	94	61.3 Å²	61.3	44%	0.435	39%	0.388	S	S	.	.	S	Bend	trans	-143.4	169.9	175.1	59.5	-79.3	0	0	0	111.2	P108 G113 P117 T119	P108-H115 WeakPolarHBondContact CB-O 3.42Å; G113-H115 VanDerWaalsContact C-N 3.29Å; G113-H115 PolarHBondContact O-N 2.98Å; G113-H115 PolarHBondContact O-ND1 3.26Å; H115-P117 PolarHBondContact CD2-O 3.2Å; H115-T119 WeakPolarHBondContact CE1-CG2 3.49Å
116	W	98.1	Very high	97.4	Very high	43 Å²	43	62 Å²	62	16%	0.163	39%	0.392	C	S	.	.	S	Bend	trans	-128.7	134	177.6	-167	-90.3	0	0	0	109.8	F101 S105 P108 L112 P118 I192 Y193 G260	F101-W116 HydrophobicContact CD2-CZ2 4.33Å; F101-W116 AromaticContact CE2-CZ2 3.99Å; F101-W116 HydrophobicContact CE2-CZ2 3.99Å; S105-W116 VanDerWaalsContact CB-CE2 3.5Å; P108-W116 HydrophobicContact CG-CB 3.86Å; L112-W116 HydrophobicContact CD1-CE3 4.49Å; L112-W116 HydrophobicContact CD1-CZ3 4.26Å; W116-P118 HydrophobicContact CE3-CG 4.13Å; W116-P118 HydrophobicContact CZ3-CG 4.08Å; W116-I192 HydrophobicContact CH2-CG2 4.07Å; W116-I192 HydrophobicContact CZ3-CG2 3.76Å; W116-Y193 AromaticContact CE2-CD2 3.8Å; W116-Y193 HydrophobicContact CH2-CD2 4.07Å; W116-Y193 AromaticContact CZ2-CD2 3.44Å; W116-Y193 HydrophobicContact CZ2-CD2 3.44Å; W116-Y193 VanDerWaalsContact CZ2-CD2 3.44Å; W116-Y193 HydrophobicContact CZ2-CE2 4.18Å; W116-Y193 HydrophobicContact CZ2-CG 4.26Å; W116-G260 VanDerWaalsContact CD1-O 3.24Å; W116-G260 PolarHBondContact NE1-O 2.87Å
117	P	98.1	Very high	97.4	Very high	23 Å²	23	62.1 Å²	62.1	15%	0.149	39%	0.393	C	S	.	.	S	Bend	cis	-61.6	159	-5.5	-22.7	34.4	0	0	0	113.8	H115 I121 P123 Y193 S261	H115-P117 PolarHBondContact CD2-O 3.2Å; P117-I121 HydrophobicContact CB-CB 4.41Å; P117-I121 HydrophobicContact CB-CG2 4.28Å; P117-P123 HydrophobicContact CG-CG 4.2Å; P117-Y193 HydrophobicContact CB-CD2 4.17Å; P117-Y193 HydrophobicContact CB-CE2 4.08Å; P117-Y193 HydrophobicContact CG-CE2 4.3Å; P117-S261 WeakPolarHBondContact CD-OXT 3.45Å; P117-S261 WeakPolarHBondContact CG-OXT 3.12Å
118	P	98.1	Very high	97.3	Very high	12 Å²	12	64.8 Å²	64.8	8%	0.078	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-60.7	152.8	178	-25	36	0	0	0	113.5	L112 W116 G120 I121	L112-P118 HydrophobicContact CB-CB 3.96Å; L112-P118 HydrophobicContact CB-CG 4.21Å; L112-P118 HydrophobicContact CD1-CG 4.26Å; L112-P118 HydrophobicContact CD2-CB 3.99Å; L112-P118 HydrophobicContact CD2-CG 3.93Å; L112-P118 HydrophobicContact CG-CB 4.45Å; L112-P118 HydrophobicContact CG-CG 4.34Å; W116-P118 HydrophobicContact CE3-CG 4.13Å; W116-P118 HydrophobicContact CZ3-CG 4.08Å; P118-G120 PolarHBondContact O-N 3.45Å; P118-I121 HydrophobicContact CB-CG1 4.17Å; P118-I121 HydrophobicContact CG-CG1 4.43Å; P118-I121 WeakPolarHBondContact O-CB 3.39Å; P118-I121 PolarHBondContact O-N 3Å; P118-I121 VanDerWaalsContact O-N 3.12Å
119	T	96.3	Very high	97.3	Very high	90 Å²	90	65.4 Å²	65.4	55%	0.552	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	127.1	175.7	52.2	0	0	0	0	112	L112 H115	L112-T119 PolarHBondContact O-N 3.43Å; L112-T119 VanDerWaalsContact O-N 3.1Å; H115-T119 WeakPolarHBondContact CE1-CG2 3.49Å
120	G	95.9	Very high	97.3	Very high	83 Å²	83	62.4 Å²	62.4	86%	0.856	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-7.1	178.2	0	0	0	0	0	114.8	P118	P118-G120 PolarHBondContact O-N 3.45Å
121	I	98	Very high	97.3	Very high	29 Å²	29	60.7 Å²	60.7	15%	0.149	36%	0.363	C	S	.	.			trans	-85.1	126.8	170	-62.9	-62.2	0	0	0	109.3	P117 P118 P123 F186 D190 Y193	P117-I121 HydrophobicContact CB-CB 4.41Å; P117-I121 HydrophobicContact CB-CG2 4.28Å; P118-I121 HydrophobicContact CB-CG1 4.17Å; P118-I121 HydrophobicContact CG-CG1 4.43Å; P118-I121 WeakPolarHBondContact O-CB 3.39Å; P118-I121 PolarHBondContact O-N 3Å; P118-I121 VanDerWaalsContact O-N 3.12Å; I121-P123 WeakPolarHBondContact O-CD 3.44Å; I121-F186 HydrophobicContact CD1-CB 4.11Å; I121-F186 HydrophobicContact CG2-CD1 4.49Å; 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 4.22Å; I121-Y193 HydrophobicContact CG2-CE1 3.59Å; I121-Y193 HydrophobicContact CG2-CE2 4.27Å; I121-Y193 HydrophobicContact CG2-CG 3.89Å
122	T	97.7	Very high	97.3	Very high	84 Å²	84	56.3 Å²	56.3	52%	0.515	34%	0.344	S	S	.	.			trans	-104.5	101.8	167.5	51.2	0	0	0	0	108.8	P185	T122-P185 VanDerWaalsContact O-CG 3.25Å; T122-P185 WeakPolarHBondContact O-CG 3.43Å; T122-P185 WeakPolarHBondContact OG1-CB 3.43Å; T122-P185 WeakPolarHBondContact OG1-CG 3.47Å
123	P	97.1	Very high	97.4	Very high	46 Å²	46	55 Å²	55	30%	0.299	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-68.2	159.4	-178.5	30.4	-37.2	0	0	0	111.6	P117 I121 Y193 S261	P117-P123 HydrophobicContact CG-CG 4.2Å; I121-P123 WeakPolarHBondContact O-CD 3.44Å; P123-Y193 WeakPolarHBondContact CB-OH 3.44Å; P123-S261 WeakPolarHBondContact CG-OXT 3.47Å
124	L	97.4	Very high	97.5	Very high	34 Å²	34	53.5 Å²	53.5	18%	0.178	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-71.6	149.1	174	-61.7	172.3	0	0	0	110.4	P126 E180 F186 F197 Y257	L124-P126 WeakPolarHBondContact O-CD 3.42Å; L124-E180 VanDerWaalsContact CD1-CD 3.43Å; L124-E180 HydrophobicContact CD1-CG 3.39Å; L124-F186 HydrophobicContact CG-CE1 4.16Å; L124-F186 HydrophobicContact CG-CZ 4.38Å; L124-F197 HydrophobicContact CD1-CE2 4.46Å; L124-F197 HydrophobicContact CD1-CZ 3.9Å; L124-Y257 HydrophobicContact CD1-CE1 4.06Å
125	N	97.9	Very high	97.6	Very high	67 Å²	67	54 Å²	54	36%	0.358	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-76.7	118.5	176.9	-177.7	-8.4	0	0	0	110.7	L127 E128 P130	N125-L127 PolarHBondContact O-N 3.48Å; N125-L127 VanDerWaalsContact O-N 3.08Å; N125-L127 PolarHBondContact OD1-N 3.36Å; N125-E128 HydrophobicContact CB-CB 4.45Å; N125-E128 HydrophobicContact CB-CG 3.96Å; N125-E128 WeakPolarHBondContact CB-OE1 3.4Å; N125-E128 PolarHBondContact ND2-OE1 2.87Å; N125-E128 PolarHBondContact O-N 3.11Å; N125-P130 WeakPolarHBondContact O-CD 3.24Å
126	P	97.1	Very high	97.7	Very high	22 Å²	22	49.9 Å²	49.9	14%	0.143	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.8	-178.7	17.8	-27.9	0	0	0	114.7	L124 L131 Y253 Y257 W258	L124-P126 WeakPolarHBondContact O-CD 3.42Å; P126-L131 WeakPolarHBondContact O-CB 3.34Å; P126-L131 PolarHBondContact O-N 3.5Å; P126-Y253 HydrophobicContact CB-CE2 4.3Å; P126-Y253 WeakPolarHBondContact O-CE2 3.41Å; P126-Y253 PolarHBondContact O-OH 3.1Å; P126-Y257 VanDerWaalsContact CB-O 3.23Å; P126-Y257 WeakPolarHBondContact CB-O 3.47Å; P126-Y257 WeakPolarHBondContact CG-O 3.46Å; P126-W258 HydrophobicContact CB-CB 4.3Å
127	L	97.9	Very high	97.7	Very high	121 Å²	121	47.9 Å²	47.9	63%	0.634	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-4	-176.7	-58.5	-179.6	0	0	0	113.5	N125 L131	N125-L127 PolarHBondContact O-N 3.48Å; N125-L127 VanDerWaalsContact O-N 3.08Å; N125-L127 PolarHBondContact OD1-N 3.36Å; L127-L131 HydrophobicContact CD2-CD2 4.42Å
128	E	97.4	Very high	97.7	Very high	122 Å²	122	50.9 Å²	50.9	57%	0.57	30%	0.303	S	S	*	.	S	Bend	trans	-95.9	-123.1	179.7	-66.8	173.4	-161.6	0	0	111	N125 P130 L131 L132	N125-E128 HydrophobicContact CB-CB 4.45Å; N125-E128 HydrophobicContact CB-CG 3.96Å; N125-E128 WeakPolarHBondContact CB-OE1 3.4Å; N125-E128 PolarHBondContact ND2-OE1 2.87Å; N125-E128 PolarHBondContact O-N 3.11Å; E128-P130 VanDerWaalsContact C-CD 3.45Å; E128-P130 VanDerWaalsContact C-N 3.35Å; E128-L131 PolarHBondContact O-N 3.47Å; E128-L132 PolarHBondContact O-N 2.84Å
129	V	97.1	Very high	97.7	Very high	47 Å²	47	52.5 Å²	52.5	29%	0.285	32%	0.318	S	S	.	.	H	α-helix	trans	-56.5	-38.9	-179.7	-178.8	0	0	0	0	112.9	L131 L132 N133 L176	V129-L131 VanDerWaalsContact C-N 3.33Å; V129-L131 PolarHBondContact O-N 2.8Å; V129-L132 WeakPolarHBondContact O-CB 3.36Å; V129-L132 PolarHBondContact O-N 3.34Å; V129-L132 VanDerWaalsContact O-N 3.14Å; V129-N133 WeakPolarHBondContact O-CB 3.28Å; V129-N133 PolarHBondContact O-N 3.24Å; V129-L176 HydrophobicContact CG1-CB 4.18Å; V129-L176 HydrophobicContact CG1-CD2 4.43Å
130	P	97.7	Very high	97.8	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.019	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-39.6	176.6	-27.3	35.9	0	0	0	113.9	N125 E128 T134 E180 Y253 Y257	N125-P130 WeakPolarHBondContact O-CD 3.24Å; E128-P130 VanDerWaalsContact C-CD 3.45Å; E128-P130 VanDerWaalsContact C-N 3.35Å; P130-T134 PolarHBondContact O-N 3.42Å; P130-T134 PolarHBondContact O-OG1 2.95Å; P130-E180 WeakPolarHBondContact CG-OE2 3.34Å; P130-Y253 HydrophobicContact CB-CD2 4.01Å; P130-Y253 HydrophobicContact CB-CE2 3.82Å; P130-Y257 HydrophobicContact CB-CD1 3.7Å; P130-Y257 HydrophobicContact CB-CE1 4.1Å; P130-Y257 HydrophobicContact CB-CG 4.17Å; P130-Y257 HydrophobicContact CG-CD1 3.46Å; P130-Y257 VanDerWaalsContact CG-CD1 3.46Å; P130-Y257 HydrophobicContact CG-CE1 3.69Å; P130-Y257 HydrophobicContact CG-CG 4.4Å
131	L	98.1	Very high	97.9	Very high	77 Å²	77	44.7 Å²	44.7	40%	0.403	26%	0.255	S	S	.	.	H	α-helix	trans	-69	-40.2	176	-178	62.3	0	0	0	111.2	P126 L127 E128 V129 T134 S135	P126-L131 WeakPolarHBondContact O-CB 3.34Å; P126-L131 PolarHBondContact O-N 3.5Å; L127-L131 HydrophobicContact CD2-CD2 4.42Å; E128-L131 PolarHBondContact O-N 3.47Å; V129-L131 VanDerWaalsContact C-N 3.33Å; V129-L131 PolarHBondContact O-N 2.8Å; L131-T134 WeakPolarHBondContact O-CB 3.34Å; L131-T134 PolarHBondContact O-N 2.76Å; L131-S135 PolarHBondContact O-N 2.73Å
132	L	98.2	Very high	97.9	Very high	66 Å²	66	48.3 Å²	48.3	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-49.8	174.4	177.6	60.8	0	0	0	110.9	E128 V129 T134 S135 V136 L176	E128-L132 PolarHBondContact O-N 2.84Å; V129-L132 WeakPolarHBondContact O-CB 3.36Å; V129-L132 PolarHBondContact O-N 3.34Å; V129-L132 VanDerWaalsContact O-N 3.14Å; L132-T134 PolarHBondContact O-N 2.77Å; L132-S135 PolarHBondContact O-N 2.93Å; L132-S135 PolarHBondContact O-OG 2.97Å; L132-V136 HydrophobicContact CD1-CG2 4.3Å; L132-V136 HydrophobicContact CG-CG2 4.45Å; L132-V136 WeakPolarHBondContact O-CG2 3.49Å; L132-V136 PolarHBondContact O-N 3.48Å; L132-L176 HydrophobicContact CD2-CD1 3.71Å; L132-L176 HydrophobicContact CD2-CD2 4.14Å; L132-L176 HydrophobicContact CG-CD1 3.88Å
133	N	97.9	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.6	-40.7	175.8	-90.8	-11.2	0	0	0	112.3	V129 V136 L137 F173 L176 Q177 W249	V129-N133 WeakPolarHBondContact O-CB 3.28Å; V129-N133 PolarHBondContact O-N 3.24Å; N133-V136 PolarHBondContact O-N 3.25Å; N133-L137 PolarHBondContact O-N 3.48Å; N133-F173 HydrophobicContact CB-CD2 3.7Å; N133-F173 HydrophobicContact CB-CE2 3.65Å; N133-L176 WeakPolarHBondContact OD1-CB 3.37Å; N133-L176 WeakPolarHBondContact OD1-CD1 3.36Å; N133-Q177 PolarHBondContact ND2-OE1 2.91Å; N133-Q177 VanDerWaalsContact ND2-OE1 3.07Å; N133-W249 HydrophobicContact CB-CH2 4.12Å; N133-W249 HydrophobicContact CB-CZ2 3.51Å
134	T	98.3	Very high	98.1	Very high	11 Å²	11	42.6 Å²	42.6	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-46.8	173.9	-56	0	0	0	0	111.9	P130 L131 L132 V136 L137 L138 W249 L250 Y253	P130-T134 PolarHBondContact O-N 3.42Å; P130-T134 PolarHBondContact O-OG1 2.95Å; L131-T134 WeakPolarHBondContact O-CB 3.34Å; L131-T134 PolarHBondContact O-N 2.76Å; L132-T134 PolarHBondContact O-N 2.77Å; T134-V136 VanDerWaalsContact C-N 3.32Å; T134-V136 PolarHBondContact O-N 2.95Å; T134-L137 PolarHBondContact O-N 3.16Å; T134-L138 HydrophobicContact CG2-CD1 4.08Å; T134-L138 WeakPolarHBondContact O-CB 3.38Å; T134-L138 VanDerWaalsContact O-CG 3.32Å; T134-L138 WeakPolarHBondContact O-CG 3.31Å; T134-L138 PolarHBondContact O-N 2.98Å; T134-W249 VanDerWaalsContact CA-NE1 3.32Å; T134-W249 PolarHBondContact OG1-NE1 3.42Å; T134-L250 HydrophobicContact CG2-CD2 3.83Å; T134-Y253 WeakPolarHBondContact OG1-CD2 3.48Å
135	S	98.4	Very high	98.1	Very high	61 Å²	61	43.6 Å²	43.6	43%	0.427	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-36.8	178	76.3	0	0	0	0	112.8	L131 L132 A139	L131-S135 PolarHBondContact O-N 2.73Å; L132-S135 PolarHBondContact O-N 2.93Å; L132-S135 PolarHBondContact O-OG 2.97Å; S135-A139 VanDerWaalsContact O-CB 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.33Å; S135-A139 PolarHBondContact O-N 3.31Å
136	V	98.5	Very high	98.2	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-48.4	178.9	169	0	0	0	0	110.9	L132 N133 T134 A139 S140 L169 Y172 F173	L132-V136 HydrophobicContact CD1-CG2 4.3Å; L132-V136 HydrophobicContact CG-CG2 4.45Å; L132-V136 WeakPolarHBondContact O-CG2 3.49Å; L132-V136 PolarHBondContact O-N 3.48Å; N133-V136 PolarHBondContact O-N 3.25Å; T134-V136 VanDerWaalsContact C-N 3.32Å; T134-V136 PolarHBondContact O-N 2.95Å; V136-A139 PolarHBondContact O-N 3.44Å; V136-S140 WeakPolarHBondContact O-CB 3.4Å; V136-S140 PolarHBondContact O-N 3.02Å; V136-L169 HydrophobicContact CG1-CB 4.01Å; V136-L169 HydrophobicContact CG1-CD2 4.09Å; V136-L169 WeakPolarHBondContact CG1-O 3.35Å; V136-Y172 HydrophobicContact CG1-CD1 4.1Å; V136-Y172 HydrophobicContact CG2-CD1 3.6Å; V136-Y172 HydrophobicContact CG2-CE1 3.72Å; V136-F173 HydrophobicContact CG1-CB 4.05Å
137	L	97.8	Very high	98.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-44.7	178.5	-72.8	-175.1	0	0	0	111.8	N133 T134 A139 S140 G141 F173 W242 W249	N133-L137 PolarHBondContact O-N 3.48Å; T134-L137 PolarHBondContact O-N 3.16Å; L137-A139 VanDerWaalsContact C-N 3.33Å; L137-A139 PolarHBondContact O-N 3.44Å; L137-S140 WeakPolarHBondContact O-CA 3.49Å; L137-S140 WeakPolarHBondContact O-CB 3.36Å; L137-S140 PolarHBondContact O-N 3.39Å; L137-S140 PolarHBondContact O-OG 2.94Å; L137-G141 PolarHBondContact O-N 3.41Å; L137-F173 HydrophobicContact CD1-CD2 3.71Å; L137-F173 HydrophobicContact CD1-CE2 3.47Å; L137-F173 VanDerWaalsContact CD1-CE2 3.47Å; L137-F173 HydrophobicContact CD1-CG 4.41Å; L137-F173 HydrophobicContact CD1-CZ 4.03Å; L137-F173 HydrophobicContact CD2-CB 4.23Å; L137-F173 HydrophobicContact CD2-CD2 3.97Å; L137-F173 HydrophobicContact CD2-CG 4.03Å; L137-F173 HydrophobicContact CG-CD2 3.55Å; L137-F173 HydrophobicContact CG-CE2 3.88Å; L137-F173 HydrophobicContact CG-CG 4.14Å; L137-W242 HydrophobicContact CD2-CZ2 4.37Å; L137-W249 HydrophobicContact CD1-CB 3.56Å; L137-W249 HydrophobicContact CD1-CD2 4.1Å; L137-W249 HydrophobicContact CD1-CG 3.51Å
138	L	98.3	Very high	98.3	Very high	85 Å²	85	40.6 Å²	40.6	45%	0.445	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-42.1	175.9	-70.1	176.5	0	0	0	112.4	T134 S140 G141 V142 L250	T134-L138 HydrophobicContact CG2-CD1 4.08Å; T134-L138 WeakPolarHBondContact O-CB 3.38Å; T134-L138 VanDerWaalsContact O-CG 3.32Å; T134-L138 WeakPolarHBondContact O-CG 3.31Å; T134-L138 PolarHBondContact O-N 2.98Å; L138-S140 VanDerWaalsContact C-N 3.29Å; L138-S140 PolarHBondContact O-N 2.95Å; L138-G141 PolarHBondContact O-N 3.29Å; L138-V142 PolarHBondContact O-N 2.95Å; L138-L250 HydrophobicContact CD2-CD1 4.32Å; L138-L250 HydrophobicContact CD2-CD2 4.35Å
139	A	98.6	Very high	98.4	Very high	47 Å²	47	39.3 Å²	39.3	39%	0.388	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-38.7	174.2	0	0	0	0	0	111.8	S135 V136 L137 G141 V142 S143 L169	S135-A139 VanDerWaalsContact O-CB 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.33Å; S135-A139 PolarHBondContact O-N 3.31Å; V136-A139 PolarHBondContact O-N 3.44Å; L137-A139 VanDerWaalsContact C-N 3.33Å; L137-A139 PolarHBondContact O-N 3.44Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 3.19Å; A139-V142 WeakPolarHBondContact O-CB 3.29Å; A139-V142 PolarHBondContact O-N 3.5Å; A139-S143 PolarHBondContact O-N 3.2Å; A139-S143 PolarHBondContact O-OG 3.33Å; 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	-66.1	-34.2	176.4	83.3	0	0	0	0	112.6	V136 L137 L138 V142 S143 I144 W242	V136-S140 WeakPolarHBondContact O-CB 3.4Å; V136-S140 PolarHBondContact O-N 3.02Å; L137-S140 WeakPolarHBondContact O-CA 3.49Å; L137-S140 WeakPolarHBondContact O-CB 3.36Å; L137-S140 PolarHBondContact O-N 3.39Å; L137-S140 PolarHBondContact O-OG 2.94Å; L138-S140 VanDerWaalsContact C-N 3.29Å; L138-S140 PolarHBondContact O-N 2.95Å; S140-V142 VanDerWaalsContact C-N 3.31Å; S140-V142 PolarHBondContact O-N 2.99Å; S140-S143 WeakPolarHBondContact CA-OG 3.34Å; S140-S143 PolarHBondContact O-N 3.2Å; S140-S143 PolarHBondContact O-OG 3.2Å; S140-I144 WeakPolarHBondContact O-CG2 3.49Å; S140-I144 PolarHBondContact O-N 2.97Å; S140-W242 PolarHBondContact OG-NE1 3.38Å
141	G	98.3	Very high	98.5	Very high	8 Å²	8	37.4 Å²	37.4	8%	0.082	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-36.3	171.7	0	0	0	0	0	112.9	L137 L138 A139 I144 T145	L137-G141 PolarHBondContact O-N 3.41Å; L138-G141 PolarHBondContact O-N 3.29Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 3.19Å; G141-I144 VanDerWaalsContact O-CG2 3.28Å; G141-I144 WeakPolarHBondContact O-CG2 3.26Å; G141-T145 WeakPolarHBondContact O-CB 3.2Å; G141-T145 PolarHBondContact O-N 3.42Å; G141-T145 PolarHBondContact O-OG1 3.45Å
142	V	98.7	Very high	98.5	Very high	105 Å²	105	37.7 Å²	37.7	64%	0.636	21%	0.208	S	C	*	.	H	α-helix	trans	-70.3	-46.5	172.9	178.7	0	0	0	0	110.9	L138 A139 S140 I144 T145 W146	L138-V142 PolarHBondContact O-N 2.95Å; A139-V142 WeakPolarHBondContact O-CB 3.29Å; A139-V142 PolarHBondContact O-N 3.5Å; S140-V142 VanDerWaalsContact C-N 3.31Å; S140-V142 PolarHBondContact O-N 2.99Å; V142-I144 PolarHBondContact O-N 3.4Å; V142-T145 WeakPolarHBondContact O-CB 3.48Å; V142-T145 PolarHBondContact O-N 3.11Å; V142-W146 PolarHBondContact O-N 2.89Å
143	S	98.7	Very high	98.5	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.063	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-34.1	-178.1	60.7	0	0	0	0	113.1	A139 S140 W146 A147 T166	A139-S143 PolarHBondContact O-N 3.2Å; A139-S143 PolarHBondContact O-OG 3.33Å; S140-S143 WeakPolarHBondContact CA-OG 3.34Å; S140-S143 PolarHBondContact O-N 3.2Å; S140-S143 PolarHBondContact O-OG 3.2Å; S143-W146 WeakPolarHBondContact O-CB 3.11Å; S143-W146 PolarHBondContact O-N 2.81Å; S143-A147 PolarHBondContact O-N 3.43Å; S143-T166 WeakPolarHBondContact CB-OG1 3.15Å; S143-T166 PolarHBondContact OG-OG1 3.19Å
144	I	98.8	Very high	98.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-70	-34.9	174.8	-163.9	169	0	0	0	111.9	S140 G141 V142 A147 H148 T166 L215 F235 A239 W242	S140-I144 WeakPolarHBondContact O-CG2 3.49Å; S140-I144 PolarHBondContact O-N 2.97Å; G141-I144 VanDerWaalsContact O-CG2 3.28Å; G141-I144 WeakPolarHBondContact O-CG2 3.26Å; V142-I144 PolarHBondContact O-N 3.4Å; I144-A147 WeakPolarHBondContact O-CB 3.41Å; I144-A147 PolarHBondContact O-N 3.29Å; I144-H148 PolarHBondContact O-N 2.63Å; I144-T166 HydrophobicContact CB-CG2 3.85Å; I144-T166 HydrophobicContact CD1-CG2 4.36Å; I144-T166 HydrophobicContact CG1-CG2 4.41Å; I144-T166 PolarHBondContact N-OG1 3.48Å; I144-L215 HydrophobicContact CD1-CD1 4.22Å; I144-L215 HydrophobicContact CD1-CD2 3.48Å; I144-L215 VanDerWaalsContact CD1-CD2 3.48Å; I144-L215 HydrophobicContact CD1-CG 4.5Å; I144-L215 HydrophobicContact CG1-CD2 4.5Å; I144-F235 HydrophobicContact CG1-CZ 4.19Å; I144-A239 HydrophobicContact CD1-CB 3.8Å; I144-A239 HydrophobicContact CG1-CB 4.19Å; I144-W242 HydrophobicContact CD1-CB 3.82Å; I144-W242 HydrophobicContact CD1-CG 3.99Å
145	T	98.8	Very high	98.4	Very high	56 Å²	56	50 Å²	50	34%	0.344	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.6	-59.9	0	0	0	0	110.4	G141 V142 A147 H148 H149	G141-T145 WeakPolarHBondContact O-CB 3.2Å; G141-T145 PolarHBondContact O-N 3.42Å; G141-T145 PolarHBondContact O-OG1 3.45Å; V142-T145 WeakPolarHBondContact O-CB 3.48Å; V142-T145 PolarHBondContact O-N 3.11Å; T145-A147 VanDerWaalsContact C-N 3.35Å; T145-A147 PolarHBondContact O-N 2.8Å; T145-H148 WeakPolarHBondContact O-CB 3.4Å; T145-H148 PolarHBondContact O-N 3Å; T145-H148 VanDerWaalsContact O-N 3.17Å; T145-H149 PolarHBondContact O-CD2 2.95Å; T145-H149 VanDerWaalsContact O-CD2 3.3Å; T145-H149 PolarHBondContact O-N 3.44Å
146	W	98.8	Very high	98.4	Very high	99 Å²	99	50 Å²	50	38%	0.375	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-42	172.3	172	34.1	0	0	0	112.8	V142 S143 H148 H149 S150 Q161 A162 I165	V142-W146 PolarHBondContact O-N 2.89Å; S143-W146 WeakPolarHBondContact O-CB 3.11Å; S143-W146 PolarHBondContact O-N 2.81Å; W146-H148 VanDerWaalsContact C-N 3.29Å; W146-H148 PolarHBondContact O-N 3.48Å; W146-H149 PolarHBondContact O-N 3.42Å; W146-S150 PolarHBondContact NE1-OG 2.82Å; W146-S150 WeakPolarHBondContact O-CB 3.49Å; W146-S150 PolarHBondContact O-N 2.94Å; W146-S150 PolarHBondContact O-OG 3.01Å; W146-Q161 HydrophobicContact CH2-CG 4.32Å; W146-A162 HydrophobicContact CB-CB 4.33Å; 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 3.9Å; W146-A162 HydrophobicContact CH2-CB 4.48Å; W146-A162 HydrophobicContact CZ3-CB 3.84Å; W146-I165 HydrophobicContact CZ3-CD1 3.86Å
147	A	98.8	Very high	98.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-41	174.5	0	0	0	0	0	111.5	S143 I144 T145 S150 L151 M159 A162 L163 F235	S143-A147 PolarHBondContact O-N 3.43Å; I144-A147 WeakPolarHBondContact O-CB 3.41Å; I144-A147 PolarHBondContact O-N 3.29Å; T145-A147 VanDerWaalsContact C-N 3.35Å; T145-A147 PolarHBondContact O-N 2.8Å; A147-S150 PolarHBondContact O-N 2.97Å; A147-L151 WeakPolarHBondContact O-CB 3.36Å; A147-L151 PolarHBondContact O-N 2.68Å; A147-M159 WeakPolarHBondContact O-CG 3.42Å; A147-A162 HydrophobicContact CB-CB 3.67Å; A147-L163 HydrophobicContact CB-CB 4.22Å; A147-F235 HydrophobicContact CB-CE2 4.31Å; A147-F235 HydrophobicContact CB-CZ 3.95Å
148	H	98.8	Very high	98.4	Very high	48 Å²	48	58.4 Å²	58.4	22%	0.222	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-49.5	178.6	-166.3	-167	0	0	0	112.4	I144 T145 W146 S150 L151 M152 H232 F235	I144-H148 PolarHBondContact O-N 2.63Å; T145-H148 WeakPolarHBondContact O-CB 3.4Å; T145-H148 PolarHBondContact O-N 3Å; T145-H148 VanDerWaalsContact O-N 3.17Å; W146-H148 VanDerWaalsContact C-N 3.29Å; W146-H148 PolarHBondContact O-N 3.48Å; H148-S150 VanDerWaalsContact C-N 3.32Å; H148-S150 PolarHBondContact O-N 2.9Å; H148-L151 WeakPolarHBondContact O-CB 3.32Å; H148-L151 PolarHBondContact O-N 3.02Å; H148-L151 VanDerWaalsContact O-N 3.16Å; H148-M152 PolarHBondContact O-N 2.92Å; H148-H232 AromaticContact NE2-NE2 3.63Å; H148-F235 HydrophobicContact CB-CE1 3.58Å; H148-F235 HydrophobicContact CB-CZ 4.15Å; H148-F235 AromaticContact CD2-CE1 3.74Å; H148-F235 AromaticContact CG-CE1 3.75Å
149	H	98.5	Very high	98.4	Very high	94 Å²	94	54.4 Å²	54.4	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-43.5	176.8	-81.2	-78.9	0	0	0	111.6	T145 W146 L151 M152 E153	T145-H149 PolarHBondContact O-CD2 2.95Å; T145-H149 VanDerWaalsContact O-CD2 3.3Å; T145-H149 PolarHBondContact O-N 3.44Å; W146-H149 PolarHBondContact O-N 3.42Å; H149-L151 VanDerWaalsContact C-N 3.27Å; H149-L151 PolarHBondContact O-N 3.44Å; H149-M152 PolarHBondContact O-N 3.34Å; H149-E153 WeakPolarHBondContact O-CB 3.43Å; H149-E153 WeakPolarHBondContact O-CG 3.47Å; H149-E153 PolarHBondContact O-N 2.88Å
150	S	98.6	Very high	98.4	Very high	5 Å²	5	53.7 Å²	53.7	4%	0.035	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-36.8	176.2	-58.7	0	0	0	0	112.4	W146 A147 H148 N154 N155 Q158	W146-S150 PolarHBondContact NE1-OG 2.82Å; W146-S150 WeakPolarHBondContact O-CB 3.49Å; W146-S150 PolarHBondContact O-N 2.94Å; W146-S150 PolarHBondContact O-OG 3.01Å; A147-S150 PolarHBondContact O-N 2.97Å; H148-S150 VanDerWaalsContact C-N 3.32Å; H148-S150 PolarHBondContact O-N 2.9Å; S150-N154 PolarHBondContact O-N 3.17Å; S150-N155 PolarHBondContact O-N 3.42Å; S150-Q158 WeakPolarHBondContact OG-CB 3.41Å
151	L	98.4	Very high	98.4	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-44.1	175.6	-177.1	59	0	0	0	112.1	A147 H148 H149 E153 N154 M159 F227 S229 H232 F235	A147-L151 WeakPolarHBondContact O-CB 3.36Å; A147-L151 PolarHBondContact O-N 2.68Å; H148-L151 WeakPolarHBondContact O-CB 3.32Å; H148-L151 PolarHBondContact O-N 3.02Å; H148-L151 VanDerWaalsContact O-N 3.16Å; H149-L151 VanDerWaalsContact C-N 3.27Å; H149-L151 PolarHBondContact O-N 3.44Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-N154 PolarHBondContact O-N 3.01Å; L151-N154 VanDerWaalsContact O-N 3.16Å; L151-M159 HydrophobicContact CB-CG 3.84Å; L151-M159 HydrophobicContact CD1-CG 4.28Å; L151-M159 HydrophobicContact CD2-CE 4.25Å; L151-F227 HydrophobicContact CD1-CB 4.01Å; L151-F227 HydrophobicContact CD2-CB 4.44Å; L151-S229 WeakPolarHBondContact O-CA 3.32Å; L151-H232 HydrophobicContact CD2-CB 3.64Å; L151-H232 VanDerWaalsContact CD2-CG 3.46Å; L151-F235 HydrophobicContact CD2-CB 4.33Å; L151-F235 HydrophobicContact CD2-CD1 4.03Å; L151-F235 HydrophobicContact CD2-CG 4.09Å
152	M	98.3	Very high	98.4	Very high	83 Å²	83	58 Å²	58	41%	0.409	29%	0.288	S	S	.	.	H	α-helix	trans	-66.7	-34.9	177.9	-67.5	-169.8	-68.4	0	0	112.3	H148 H149 N154 S229	H148-M152 PolarHBondContact O-N 2.92Å; H149-M152 PolarHBondContact O-N 3.34Å; M152-N154 PolarHBondContact O-N 3.5Å; M152-S229 WeakPolarHBondContact O-CB 3.47Å
153	E	98.2	Very high	98.4	Very high	142 Å²	142	53 Å²	53	66%	0.664	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	1.8	174.8	-68.6	175.2	-168.4	0	0	113.4	H149 L151 N155	H149-E153 WeakPolarHBondContact O-CB 3.43Å; H149-E153 WeakPolarHBondContact O-CG 3.47Å; H149-E153 PolarHBondContact O-N 2.88Å; L151-E153 VanDerWaalsContact C-N 3.33Å; E153-N155 PolarHBondContact O-N 3.23Å
154	N	96.4	Very high	98.4	Very high	123 Å²	123	56.1 Å²	56.1	66%	0.658	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	24.6	-178.8	-157.3	39.3	0	0	0	113.9	S150 L151 M152 R156	S150-N154 PolarHBondContact O-N 3.17Å; L151-N154 PolarHBondContact O-N 3.01Å; L151-N154 VanDerWaalsContact O-N 3.16Å; M152-N154 PolarHBondContact O-N 3.5Å; N154-R156 PolarHBondContact O-N 2.78Å
155	N	98.1	Very high	98.4	Very high	69 Å²	69	59 Å²	59	37%	0.369	29%	0.288	S	S	.	.			trans	-88	87.9	175.3	-168	-22.9	0	0	0	110.7	S150 E153 N157 Q158 M159	S150-N155 PolarHBondContact O-N 3.42Å; E153-N155 PolarHBondContact O-N 3.23Å; N155-N157 PolarHBondContact O-N 3.09Å; N155-Q158 HydrophobicContact CB-CB 4.34Å; N155-Q158 VanDerWaalsContact ND2-CG 3.31Å; N155-Q158 WeakPolarHBondContact ND2-CG 3.46Å; N155-Q158 PolarHBondContact O-N 3.12Å; N155-Q158 WeakPolarHBondContact OD1-CG 3.42Å; N155-Q158 PolarHBondContact OD1-N 3.09Å; N155-M159 WeakPolarHBondContact O-CB 3.48Å; N155-M159 PolarHBondContact O-N 3.37Å
156	R	97.7	Very high	98.4	Very high	63 Å²	63	56.3 Å²	56.3	24%	0.238	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-43.6	-173.9	179.8	177.6	174.6	91	-3.4	113.7	N154 M159 I160 Q222 L223 F225	N154-R156 PolarHBondContact O-N 2.78Å; R156-M159 PolarHBondContact O-N 2.67Å; R156-I160 HydrophobicContact CG-CD1 3.72Å; R156-I160 HydrophobicContact CG-CG1 4.46Å; R156-I160 VanDerWaalsContact O-CG1 3.3Å; R156-I160 WeakPolarHBondContact O-CG1 3.45Å; R156-I160 PolarHBondContact O-N 3.45Å; R156-Q222 PolarHBondContact NH1-O 2.88Å; R156-Q222 PolarHBondContact NH2-O 2.72Å; R156-L223 PolarHBondContact NH2-O 3.35Å; R156-F225 VanDerWaalsContact NH2-CZ 3.33Å
157	N	98.1	Very high	98.4	Very high	123 Å²	123	52.1 Å²	52.1	66%	0.658	26%	0.257	S	S	*	.	H	α-helix	trans	-64.8	-44.6	-176.3	-70.5	-12	0	0	0	110.7	N155 I160 Q161	N155-N157 PolarHBondContact O-N 3.09Å; N157-I160 PolarHBondContact O-N 2.92Å; N157-Q161 WeakPolarHBondContact O-CB 3.46Å; N157-Q161 PolarHBondContact O-N 3.19Å
158	Q	98.5	Very high	98.4	Very high	61 Å²	61	56.8 Å²	56.8	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-40.3	178.1	-65.5	-60.2	-13.2	0	0	112.2	S150 N155 I160 Q161 A162	S150-Q158 WeakPolarHBondContact OG-CB 3.41Å; N155-Q158 HydrophobicContact CB-CB 4.34Å; N155-Q158 VanDerWaalsContact ND2-CG 3.31Å; N155-Q158 WeakPolarHBondContact ND2-CG 3.46Å; N155-Q158 PolarHBondContact O-N 3.12Å; N155-Q158 WeakPolarHBondContact OD1-CG 3.42Å; N155-Q158 PolarHBondContact OD1-N 3.09Å; Q158-I160 PolarHBondContact O-N 3.26Å; Q158-Q161 PolarHBondContact O-N 3.04Å; Q158-A162 WeakPolarHBondContact O-CB 3.21Å; Q158-A162 PolarHBondContact O-N 3.48Å
159	M	98.5	Very high	98.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-48.1	175.1	-172	-73.7	-176.2	0	0	111.5	A147 L151 N155 R156 L163 Q222 F227 F235	A147-M159 WeakPolarHBondContact O-CG 3.42Å; L151-M159 HydrophobicContact CB-CG 3.84Å; L151-M159 HydrophobicContact CD1-CG 4.28Å; L151-M159 HydrophobicContact CD2-CE 4.25Å; N155-M159 WeakPolarHBondContact O-CB 3.48Å; N155-M159 PolarHBondContact O-N 3.37Å; R156-M159 PolarHBondContact O-N 2.67Å; M159-L163 HydrophobicContact CE-CD2 3.76Å; M159-L163 WeakPolarHBondContact O-CB 3.17Å; M159-L163 PolarHBondContact O-N 3.02Å; M159-L163 HydrophobicContact SD-CB 4.42Å; M159-L163 HydrophobicContact SD-CD2 4.15Å; M159-Q222 HydrophobicContact CE-CB 4Å; M159-Q222 HydrophobicContact CE-CG 4Å; M159-Q222 HydrophobicContact SD-CB 3.95Å; M159-Q222 VanDerWaalsContact SD-CD 3.57Å; M159-Q222 HydrophobicContact SD-CG 3.38Å; M159-Q222 WeakPolarHBondContact SD-CG 3.47Å; M159-F227 HydrophobicContact CE-CD2 4.43Å; M159-F235 HydrophobicContact CE-CD2 3.72Å; M159-F235 HydrophobicContact CE-CE2 3.76Å
160	I	98.7	Very high	98.4	Very high	33 Å²	33	51.8 Å²	51.8	17%	0.169	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-46.7	179.3	-70	168.4	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 3.3Å; R156-I160 WeakPolarHBondContact O-CG1 3.45Å; R156-I160 PolarHBondContact O-N 3.45Å; N157-I160 PolarHBondContact O-N 2.92Å; Q158-I160 PolarHBondContact O-N 3.26Å; I160-L164 WeakPolarHBondContact O-CB 3.37Å; I160-L164 PolarHBondContact O-N 3.46Å; I160-F219 HydrophobicContact CB-CE2 4.48Å; I160-F219 HydrophobicContact CG2-CE2 3.62Å; I160-F219 HydrophobicContact CG2-CZ 4.06Å; I160-Q222 HydrophobicContact CD1-CG 4.43Å; I160-Q222 HydrophobicContact CG1-CG 3.81Å; I160-L223 HydrophobicContact CD1-CD2 3.77Å; I160-L223 HydrophobicContact CG1-CD2 4.24Å; I160-L223 HydrophobicContact CG2-CD2 4.3Å
161	Q	98.8	Very high	98.4	Very high	97 Å²	97	55.8 Å²	55.8	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-50.7	179.8	179.1	177.9	-7.2	0	0	111.7	W146 N157 Q158 L163 L164 I165	W146-Q161 HydrophobicContact CH2-CG 4.32Å; N157-Q161 WeakPolarHBondContact O-CB 3.46Å; N157-Q161 PolarHBondContact O-N 3.19Å; Q158-Q161 PolarHBondContact O-N 3.04Å; Q161-L163 PolarHBondContact O-N 3.3Å; Q161-L164 PolarHBondContact O-N 3.2Å; Q161-I165 HydrophobicContact CG-CD1 4.04Å; Q161-I165 WeakPolarHBondContact O-CG1 3.34Å; Q161-I165 PolarHBondContact O-N 3Å
162	A	98.8	Very high	98.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-41.1	-178.3	0	0	0	0	0	112.2	W146 A147 Q158 I165 T166	W146-A162 HydrophobicContact CB-CB 4.33Å; 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 3.9Å; 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 3.21Å; Q158-A162 PolarHBondContact O-N 3.48Å; A162-I165 PolarHBondContact O-N 3.23Å; A162-T166 PolarHBondContact O-N 2.9Å; A162-T166 PolarHBondContact O-OG1 3.27Å
163	L	98.8	Very high	98.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-39.2	176.7	-177.1	54.7	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 3.76Å; M159-L163 WeakPolarHBondContact O-CB 3.17Å; M159-L163 PolarHBondContact O-N 3.02Å; M159-L163 HydrophobicContact SD-CB 4.42Å; M159-L163 HydrophobicContact SD-CD2 4.15Å; Q161-L163 PolarHBondContact O-N 3.3Å; L163-T166 WeakPolarHBondContact O-CB 3.38Å; L163-T166 PolarHBondContact O-N 3.2Å; L163-I167 HydrophobicContact CD1-CD1 4.36Å; L163-I167 HydrophobicContact CG-CD1 4.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.21Å; L163-I167 PolarHBondContact O-N 3.49Å; L163-L215 HydrophobicContact CD1-CB 4.21Å; L163-L215 HydrophobicContact CD1-CD2 4Å; L163-C218 HydrophobicContact CD2-CB 4.35Å; L163-F219 HydrophobicContact CB-CD2 4.36Å; L163-F219 HydrophobicContact CD2-CB 3.8Å; L163-F219 HydrophobicContact CD2-CD2 4.15Å; L163-F219 HydrophobicContact CG-CB 4.17Å; L163-F219 HydrophobicContact CG-CD2 4.12Å; L163-F235 HydrophobicContact CD1-CE2 4.2Å; L163-F235 HydrophobicContact CD2-CE2 4.29Å
164	L	98.8	Very high	98.5	Very high	75 Å²	75	51.5 Å²	51.5	39%	0.393	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-44.5	174.6	-179	61.7	0	0	0	111.4	I160 Q161 T166 I167 L168 F219	I160-L164 WeakPolarHBondContact O-CB 3.37Å; I160-L164 PolarHBondContact O-N 3.46Å; Q161-L164 PolarHBondContact O-N 3.2Å; L164-T166 VanDerWaalsContact C-N 3.31Å; L164-T166 PolarHBondContact O-N 2.75Å; L164-I167 PolarHBondContact O-N 3.41Å; L164-L168 HydrophobicContact CD1-CD1 4.45Å; L164-L168 HydrophobicContact CD1-CG 4.35Å; L164-L168 HydrophobicContact CG-CD1 4.18Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CG 3.14Å; L164-L168 PolarHBondContact O-N 3.49Å; L164-F219 HydrophobicContact CB-CE2 3.94Å; L164-F219 HydrophobicContact CB-CZ 4.5Å; L164-F219 HydrophobicContact CD1-CZ 4.38Å
165	I	98.9	Very high	98.6	Very high	61 Å²	61	51.5 Å²	51.5	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-57.9	-46	175.7	-69.7	161.9	0	0	0	110.6	W146 Q161 A162 I167 L168 L169	W146-I165 HydrophobicContact CZ3-CD1 3.86Å; Q161-I165 HydrophobicContact CG-CD1 4.04Å; Q161-I165 WeakPolarHBondContact O-CG1 3.34Å; Q161-I165 PolarHBondContact O-N 3Å; A162-I165 PolarHBondContact O-N 3.23Å; I165-I167 VanDerWaalsContact C-N 3.34Å; I165-I167 PolarHBondContact O-N 3.44Å; I165-L168 PolarHBondContact O-N 3.44Å; I165-L169 HydrophobicContact CG2-CD1 3.88Å; I165-L169 HydrophobicContact CG2-CG 4.35Å; I165-L169 WeakPolarHBondContact O-CG 3.38Å; I165-L169 PolarHBondContact O-N 2.77Å
166	T	98.8	Very high	98.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-46.9	178.1	-51.5	0	0	0	0	111.6	S143 I144 A162 L163 L164 L168 L169 G170 L215 W242	S143-T166 WeakPolarHBondContact CB-OG1 3.15Å; S143-T166 PolarHBondContact OG-OG1 3.19Å; I144-T166 HydrophobicContact CB-CG2 3.85Å; I144-T166 HydrophobicContact CD1-CG2 4.36Å; I144-T166 HydrophobicContact CG1-CG2 4.41Å; I144-T166 PolarHBondContact N-OG1 3.48Å; A162-T166 PolarHBondContact O-N 2.9Å; A162-T166 PolarHBondContact O-OG1 3.27Å; L163-T166 WeakPolarHBondContact O-CB 3.38Å; L163-T166 PolarHBondContact O-N 3.2Å; L164-T166 VanDerWaalsContact C-N 3.31Å; L164-T166 PolarHBondContact O-N 2.75Å; T166-L168 PolarHBondContact O-N 3.42Å; T166-L169 PolarHBondContact O-N 2.96Å; T166-G170 PolarHBondContact O-N 3.16Å; T166-L215 HydrophobicContact CG2-CD1 3.74Å; T166-W242 HydrophobicContact CG2-CZ2 4.48Å
167	I	98.8	Very high	98.7	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.062	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-43.7	179	-67.4	162.7	0	0	0	111	L163 L164 I165 L169 G170 L171 L215 F219	L163-I167 HydrophobicContact CD1-CD1 4.36Å; L163-I167 HydrophobicContact CG-CD1 4.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.21Å; L163-I167 PolarHBondContact O-N 3.49Å; L164-I167 PolarHBondContact O-N 3.41Å; I165-I167 VanDerWaalsContact C-N 3.34Å; I165-I167 PolarHBondContact O-N 3.44Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-L169 PolarHBondContact O-N 2.87Å; I167-G170 PolarHBondContact O-N 2.95Å; I167-L171 HydrophobicContact CG2-CD1 4.21Å; I167-L171 WeakPolarHBondContact O-CG 3.47Å; I167-L171 PolarHBondContact O-N 2.89Å; I167-L215 HydrophobicContact CD1-CB 4.31Å; I167-L215 HydrophobicContact CG1-CB 3.81Å; I167-F219 HydrophobicContact CD1-CB 3.76Å; I167-F219 HydrophobicContact CD1-CD2 4.45Å; I167-F219 HydrophobicContact CD1-CG 4.17Å
168	L	98.8	Very high	98.7	Very high	97 Å²	97	43.5 Å²	43.5	51%	0.508	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-38.5	178.7	-68.9	176	0	0	0	112.1	L164 I165 T166 L171 Y172	L164-L168 HydrophobicContact CD1-CD1 4.45Å; L164-L168 HydrophobicContact CD1-CG 4.35Å; L164-L168 HydrophobicContact CG-CD1 4.18Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CG 3.14Å; L164-L168 PolarHBondContact O-N 3.49Å; I165-L168 PolarHBondContact O-N 3.44Å; T166-L168 PolarHBondContact O-N 3.42Å; L168-L171 PolarHBondContact O-N 2.83Å; L168-Y172 WeakPolarHBondContact O-CB 3.3Å; L168-Y172 PolarHBondContact O-N 2.84Å
169	L	98.8	Very high	98.7	Very high	38 Å²	38	43 Å²	43	20%	0.199	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-41.1	174.3	-70.5	170.7	0	0	0	111.7	V136 A139 I165 T166 I167 Y172 F173	V136-L169 HydrophobicContact CG1-CB 4.01Å; V136-L169 HydrophobicContact CG1-CD2 4.09Å; V136-L169 WeakPolarHBondContact CG1-O 3.35Å; A139-L169 HydrophobicContact CB-CD1 4.13Å; I165-L169 HydrophobicContact CG2-CD1 3.88Å; I165-L169 HydrophobicContact CG2-CG 4.35Å; I165-L169 WeakPolarHBondContact O-CG 3.38Å; I165-L169 PolarHBondContact O-N 2.77Å; T166-L169 PolarHBondContact O-N 2.96Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-L169 PolarHBondContact O-N 2.87Å; L169-Y172 PolarHBondContact O-N 3.35Å; L169-F173 PolarHBondContact O-N 2.94Å
170	G	98.6	Very high	98.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-41.9	174	0	0	0	0	0	113.6	T166 I167 Y172 T174	T166-G170 PolarHBondContact O-N 3.16Å; I167-G170 PolarHBondContact O-N 2.95Å; G170-Y172 VanDerWaalsContact C-N 3.35Å; G170-T174 PolarHBondContact O-N 3.07Å; G170-T174 VanDerWaalsContact O-N 3.08Å; G170-T174 PolarHBondContact O-OG1 2.97Å
171	L	98.5	Very high	98.6	Very high	88 Å²	88	45.2 Å²	45.2	46%	0.461	24%	0.237	S	C	.	.	H	α-helix	trans	-64.6	-40.8	173.3	-70.5	174	0	0	0	111.4	I167 L168 T174 L175	I167-L171 HydrophobicContact CG2-CD1 4.21Å; I167-L171 WeakPolarHBondContact O-CG 3.47Å; I167-L171 PolarHBondContact O-N 2.89Å; L168-L171 PolarHBondContact O-N 2.83Å; L171-T174 WeakPolarHBondContact O-CB 3.44Å; L171-T174 PolarHBondContact O-N 3.04Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 3.48Å
172	Y	98.8	Very high	98.6	Very high	104 Å²	104	48.8 Å²	48.8	41%	0.408	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-46.1	178.1	-177.3	-127.6	0	0	0	112	V136 L168 L169 G170 T174 L175 L176	V136-Y172 HydrophobicContact CG1-CD1 4.1Å; V136-Y172 HydrophobicContact CG2-CD1 3.6Å; V136-Y172 HydrophobicContact CG2-CE1 3.72Å; L168-Y172 WeakPolarHBondContact O-CB 3.3Å; L168-Y172 PolarHBondContact O-N 2.84Å; L169-Y172 PolarHBondContact O-N 3.35Å; G170-Y172 VanDerWaalsContact C-N 3.35Å; Y172-T174 VanDerWaalsContact C-N 3.29Å; Y172-T174 PolarHBondContact O-N 3.41Å; Y172-L175 PolarHBondContact O-N 2.88Å; Y172-L176 HydrophobicContact CD1-CD1 4Å; Y172-L176 HydrophobicContact CD2-CD1 4.48Å; Y172-L176 HydrophobicContact CD2-CG 4.32Å; Y172-L176 HydrophobicContact CE1-CD1 3.6Å; Y172-L176 HydrophobicContact CE1-CG 4.36Å; Y172-L176 HydrophobicContact CE2-CD1 4.11Å; Y172-L176 HydrophobicContact CE2-CD2 4.11Å; Y172-L176 HydrophobicContact CE2-CG 3.97Å; Y172-L176 HydrophobicContact CG-CD1 4.43Å; Y172-L176 WeakPolarHBondContact O-CG 3.39Å; Y172-L176 PolarHBondContact O-N 3.36Å
173	F	98.8	Very high	98.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-54.1	-46.4	171.3	174	-82.1	0	0	0	111.5	N133 V136 L137 L169 L175 L176 Q177 H204 V208 W249	N133-F173 HydrophobicContact CB-CD2 3.7Å; N133-F173 HydrophobicContact CB-CE2 3.65Å; V136-F173 HydrophobicContact CG1-CB 4.05Å; L137-F173 HydrophobicContact CD1-CD2 3.71Å; L137-F173 HydrophobicContact CD1-CE2 3.47Å; L137-F173 VanDerWaalsContact CD1-CE2 3.47Å; L137-F173 HydrophobicContact CD1-CG 4.41Å; L137-F173 HydrophobicContact CD1-CZ 4.03Å; L137-F173 HydrophobicContact CD2-CB 4.23Å; L137-F173 HydrophobicContact CD2-CD2 3.97Å; L137-F173 HydrophobicContact CD2-CG 4.03Å; L137-F173 HydrophobicContact CG-CD2 3.55Å; L137-F173 HydrophobicContact CG-CE2 3.88Å; L137-F173 HydrophobicContact CG-CG 4.14Å; L169-F173 PolarHBondContact O-N 2.94Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 2.95Å; F173-L176 PolarHBondContact O-N 3.44Å; F173-Q177 HydrophobicContact CE1-CB 4.3Å; F173-Q177 WeakPolarHBondContact O-CB 3.46Å; F173-Q177 PolarHBondContact O-N 2.97Å; F173-H204 AromaticContact CZ-CE1 3.7Å; F173-H204 AromaticContact CZ-ND1 3.93Å; F173-V208 HydrophobicContact CD1-CB 4.39Å; F173-V208 HydrophobicContact CD1-CG1 3.87Å; F173-V208 HydrophobicContact CD1-CG2 4.03Å; F173-V208 HydrophobicContact CE1-CB 4.41Å; F173-V208 HydrophobicContact CE1-CG1 4.37Å; F173-V208 HydrophobicContact CE1-CG2 3.72Å; F173-V208 HydrophobicContact CZ-CG2 4.45Å; F173-W249 AromaticContact CE2-CD2 3.76Å; F173-W249 HydrophobicContact CE2-CD2 3.76Å; F173-W249 AromaticContact CE2-CE2 3.84Å; F173-W249 AromaticContact CE2-CE3 3.79Å; F173-W249 HydrophobicContact CE2-CE3 3.79Å; F173-W249 HydrophobicContact CE2-CG 4.44Å; F173-W249 AromaticContact CE2-CH2 3.95Å; F173-W249 HydrophobicContact CE2-CH2 3.95Å; F173-W249 AromaticContact CE2-CZ2 3.95Å; F173-W249 HydrophobicContact CE2-CZ2 3.95Å; F173-W249 AromaticContact CE2-CZ3 3.88Å; F173-W249 HydrophobicContact CE2-CZ3 3.88Å; F173-W249 AromaticContact CZ-CD2 3.99Å; F173-W249 HydrophobicContact CZ-CD2 3.99Å; F173-W249 AromaticContact CZ-CE3 3.53Å; F173-W249 HydrophobicContact CZ-CE3 3.53Å; F173-W249 HydrophobicContact CZ-CH2 4.03Å; F173-W249 HydrophobicContact CZ-CZ2 4.46Å; F173-W249 AromaticContact CZ-CZ3 3.55Å; F173-W249 HydrophobicContact CZ-CZ3 3.55Å
174	T	98.8	Very high	98.5	Very high	38 Å²	38	56.5 Å²	56.5	23%	0.233	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-39.8	-178.8	-55.2	0	0	0	0	111.7	G170 L171 Y172 A178 I209	G170-T174 PolarHBondContact O-N 3.07Å; G170-T174 VanDerWaalsContact O-N 3.08Å; G170-T174 PolarHBondContact O-OG1 2.97Å; L171-T174 WeakPolarHBondContact O-CB 3.44Å; L171-T174 PolarHBondContact O-N 3.04Å; Y172-T174 VanDerWaalsContact C-N 3.29Å; Y172-T174 PolarHBondContact O-N 3.41Å; T174-A178 WeakPolarHBondContact O-CB 3.39Å; T174-A178 PolarHBondContact O-N 3.24Å; T174-I209 HydrophobicContact CG2-CD1 4.2Å; T174-I209 HydrophobicContact CG2-CG1 4Å
175	L	98.7	Very high	98.4	Very high	122 Å²	122	56.9 Å²	56.9	64%	0.639	30%	0.296	S	S	*	.	H	α-helix	trans	-69.1	-42.5	177	-68.2	172.7	0	0	0	112.1	L171 Y172 F173 A178 S179	L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 3.48Å; Y172-L175 PolarHBondContact O-N 2.88Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 2.95Å; L175-A178 PolarHBondContact O-N 3.25Å; L175-S179 PolarHBondContact O-N 3.39Å
176	L	98.5	Very high	98.4	Very high	21 Å²	21	54 Å²	54	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-47.4	174.9	-73.3	176.1	0	0	0	110.9	V129 L132 N133 Y172 F173 A178 S179 E180	V129-L176 HydrophobicContact CG1-CB 4.18Å; V129-L176 HydrophobicContact CG1-CD2 4.43Å; L132-L176 HydrophobicContact CD2-CD1 3.71Å; L132-L176 HydrophobicContact CD2-CD2 4.14Å; L132-L176 HydrophobicContact CG-CD1 3.88Å; N133-L176 WeakPolarHBondContact OD1-CB 3.37Å; N133-L176 WeakPolarHBondContact OD1-CD1 3.36Å; Y172-L176 HydrophobicContact CD1-CD1 4Å; Y172-L176 HydrophobicContact CD2-CD1 4.48Å; Y172-L176 HydrophobicContact CD2-CG 4.32Å; Y172-L176 HydrophobicContact CE1-CD1 3.6Å; Y172-L176 HydrophobicContact CE1-CG 4.36Å; Y172-L176 HydrophobicContact CE2-CD1 4.11Å; Y172-L176 HydrophobicContact CE2-CD2 4.11Å; Y172-L176 HydrophobicContact CE2-CG 3.97Å; Y172-L176 HydrophobicContact CG-CD1 4.43Å; Y172-L176 WeakPolarHBondContact O-CG 3.39Å; Y172-L176 PolarHBondContact O-N 3.36Å; F173-L176 PolarHBondContact O-N 3.44Å; L176-A178 VanDerWaalsContact C-N 3.31Å; L176-A178 PolarHBondContact O-N 3.14Å; L176-S179 PolarHBondContact O-N 2.93Å; L176-S179 VanDerWaalsContact O-N 3.17Å; L176-S179 PolarHBondContact O-OG 2.9Å; L176-E180 PolarHBondContact O-N 3.39Å
177	Q	98.4	Very high	98.4	Very high	8 Å²	8	57 Å²	57	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-39	177.3	-164.4	68.8	8.1	0	0	112.1	N133 F173 E180 Y181 Y257	N133-Q177 PolarHBondContact ND2-OE1 2.91Å; N133-Q177 VanDerWaalsContact ND2-OE1 3.07Å; F173-Q177 HydrophobicContact CE1-CB 4.3Å; F173-Q177 WeakPolarHBondContact O-CB 3.46Å; F173-Q177 PolarHBondContact O-N 2.97Å; Q177-E180 PolarHBondContact O-N 3.42Å; Q177-Y181 HydrophobicContact CG-CE1 4.05Å; Q177-Y181 VanDerWaalsContact NE2-CE1 3.27Å; Q177-Y181 PolarHBondContact NE2-OH 2.84Å; Q177-Y181 WeakPolarHBondContact O-CD1 3.44Å; Q177-Y181 PolarHBondContact O-N 2.78Å; Q177-Y257 PolarHBondContact NE2-OH 3.43Å
178	A	98.4	Very high	98.4	Very high	58 Å²	58	61.3 Å²	61.3	48%	0.479	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-40.3	175.2	0	0	0	0	0	112.2	T174 L175 L176 Y181 F182	T174-A178 WeakPolarHBondContact O-CB 3.39Å; T174-A178 PolarHBondContact O-N 3.24Å; L175-A178 PolarHBondContact O-N 3.25Å; L176-A178 VanDerWaalsContact C-N 3.31Å; L176-A178 PolarHBondContact O-N 3.14Å; A178-Y181 PolarHBondContact O-N 2.84Å; A178-F182 PolarHBondContact O-N 3.34Å
179	S	98.3	Very high	98.4	Very high	52 Å²	52	61.4 Å²	61.4	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-39.9	174.2	65.9	0	0	0	0	112.2	L175 L176 Y181 F182 E183	L175-S179 PolarHBondContact O-N 3.39Å; L176-S179 PolarHBondContact O-N 2.93Å; L176-S179 VanDerWaalsContact O-N 3.17Å; L176-S179 PolarHBondContact O-OG 2.9Å; S179-Y181 VanDerWaalsContact C-N 3.31Å; S179-Y181 PolarHBondContact O-N 3.24Å; S179-F182 PolarHBondContact O-N 3.33Å; S179-F182 VanDerWaalsContact O-N 3.09Å; S179-E183 WeakPolarHBondContact O-CG 3.28Å; S179-E183 PolarHBondContact O-N 3.48Å
180	E	98.2	Very high	98.3	Very high	11 Å²	11	62.7 Å²	62.7	5%	0.051	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-40.8	176.6	-172	-179.4	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 3.34Å; L176-E180 PolarHBondContact O-N 3.39Å; Q177-E180 PolarHBondContact O-N 3.42Å; E180-F182 VanDerWaalsContact C-N 3.29Å; E180-F182 PolarHBondContact O-N 2.78Å; E180-E183 PolarHBondContact O-N 3.43Å; E180-S184 VanDerWaalsContact O-CB 3.29Å; E180-S184 WeakPolarHBondContact O-CB 3.45Å; E180-S184 PolarHBondContact O-N 3.43Å; E180-Y257 VanDerWaalsContact OE1-CE1 3.23Å; E180-Y257 WeakPolarHBondContact OE1-CE1 3.25Å; E180-Y257 VanDerWaalsContact OE1-CZ 3.31Å; E180-Y257 PolarHBondContact OE1-OH 2.89Å
181	Y	98.3	Very high	98.3	Very high	67 Å²	67	64.7 Å²	64.7	26%	0.263	36%	0.358	S	S	.	.	H	α-helix	trans	-68.5	-26.8	175.7	-74.1	7	0	0	0	113.6	Q177 A178 S179 S184 F197 F198 T201 G202	Q177-Y181 HydrophobicContact CG-CE1 4.05Å; Q177-Y181 VanDerWaalsContact NE2-CE1 3.27Å; Q177-Y181 PolarHBondContact NE2-OH 2.84Å; Q177-Y181 WeakPolarHBondContact O-CD1 3.44Å; Q177-Y181 PolarHBondContact O-N 2.78Å; A178-Y181 PolarHBondContact O-N 2.84Å; S179-Y181 VanDerWaalsContact C-N 3.31Å; S179-Y181 PolarHBondContact O-N 3.24Å; Y181-S184 PolarHBondContact O-OG 3.14Å; Y181-S184 VanDerWaalsContact O-OG 3.1Å; Y181-F197 HydrophobicContact CE1-CE1 4.08Å; Y181-F198 HydrophobicContact CD1-CD1 4.21Å; Y181-F198 AromaticContact CD1-CE1 3.77Å; Y181-F198 HydrophobicContact CD1-CE1 3.77Å; Y181-F198 HydrophobicContact CD2-CD1 4.3Å; Y181-F198 HydrophobicContact CD2-CE1 4.27Å; Y181-F198 HydrophobicContact CE1-CD1 4.16Å; Y181-F198 HydrophobicContact CE1-CE1 4.15Å; Y181-F198 HydrophobicContact CE2-CD1 4.27Å; 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 3.26Å; Y181-T201 WeakPolarHBondContact OH-CB 3.42Å; Y181-T201 PolarHBondContact OH-O 3.17Å; Y181-T201 PolarHBondContact OH-OG1 2.99Å; Y181-G202 WeakPolarHBondContact OH-CA 3.43Å; Y181-G202 PolarHBondContact OH-N 3.48Å; Y181-G202 VanDerWaalsContact OH-N 3.09Å
182	F	97.8	Very high	98.3	Very high	172 Å²	172	63.3 Å²	63.3	75%	0.754	35%	0.351	S	S	*	.	H	α-helix	trans	-80.1	-37.1	178.1	-170.9	-96.9	0	0	0	111.8	A178 S179 E180	A178-F182 PolarHBondContact O-N 3.34Å; S179-F182 PolarHBondContact O-N 3.33Å; S179-F182 VanDerWaalsContact O-N 3.09Å; E180-F182 VanDerWaalsContact C-N 3.29Å; E180-F182 PolarHBondContact O-N 2.78Å
183	E	97.6	Very high	98.3	Very high	146 Å²	146	58.6 Å²	58.6	68%	0.682	33%	0.332	S	S	*	.	H	α-helix	trans	-90.3	-8.8	-178.3	-60.9	-63.2	152.5	0	0	113.3	S179 E180	S179-E183 WeakPolarHBondContact O-CG 3.28Å; S179-E183 PolarHBondContact O-N 3.48Å; E180-E183 PolarHBondContact O-N 3.43Å
184	S	97.9	Very high	98.2	Very high	16 Å²	16	58.6 Å²	58.6	11%	0.112	33%	0.332	C	S	.	.			trans	-61.6	130.4	-178.5	57.2	0	0	0	0	111.3	E180 Y181 F186	E180-S184 VanDerWaalsContact O-CB 3.29Å; E180-S184 WeakPolarHBondContact O-CB 3.45Å; E180-S184 PolarHBondContact O-N 3.43Å; Y181-S184 PolarHBondContact O-OG 3.14Å; Y181-S184 VanDerWaalsContact O-OG 3.1Å; S184-F186 PolarHBondContact O-N 3.04Å; S184-F186 VanDerWaalsContact O-N 3.17Å; S184-F186 PolarHBondContact OG-O 2.95Å; S184-F186 VanDerWaalsContact OG-O 3.07Å
185	P	97.8	Very high	98.2	Very high	83 Å²	83	59.1 Å²	59.1	54%	0.539	34%	0.337	S	S	.	.	S	Bend	trans	-77.1	0.7	-178.1	32.7	-36.8	0	0	0	113.5	T122	T122-P185 VanDerWaalsContact O-CG 3.25Å; T122-P185 WeakPolarHBondContact O-CG 3.43Å; T122-P185 WeakPolarHBondContact OG1-CB 3.43Å; T122-P185 WeakPolarHBondContact OG1-CG 3.47Å
186	F	98.4	Very high	98.2	Very high	2 Å²	2	54 Å²	54	1%	0.009	31%	0.311	C	S	.	.	S	Bend	trans	-130.9	160.6	175.9	60.7	-90.4	0	0	0	109.6	I121 L124 S184 D190 Y193 F197 F198	I121-F186 HydrophobicContact CD1-CB 4.11Å; I121-F186 HydrophobicContact CG2-CD1 4.49Å; L124-F186 HydrophobicContact CG-CE1 4.16Å; L124-F186 HydrophobicContact CG-CZ 4.38Å; S184-F186 PolarHBondContact O-N 3.04Å; S184-F186 VanDerWaalsContact O-N 3.17Å; S184-F186 PolarHBondContact OG-O 2.95Å; S184-F186 VanDerWaalsContact OG-O 3.07Å; F186-D190 VanDerWaalsContact CA-OD2 3.28Å; F186-D190 WeakPolarHBondContact CA-OD2 3.43Å; F186-D190 HydrophobicContact CB-CB 4.26Å; F186-Y193 HydrophobicContact CD1-CE1 4.22Å; F186-Y193 HydrophobicContact CD2-CD1 4.09Å; F186-Y193 AromaticContact CD2-CE1 3.98Å; F186-Y193 HydrophobicContact CD2-CE1 3.98Å; F186-Y193 AromaticContact CE1-CE1 3.93Å; F186-Y193 HydrophobicContact CE1-CE1 3.93Å; F186-Y193 HydrophobicContact CE2-CD1 4.16Å; F186-Y193 AromaticContact CE2-CE1 3.68Å; F186-Y193 HydrophobicContact CE2-CE1 3.68Å; F186-Y193 HydrophobicContact CG-CD1 4.44Å; F186-Y193 HydrophobicContact CG-CE1 4.28Å; F186-Y193 AromaticContact CZ-CE1 3.67Å; F186-Y193 HydrophobicContact CZ-CE1 3.67Å; F186-F197 HydrophobicContact CE2-CB 4.19Å; F186-F197 AromaticContact CE2-CD1 3.56Å; F186-F197 HydrophobicContact CE2-CD1 3.56Å; 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 3.73Å; F186-F197 HydrophobicContact CE2-CG 3.73Å; F186-F197 HydrophobicContact CE2-CZ 4.43Å; F186-F197 HydrophobicContact CZ-CD1 4.03Å; F186-F197 HydrophobicContact CZ-CD2 4.14Å; F186-F197 HydrophobicContact CZ-CE1 4Å; F186-F197 HydrophobicContact CZ-CE2 4.14Å; F186-F197 HydrophobicContact CZ-CG 4.11Å; F186-F197 HydrophobicContact CZ-CZ 4.07Å; F186-F198 HydrophobicContact CD2-CD2 4.5Å; F186-F198 AromaticContact CD2-CE2 3.67Å; F186-F198 HydrophobicContact CD2-CE2 3.67Å; F186-F198 HydrophobicContact CD2-CZ 4.36Å; F186-F198 HydrophobicContact CE2-CD2 4.45Å; F186-F198 AromaticContact CE2-CE2 3.74Å; F186-F198 HydrophobicContact CE2-CE2 3.74Å; F186-F198 HydrophobicContact CE2-CZ 4.22Å; F186-F198 WeakPolarHBondContact O-CE2 3.41Å; F186-F198 WeakPolarHBondContact O-CZ 3.34Å
187	T	98.6	Very high	98.2	Very high	62 Å²	62	53.1 Å²	53.1	38%	0.38	31%	0.307	S	S	.	.			trans	-129.8	171.9	-170.1	65.3	0	0	0	0	110.7	S189 D190 G194 F198	T187-S189 PolarHBondContact O-N 3.43Å; T187-S189 VanDerWaalsContact O-N 3.14Å; T187-S189 PolarHBondContact OG1-N 2.97Å; T187-S189 PolarHBondContact OG1-OG 3.04Å; T187-D190 PolarHBondContact N-OD2 2.95Å; T187-D190 PolarHBondContact O-N 3.26Å; T187-D190 PolarHBondContact OG1-OD2 2.82Å; T187-G194 WeakPolarHBondContact O-CA 3.38Å; T187-F198 VanDerWaalsContact CA-CE2 3.43Å
188	I	98.5	Very high	98.2	Very high	102 Å²	102	54.1 Å²	54.1	52%	0.523	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.6	175.5	-164.5	167.5	0	0	0	113	F198 V199	I188-F198 HydrophobicContact CB-CB 4.21Å; I188-F198 HydrophobicContact CB-CD2 4.17Å; I188-F198 HydrophobicContact CB-CG 4.34Å; I188-F198 HydrophobicContact CD1-CB 4.32Å; I188-F198 HydrophobicContact CG1-CB 4.17Å; I188-V199 HydrophobicContact CD1-CG2 4.33Å
189	S	98.4	Very high	98.3	Very high	99 Å²	99	53.8 Å²	53.8	69%	0.692	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7	177	42.5	0	0	0	0	114.6	T187 G191	T187-S189 PolarHBondContact O-N 3.43Å; T187-S189 VanDerWaalsContact O-N 3.14Å; T187-S189 PolarHBondContact OG1-N 2.97Å; T187-S189 PolarHBondContact OG1-OG 3.04Å; S189-G191 PolarHBondContact O-N 2.94Å
190	D	98.1	Very high	98.3	Very high	65 Å²	65	51.4 Å²	51.4	35%	0.348	29%	0.287	S	S	.	.	S	Bend	trans	-83.7	62.4	-177.3	-63.9	-41.6	0	0	0	112	I121 F186 T187 G194	I121-D190 HydrophobicContact CD1-CB 3.9Å; F186-D190 VanDerWaalsContact CA-OD2 3.28Å; F186-D190 WeakPolarHBondContact CA-OD2 3.43Å; F186-D190 HydrophobicContact CB-CB 4.26Å; T187-D190 PolarHBondContact N-OD2 2.95Å; T187-D190 PolarHBondContact O-N 3.26Å; T187-D190 PolarHBondContact OG1-OD2 2.82Å; D190-G194 PolarHBondContact O-N 3.3Å
191	G	97.4	Very high	98.3	Very high	43 Å²	43	50.9 Å²	50.9	44%	0.443	28%	0.284	S	S	.	.	H	α-helix	trans	60.7	-153.4	174.8	0	0	0	0	0	113.7	S189 Y193 S195	S189-G191 PolarHBondContact O-N 2.94Å; G191-Y193 VanDerWaalsContact C-N 3.32Å; G191-Y193 PolarHBondContact O-N 3.06Å; G191-S195 WeakPolarHBondContact O-CB 3.46Å; G191-S195 PolarHBondContact O-N 2.79Å; G191-S195 PolarHBondContact O-OG 3.36Å
192	I	98.3	Very high	98.3	Very high	59 Å²	59	49 Å²	49	30%	0.303	29%	0.285	S	S	.	.	H	α-helix	trans	-71.2	-27.4	-174.2	-166.8	58.5	0	0	0	112.8	S104 L112 W116 T196	S104-I192 WeakPolarHBondContact OG-CG1 3.5Å; L112-I192 HydrophobicContact CD1-CG2 3.71Å; L112-I192 HydrophobicContact CD2-CG2 3.99Å; W116-I192 HydrophobicContact CH2-CG2 4.07Å; W116-I192 HydrophobicContact CZ3-CG2 3.76Å; I192-T196 HydrophobicContact CD1-CG2 3.9Å; I192-T196 HydrophobicContact CG1-CG2 4.15Å; I192-T196 WeakPolarHBondContact O-CB 3.39Å; I192-T196 WeakPolarHBondContact O-CG2 3.41Å; I192-T196 PolarHBondContact O-N 3.06Å; I192-T196 PolarHBondContact O-OG1 3.31Å
193	Y	98.4	Very high	98.3	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-56.3	175.2	-176.5	-82.9	0	0	0	110.2	W116 P117 I121 P123 F186 G191 S195 T196 F197	W116-Y193 AromaticContact CE2-CD2 3.8Å; W116-Y193 HydrophobicContact CH2-CD2 4.07Å; W116-Y193 AromaticContact CZ2-CD2 3.44Å; W116-Y193 HydrophobicContact CZ2-CD2 3.44Å; W116-Y193 VanDerWaalsContact CZ2-CD2 3.44Å; W116-Y193 HydrophobicContact CZ2-CE2 4.18Å; W116-Y193 HydrophobicContact CZ2-CG 4.26Å; P117-Y193 HydrophobicContact CB-CD2 4.17Å; P117-Y193 HydrophobicContact CB-CE2 4.08Å; P117-Y193 HydrophobicContact CG-CE2 4.3Å; 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 4.22Å; I121-Y193 HydrophobicContact CG2-CE1 3.59Å; I121-Y193 HydrophobicContact CG2-CE2 4.27Å; I121-Y193 HydrophobicContact CG2-CG 3.89Å; P123-Y193 WeakPolarHBondContact CB-OH 3.44Å; F186-Y193 HydrophobicContact CD1-CE1 4.22Å; F186-Y193 HydrophobicContact CD2-CD1 4.09Å; F186-Y193 AromaticContact CD2-CE1 3.98Å; F186-Y193 HydrophobicContact CD2-CE1 3.98Å; F186-Y193 AromaticContact CE1-CE1 3.93Å; F186-Y193 HydrophobicContact CE1-CE1 3.93Å; F186-Y193 HydrophobicContact CE2-CD1 4.16Å; F186-Y193 AromaticContact CE2-CE1 3.68Å; F186-Y193 HydrophobicContact CE2-CE1 3.68Å; F186-Y193 HydrophobicContact CG-CD1 4.44Å; F186-Y193 HydrophobicContact CG-CE1 4.28Å; F186-Y193 AromaticContact CZ-CE1 3.67Å; F186-Y193 HydrophobicContact CZ-CE1 3.67Å; G191-Y193 VanDerWaalsContact C-N 3.32Å; G191-Y193 PolarHBondContact O-N 3.06Å; Y193-S195 VanDerWaalsContact C-N 3.33Å; Y193-S195 PolarHBondContact O-N 3.21Å; Y193-T196 PolarHBondContact O-N 3.42Å; Y193-T196 PolarHBondContact O-OG1 2.84Å; Y193-F197 VanDerWaalsContact O-CB 3.26Å; Y193-F197 WeakPolarHBondContact O-CB 3.42Å; Y193-F197 PolarHBondContact O-N 3.37Å
194	G	98.4	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-43.2	176.8	0	0	0	0	0	112.6	T187 D190 F197 F198	T187-G194 WeakPolarHBondContact O-CA 3.38Å; D190-G194 PolarHBondContact O-N 3.3Å; G194-F197 PolarHBondContact O-N 2.96Å; G194-F198 WeakPolarHBondContact O-CB 3.46Å; G194-F198 VanDerWaalsContact O-CD2 3.3Å; G194-F198 WeakPolarHBondContact O-CD2 3.46Å; G194-F198 PolarHBondContact O-N 3.16Å
195	S	98.4	Very high	98.4	Very high	49 Å²	49	37.5 Å²	37.5	34%	0.343	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-50.1	177.8	-62	0	0	0	0	112.6	G191 Y193 V199	G191-S195 WeakPolarHBondContact O-CB 3.46Å; G191-S195 PolarHBondContact O-N 2.79Å; G191-S195 PolarHBondContact O-OG 3.36Å; Y193-S195 VanDerWaalsContact C-N 3.33Å; Y193-S195 PolarHBondContact O-N 3.21Å; S195-V199 VanDerWaalsContact O-CB 3.28Å; S195-V199 WeakPolarHBondContact O-CB 3.46Å; S195-V199 VanDerWaalsContact O-CG2 3.22Å; S195-V199 WeakPolarHBondContact O-CG2 3.44Å; S195-V199 PolarHBondContact O-N 2.91Å
196	T	98.4	Very high	98.5	Very high	15 Å²	15	37.7 Å²	37.7	9%	0.092	23%	0.23	C	C	.	.	H	α-helix	trans	-70.5	-37	-178.3	52.4	0	0	0	0	112	F101 I192 Y193 A200	F101-T196 HydrophobicContact CB-CG2 4.48Å; I192-T196 HydrophobicContact CD1-CG2 3.9Å; I192-T196 HydrophobicContact CG1-CG2 4.15Å; I192-T196 WeakPolarHBondContact O-CB 3.39Å; I192-T196 WeakPolarHBondContact O-CG2 3.41Å; I192-T196 PolarHBondContact O-N 3.06Å; I192-T196 PolarHBondContact O-OG1 3.31Å; Y193-T196 PolarHBondContact O-N 3.42Å; Y193-T196 PolarHBondContact O-OG1 2.84Å; T196-A200 WeakPolarHBondContact O-CB 3.41Å; T196-A200 PolarHBondContact O-N 3.49Å
197	F	98.7	Very high	98.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-67.2	173.9	-176.8	-87.8	0	0	0	111.1	L124 Y181 F186 Y193 G194 V199 A200 T201 I256 Y257	L124-F197 HydrophobicContact CD1-CE2 4.46Å; L124-F197 HydrophobicContact CD1-CZ 3.9Å; Y181-F197 HydrophobicContact CE1-CE1 4.08Å; F186-F197 HydrophobicContact CE2-CB 4.19Å; F186-F197 AromaticContact CE2-CD1 3.56Å; F186-F197 HydrophobicContact CE2-CD1 3.56Å; 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 3.73Å; F186-F197 HydrophobicContact CE2-CG 3.73Å; F186-F197 HydrophobicContact CE2-CZ 4.43Å; F186-F197 HydrophobicContact CZ-CD1 4.03Å; F186-F197 HydrophobicContact CZ-CD2 4.14Å; F186-F197 HydrophobicContact CZ-CE1 4Å; F186-F197 HydrophobicContact CZ-CE2 4.14Å; F186-F197 HydrophobicContact CZ-CG 4.11Å; F186-F197 HydrophobicContact CZ-CZ 4.07Å; Y193-F197 VanDerWaalsContact O-CB 3.26Å; Y193-F197 WeakPolarHBondContact O-CB 3.42Å; Y193-F197 PolarHBondContact O-N 3.37Å; G194-F197 PolarHBondContact O-N 2.96Å; F197-V199 VanDerWaalsContact C-N 3.34Å; F197-V199 PolarHBondContact O-N 3.22Å; F197-A200 PolarHBondContact O-N 2.87Å; F197-T201 HydrophobicContact CE2-CG2 4.45Å; F197-T201 PolarHBondContact O-N 2.85Å; F197-T201 PolarHBondContact O-OG1 2.85Å; F197-I256 HydrophobicContact CD2-CG2 3.57Å; F197-I256 HydrophobicContact CE2-CG2 4.25Å; F197-I256 HydrophobicContact CG-CG2 4.49Å; F197-Y257 HydrophobicContact CE2-CD1 4.17Å; F197-Y257 AromaticContact CE2-CE1 3.63Å; F197-Y257 HydrophobicContact CE2-CE1 3.63Å; F197-Y257 HydrophobicContact CE2-CE2 4.09Å; F197-Y257 AromaticContact CE2-CZ 3.59Å; F197-Y257 AromaticContact CZ-CE1 3.73Å; F197-Y257 HydrophobicContact CZ-CE1 3.73Å; F197-Y257 HydrophobicContact CZ-CE2 4.45Å; F197-Y257 AromaticContact CZ-CZ 3.61Å; F197-Y257 WeakPolarHBondContact CZ-OH 3.28Å
198	F	98.7	Very high	98.5	Very high	30 Å²	30	35.1 Å²	35.1	13%	0.132	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-31.2	-169.5	-78.4	-74.5	0	0	0	113.7	Y181 F186 T187 I188 G194 G202	Y181-F198 HydrophobicContact CD1-CD1 4.21Å; Y181-F198 AromaticContact CD1-CE1 3.77Å; Y181-F198 HydrophobicContact CD1-CE1 3.77Å; Y181-F198 HydrophobicContact CD2-CD1 4.3Å; Y181-F198 HydrophobicContact CD2-CE1 4.27Å; Y181-F198 HydrophobicContact CE1-CD1 4.16Å; Y181-F198 HydrophobicContact CE1-CE1 4.15Å; Y181-F198 HydrophobicContact CE2-CD1 4.27Å; 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 4.5Å; F186-F198 AromaticContact CD2-CE2 3.67Å; F186-F198 HydrophobicContact CD2-CE2 3.67Å; F186-F198 HydrophobicContact CD2-CZ 4.36Å; F186-F198 HydrophobicContact CE2-CD2 4.45Å; F186-F198 AromaticContact CE2-CE2 3.74Å; F186-F198 HydrophobicContact CE2-CE2 3.74Å; F186-F198 HydrophobicContact CE2-CZ 4.22Å; F186-F198 WeakPolarHBondContact O-CE2 3.41Å; F186-F198 WeakPolarHBondContact O-CZ 3.34Å; T187-F198 VanDerWaalsContact CA-CE2 3.43Å; I188-F198 HydrophobicContact CB-CB 4.21Å; I188-F198 HydrophobicContact CB-CD2 4.17Å; I188-F198 HydrophobicContact CB-CG 4.34Å; I188-F198 HydrophobicContact CD1-CB 4.32Å; I188-F198 HydrophobicContact CG1-CB 4.17Å; G194-F198 WeakPolarHBondContact O-CB 3.46Å; G194-F198 VanDerWaalsContact O-CD2 3.3Å; G194-F198 WeakPolarHBondContact O-CD2 3.46Å; G194-F198 PolarHBondContact O-N 3.16Å; F198-G202 WeakPolarHBondContact O-CA 3.29Å; F198-G202 PolarHBondContact O-N 2.9Å
199	V	98.7	Very high	98.5	Very high	50 Å²	50	34.1 Å²	34.1	30%	0.303	21%	0.209	S	C	.	.	H	α-helix	trans	-72.4	-47.3	176.3	176	0	0	0	0	110.4	F97 I188 S195 F197 F203	F97-V199 HydrophobicContact CD1-CG1 3.94Å; F97-V199 HydrophobicContact CE1-CG1 3.49Å; F97-V199 VanDerWaalsContact CE1-CG1 3.49Å; F97-V199 HydrophobicContact CZ-CG1 3.94Å; I188-V199 HydrophobicContact CD1-CG2 4.33Å; S195-V199 VanDerWaalsContact O-CB 3.28Å; S195-V199 WeakPolarHBondContact O-CB 3.46Å; S195-V199 VanDerWaalsContact O-CG2 3.22Å; S195-V199 WeakPolarHBondContact O-CG2 3.44Å; S195-V199 PolarHBondContact O-N 2.91Å; F197-V199 VanDerWaalsContact C-N 3.34Å; F197-V199 PolarHBondContact O-N 3.22Å; V199-F203 HydrophobicContact CG1-CD2 3.82Å; V199-F203 HydrophobicContact CG1-CE2 4.01Å; V199-F203 WeakPolarHBondContact O-CB 3.47Å; V199-F203 WeakPolarHBondContact O-CD2 3.26Å; V199-F203 PolarHBondContact O-N 3.36Å
200	A	98.6	Very high	98.5	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-50.3	-178.1	0	0	0	0	0	111.9	F97 T196 F197 H204 L252 I256	F97-A200 HydrophobicContact CB-CB 4.07Å; T196-A200 WeakPolarHBondContact O-CB 3.41Å; T196-A200 PolarHBondContact O-N 3.49Å; F197-A200 PolarHBondContact O-N 2.87Å; A200-H204 PolarHBondContact O-N 3.43Å; A200-H204 VanDerWaalsContact O-N 3.14Å; A200-L252 HydrophobicContact CB-CD2 3.85Å; A200-I256 HydrophobicContact CB-CD1 3.83Å
201	T	98.6	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-71.6	-32	178.5	62.3	0	0	0	0	111.5	Y181 F197 H204 G205 Y257	Y181-T201 VanDerWaalsContact OH-CB 3.26Å; Y181-T201 WeakPolarHBondContact OH-CB 3.42Å; Y181-T201 PolarHBondContact OH-O 3.17Å; Y181-T201 PolarHBondContact OH-OG1 2.99Å; F197-T201 HydrophobicContact CE2-CG2 4.45Å; F197-T201 PolarHBondContact O-N 2.85Å; F197-T201 PolarHBondContact O-OG1 2.85Å; T201-H204 PolarHBondContact O-N 3.29Å; T201-G205 PolarHBondContact O-N 2.9Å; T201-Y257 HydrophobicContact CG2-CE2 3.72Å
202	G	98.6	Very high	98.6	Very high	27 Å²	27	28.4 Å²	28.4	28%	0.278	16%	0.16	S	C	.	.	H	α-helix	trans	-67	-44.8	176.7	0	0	0	0	0	112.9	Y181 F198 H204 G205 L206	Y181-G202 WeakPolarHBondContact OH-CA 3.43Å; Y181-G202 PolarHBondContact OH-N 3.48Å; Y181-G202 VanDerWaalsContact OH-N 3.09Å; F198-G202 WeakPolarHBondContact O-CA 3.29Å; F198-G202 PolarHBondContact O-N 2.9Å; G202-H204 VanDerWaalsContact C-N 3.33Å; G202-G205 PolarHBondContact O-N 3.47Å; G202-L206 PolarHBondContact O-N 2.95Å
203	F	98.8	Very high	98.6	Very high	79 Å²	79	29.4 Å²	29.4	35%	0.346	17%	0.169	S	C	.	.	H	α-helix	trans	-63.8	-39.7	172.6	-91.7	-71.5	0	0	0	111.6	F93 F94 F97 V199 L206 H207	F93-F203 HydrophobicContact CE1-CB 4.36Å; F93-F203 AromaticContact CE1-CD1 3.71Å; F93-F203 HydrophobicContact CE1-CD1 3.71Å; F93-F203 HydrophobicContact CE1-CE1 4.1Å; F93-F203 AromaticContact CE1-CG 3.96Å; F93-F203 HydrophobicContact CE1-CG 3.96Å; F93-F203 AromaticContact CZ-CD1 3.75Å; F93-F203 HydrophobicContact CZ-CD1 3.75Å; F93-F203 HydrophobicContact CZ-CD2 4.24Å; F93-F203 AromaticContact CZ-CE1 3.7Å; F93-F203 HydrophobicContact CZ-CE1 3.7Å; F93-F203 HydrophobicContact CZ-CE2 4.19Å; F93-F203 HydrophobicContact CZ-CG 4.04Å; F93-F203 AromaticContact CZ-CZ 3.92Å; F93-F203 HydrophobicContact CZ-CZ 3.92Å; F94-F203 HydrophobicContact CE1-CB 4.26Å; F94-F203 HydrophobicContact CZ-CB 4.21Å; F97-F203 HydrophobicContact CE1-CD2 4.31Å; F97-F203 HydrophobicContact CE1-CE2 4.46Å; F97-F203 HydrophobicContact CE2-CB 3.98Å; F97-F203 AromaticContact CE2-CD2 3.6Å; F97-F203 HydrophobicContact CE2-CD2 3.6Å; F97-F203 HydrophobicContact CE2-CE2 4.29Å; F97-F203 AromaticContact CE2-CG 3.87Å; F97-F203 HydrophobicContact CE2-CG 3.87Å; F97-F203 AromaticContact CZ-CD2 3.37Å; F97-F203 HydrophobicContact CZ-CD2 3.37Å; F97-F203 AromaticContact CZ-CE2 3.64Å; F97-F203 HydrophobicContact CZ-CE2 3.64Å; F97-F203 HydrophobicContact CZ-CG 4.07Å; V199-F203 HydrophobicContact CG1-CD2 3.82Å; V199-F203 HydrophobicContact CG1-CE2 4.01Å; V199-F203 WeakPolarHBondContact O-CB 3.47Å; V199-F203 WeakPolarHBondContact O-CD2 3.26Å; V199-F203 PolarHBondContact O-N 3.36Å; F203-L206 HydrophobicContact CD1-CD2 4.29Å; F203-L206 HydrophobicContact CE1-CD2 4.45Å; F203-L206 WeakPolarHBondContact O-CB 3.37Å; F203-L206 PolarHBondContact O-N 3.49Å; F203-H207 PolarHBondContact O-N 3.31Å; F203-H207 PolarHBondContact O-ND1 3.04Å
204	H	98.8	Very high	98.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-46.6	172.3	174.6	-85.8	0	0	0	112.2	F94 F173 A200 T201 G202 L206 H207 V208 V245 W249 L252	F94-H204 HydrophobicContact CE1-CB 3.98Å; F94-H204 HydrophobicContact CZ-CB 4.15Å; F173-H204 AromaticContact CZ-CE1 3.7Å; F173-H204 AromaticContact CZ-ND1 3.93Å; A200-H204 PolarHBondContact O-N 3.43Å; A200-H204 VanDerWaalsContact O-N 3.14Å; T201-H204 PolarHBondContact O-N 3.29Å; G202-H204 VanDerWaalsContact C-N 3.33Å; H204-L206 VanDerWaalsContact C-N 3.3Å; H204-L206 PolarHBondContact O-N 3.4Å; H204-H207 CarbonylContact O-C 3.6Å; H204-H207 WeakPolarHBondContact O-CA 3.24Å; H204-H207 WeakPolarHBondContact O-CB 3.26Å; H204-H207 PolarHBondContact O-N 3.09Å; H204-V208 WeakPolarHBondContact CE1-CG2 3.35Å; H204-V208 WeakPolarHBondContact O-CG2 3.48Å; H204-V208 PolarHBondContact O-N 2.87Å; H204-V245 PolarHBondContact NE2-O 3.36Å; H204-W249 AromaticContact CE1-CE3 3.64Å; H204-W249 AromaticContact ND1-CE3 3.74Å; H204-W249 WeakPolarHBondContact NE2-CB 3.43Å; H204-L252 HydrophobicContact CB-CD1 3.43Å; H204-L252 VanDerWaalsContact CB-CD1 3.43Å
205	G	98.6	Very high	98.7	Very high	13 Å²	13	32.3 Å²	32.3	13%	0.134	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-41	175.4	0	0	0	0	0	112.9	T201 G202 H207 V208 I209	T201-G205 PolarHBondContact O-N 2.9Å; G202-G205 PolarHBondContact O-N 3.47Å; G205-H207 VanDerWaalsContact C-N 3.31Å; G205-H207 PolarHBondContact O-N 2.84Å; G205-V208 PolarHBondContact O-N 3.29Å; G205-I209 WeakPolarHBondContact O-CG1 3.4Å; G205-I209 PolarHBondContact O-N 3.43Å
206	L	98.6	Very high	98.7	Very high	86 Å²	86	32.5 Å²	32.5	45%	0.45	18%	0.181	S	C	.	.	H	α-helix	trans	-58.6	-43	171.4	178.7	65.8	0	0	0	111.6	G202 F203 H204 I209 I210	G202-L206 PolarHBondContact O-N 2.95Å; F203-L206 HydrophobicContact CD1-CD2 4.29Å; F203-L206 HydrophobicContact CE1-CD2 4.45Å; F203-L206 WeakPolarHBondContact O-CB 3.37Å; F203-L206 PolarHBondContact O-N 3.49Å; H204-L206 VanDerWaalsContact C-N 3.3Å; H204-L206 PolarHBondContact O-N 3.4Å; L206-I209 PolarHBondContact O-N 3.03Å; L206-I210 HydrophobicContact CD1-CD1 4.39Å; L206-I210 HydrophobicContact CG-CD1 4.03Å; L206-I210 WeakPolarHBondContact O-CG1 3.49Å; L206-I210 PolarHBondContact O-N 3.32Å
207	H	98.8	Very high	98.7	Very high	11 Å²	11	35.9 Å²	35.9	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-36.9	177.3	-73.5	71.1	0	0	0	112.4	E90 F94 F203 H204 G205 I209 I210 G211 Y241 F244 V245	E90-H207 IonicContact OE2-CE1 3.75Å; E90-H207 IonicContact OE2-NE2 2.95Å; E90-H207 PolarHBondContact OE2-NE2 2.82Å; F94-H207 AromaticContact CE2-CE1 3.71Å; F94-H207 AromaticContact CE2-ND1 3.85Å; F94-H207 AromaticContact CE2-NE2 3.9Å; F94-H207 AromaticContact CZ-CE1 3.98Å; F94-H207 AromaticContact CZ-ND1 3.76Å; F203-H207 PolarHBondContact O-N 3.31Å; F203-H207 PolarHBondContact O-ND1 3.04Å; H204-H207 CarbonylContact O-C 3.6Å; H204-H207 WeakPolarHBondContact O-CA 3.24Å; H204-H207 WeakPolarHBondContact O-CB 3.26Å; H204-H207 PolarHBondContact O-N 3.09Å; G205-H207 VanDerWaalsContact C-N 3.31Å; G205-H207 PolarHBondContact O-N 2.84Å; H207-I209 VanDerWaalsContact C-N 3.33Å; H207-I209 PolarHBondContact O-N 3.49Å; H207-I210 PolarHBondContact O-N 2.88Å; H207-G211 PolarHBondContact O-N 2.83Å; H207-Y241 AromaticContact CD2-CZ 3.85Å; H207-Y241 PolarHBondContact CD2-OH 3.25Å; H207-Y241 WeakPolarHBondContact O-CE1 3.35Å; H207-F244 AromaticContact CD2-CE1 3.74Å; H207-V245 HydrophobicContact CB-CG2 4.02Å
208	V	98.8	Very high	98.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-42.5	172.7	178.7	0	0	0	0	110.9	F173 H204 G205 G211 S212 W242 V245	F173-V208 HydrophobicContact CD1-CB 4.39Å; F173-V208 HydrophobicContact CD1-CG1 3.87Å; F173-V208 HydrophobicContact CD1-CG2 4.03Å; F173-V208 HydrophobicContact CE1-CB 4.41Å; F173-V208 HydrophobicContact CE1-CG1 4.37Å; F173-V208 HydrophobicContact CE1-CG2 3.72Å; F173-V208 HydrophobicContact CZ-CG2 4.45Å; H204-V208 WeakPolarHBondContact CE1-CG2 3.35Å; H204-V208 WeakPolarHBondContact O-CG2 3.48Å; H204-V208 PolarHBondContact O-N 2.87Å; G205-V208 PolarHBondContact O-N 3.29Å; V208-G211 PolarHBondContact O-N 3.07Å; V208-S212 VanDerWaalsContact O-CB 3.3Å; V208-S212 WeakPolarHBondContact O-CB 3.48Å; V208-S212 PolarHBondContact O-N 3.49Å; V208-S212 PolarHBondContact O-OG 3.07Å; V208-W242 HydrophobicContact CG1-CH2 4.17Å; V208-V245 HydrophobicContact CB-CG1 4.27Å; V208-V245 HydrophobicContact CG2-CG1 3.36Å
209	I	98.8	Very high	98.7	Very high	81 Å²	81	36 Å²	36	42%	0.415	20%	0.198	S	C	.	.	H	α-helix	trans	-65.4	-43.6	177.4	-66	166.8	0	0	0	111.1	T174 G205 L206 H207 S212 T213	T174-I209 HydrophobicContact CG2-CD1 4.2Å; T174-I209 HydrophobicContact CG2-CG1 4Å; G205-I209 WeakPolarHBondContact O-CG1 3.4Å; G205-I209 PolarHBondContact O-N 3.43Å; L206-I209 PolarHBondContact O-N 3.03Å; H207-I209 VanDerWaalsContact C-N 3.33Å; H207-I209 PolarHBondContact O-N 3.49Å; I209-S212 PolarHBondContact O-N 2.96Å; I209-T213 WeakPolarHBondContact O-CB 3.36Å; I209-T213 PolarHBondContact O-N 2.93Å; I209-T213 PolarHBondContact O-OG1 3.33Å
210	I	98.8	Very high	98.7	Very high	79 Å²	79	37.3 Å²	37.3	41%	0.405	20%	0.203	S	C	.	.	H	α-helix	trans	-61	-47.3	175.6	-68.8	167	0	0	0	110.3	L206 H207 T213 F214 Y241	L206-I210 HydrophobicContact CD1-CD1 4.39Å; L206-I210 HydrophobicContact CG-CD1 4.03Å; L206-I210 WeakPolarHBondContact O-CG1 3.49Å; L206-I210 PolarHBondContact O-N 3.32Å; H207-I210 PolarHBondContact O-N 2.88Å; I210-T213 PolarHBondContact O-N 2.92Å; I210-F214 PolarHBondContact O-N 2.91Å; I210-Y241 HydrophobicContact CB-CE1 4.37Å; I210-Y241 HydrophobicContact CG2-CE1 4.04Å
211	G	98.7	Very high	98.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-44.5	178.5	0	0	0	0	0	112.3	H207 V208 T213 F214 L215	H207-G211 PolarHBondContact O-N 2.83Å; V208-G211 PolarHBondContact O-N 3.07Å; G211-T213 VanDerWaalsContact C-N 3.32Å; G211-T213 PolarHBondContact O-N 3.03Å; G211-F214 WeakPolarHBondContact O-CB 3.47Å; G211-F214 PolarHBondContact O-N 2.98Å; G211-F214 VanDerWaalsContact O-N 3.14Å; G211-L215 WeakPolarHBondContact O-CG 3.49Å; G211-L215 PolarHBondContact O-N 3.47Å
212	S	98.7	Very high	98.7	Very high	7 Å²	7	39.1 Å²	39.1	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-39.4	178.4	-60	0	0	0	0	111.4	V208 I209 L215 T216 W242	V208-S212 VanDerWaalsContact O-CB 3.3Å; V208-S212 WeakPolarHBondContact O-CB 3.48Å; V208-S212 PolarHBondContact O-N 3.49Å; V208-S212 PolarHBondContact O-OG 3.07Å; I209-S212 PolarHBondContact O-N 2.96Å; S212-L215 PolarHBondContact O-N 2.94Å; S212-T216 WeakPolarHBondContact O-CB 3.43Å; S212-T216 PolarHBondContact O-N 3.42Å; S212-T216 PolarHBondContact O-OG1 3.41Å; S212-W242 WeakPolarHBondContact OG-CH2 3.44Å; S212-W242 WeakPolarHBondContact OG-CZ3 3.36Å
213	T	98.8	Very high	98.7	Very high	80 Å²	80	41.5 Å²	41.5	49%	0.491	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-44.6	173.2	-56.2	0	0	0	0	110.8	I209 I210 G211 L215 T216 I217	I209-T213 WeakPolarHBondContact O-CB 3.36Å; I209-T213 PolarHBondContact O-N 2.93Å; I209-T213 PolarHBondContact O-OG1 3.33Å; I210-T213 PolarHBondContact O-N 2.92Å; G211-T213 VanDerWaalsContact C-N 3.32Å; G211-T213 PolarHBondContact O-N 3.03Å; T213-L215 PolarHBondContact O-N 3.02Å; T213-T216 WeakPolarHBondContact O-CB 3.37Å; T213-T216 PolarHBondContact O-N 3.23Å; T213-I217 WeakPolarHBondContact O-CG1 3.18Å; T213-I217 PolarHBondContact O-N 3.23Å
214	F	98.8	Very high	98.7	Very high	64 Å²	64	42.5 Å²	42.5	28%	0.281	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-42.5	178.8	-165.9	-175.8	0	0	0	112	I210 G211 T216 I217 C218 G234 A237 A238	I210-F214 PolarHBondContact O-N 2.91Å; G211-F214 WeakPolarHBondContact O-CB 3.47Å; G211-F214 PolarHBondContact O-N 2.98Å; G211-F214 VanDerWaalsContact O-N 3.14Å; F214-T216 VanDerWaalsContact C-N 3.34Å; F214-T216 PolarHBondContact O-N 3.34Å; F214-I217 PolarHBondContact O-N 3.4Å; F214-C218 PolarHBondContact O-N 3Å; F214-C218 PolarHBondContact O-SG 2.92Å; F214-C218 VanDerWaalsContact O-SG 3.36Å; F214-G234 WeakPolarHBondContact CZ-O 3.39Å; F214-A237 HydrophobicContact CE1-CB 4.19Å; F214-A237 HydrophobicContact CZ-CB 4.05Å; F214-A238 HydrophobicContact CB-CB 4.49Å; F214-A238 HydrophobicContact CD1-CB 3.75Å; F214-A238 HydrophobicContact CD2-CB 3.99Å; F214-A238 HydrophobicContact CE1-CB 3.88Å; F214-A238 HydrophobicContact CE2-CB 4.09Å; F214-A238 HydrophobicContact CG-CB 3.81Å; F214-A238 HydrophobicContact CZ-CB 4.04Å
215	L	98.8	Very high	98.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-39.5	173	-68.4	177.6	0	0	0	112.1	I144 L163 T166 I167 G211 S212 T213 I217 C218 F219 A238 W242	I144-L215 HydrophobicContact CD1-CD1 4.22Å; I144-L215 HydrophobicContact CD1-CD2 3.48Å; I144-L215 VanDerWaalsContact CD1-CD2 3.48Å; I144-L215 HydrophobicContact CD1-CG 4.5Å; I144-L215 HydrophobicContact CG1-CD2 4.5Å; L163-L215 HydrophobicContact CD1-CB 4.21Å; L163-L215 HydrophobicContact CD1-CD2 4Å; T166-L215 HydrophobicContact CG2-CD1 3.74Å; I167-L215 HydrophobicContact CD1-CB 4.31Å; I167-L215 HydrophobicContact CG1-CB 3.81Å; G211-L215 WeakPolarHBondContact O-CG 3.49Å; G211-L215 PolarHBondContact O-N 3.47Å; S212-L215 PolarHBondContact O-N 2.94Å; T213-L215 PolarHBondContact O-N 3.02Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 3.49Å; L215-C218 CarbonylContact O-C 3.55Å; L215-C218 WeakPolarHBondContact O-CA 3.36Å; L215-C218 WeakPolarHBondContact O-CB 3.38Å; L215-C218 PolarHBondContact O-N 3.43Å; L215-C218 VanDerWaalsContact O-N 3.11Å; L215-F219 PolarHBondContact O-N 3.29Å; L215-A238 HydrophobicContact CD2-CB 3.85Å; L215-W242 HydrophobicContact CD1-CD2 3.54Å; L215-W242 HydrophobicContact CD1-CE3 3.5Å; L215-W242 HydrophobicContact CD1-CG 4.03Å; L215-W242 HydrophobicContact CD1-CH2 4.4Å; L215-W242 HydrophobicContact CD1-CZ2 4.43Å; L215-W242 HydrophobicContact CD1-CZ3 3.97Å; L215-W242 HydrophobicContact CG-CE3 4.33Å
216	T	98.8	Very high	98.7	Very high	52 Å²	52	49.8 Å²	49.8	32%	0.319	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-41.5	174.7	-58.6	0	0	0	0	111.4	S212 T213 F214 C218 F219 I220	S212-T216 WeakPolarHBondContact O-CB 3.43Å; S212-T216 PolarHBondContact O-N 3.42Å; S212-T216 PolarHBondContact O-OG1 3.41Å; T213-T216 WeakPolarHBondContact O-CB 3.37Å; T213-T216 PolarHBondContact O-N 3.23Å; F214-T216 VanDerWaalsContact C-N 3.34Å; F214-T216 PolarHBondContact O-N 3.34Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 3.3Å; T216-F219 WeakPolarHBondContact O-CB 3.26Å; T216-F219 PolarHBondContact O-N 2.73Å; T216-I220 HydrophobicContact CG2-CD1 4.27Å; T216-I220 WeakPolarHBondContact O-CG1 3.35Å; T216-I220 PolarHBondContact O-N 3.35Å
217	I	98.8	Very high	98.7	Very high	86 Å²	86	46.5 Å²	46.5	44%	0.441	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-41.3	172.4	-63.9	-57.3	0	0	0	111.2	T213 F214 L215 F219 I220 R221	T213-I217 WeakPolarHBondContact O-CG1 3.18Å; T213-I217 PolarHBondContact O-N 3.23Å; F214-I217 PolarHBondContact O-N 3.4Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 3.49Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.21Å; I217-I220 HydrophobicContact CD1-CD1 4.48Å; I217-I220 PolarHBondContact O-N 2.94Å; I217-R221 HydrophobicContact CG2-CG 4.38Å; I217-R221 WeakPolarHBondContact O-CB 3.34Å; I217-R221 VanDerWaalsContact O-CG 3.26Å; I217-R221 WeakPolarHBondContact O-CG 3.22Å; I217-R221 PolarHBondContact O-N 3.28Å
218	C	98.8	Very high	98.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-39.3	173.9	-67.1	0	0	0	0	112	L163 F214 L215 T216 R221 Q222 F227 F235	L163-C218 HydrophobicContact CD2-CB 4.35Å; F214-C218 PolarHBondContact O-N 3Å; F214-C218 PolarHBondContact O-SG 2.92Å; F214-C218 VanDerWaalsContact O-SG 3.36Å; L215-C218 CarbonylContact O-C 3.55Å; L215-C218 WeakPolarHBondContact O-CA 3.36Å; L215-C218 WeakPolarHBondContact O-CB 3.38Å; L215-C218 PolarHBondContact O-N 3.43Å; L215-C218 VanDerWaalsContact O-N 3.11Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 3.3Å; C218-R221 PolarHBondContact O-N 3.35Å; C218-Q222 WeakPolarHBondContact O-CB 3.35Å; C218-Q222 PolarHBondContact O-N 3.49Å; C218-F227 HydrophobicContact CB-CE2 4.08Å; C218-F227 HydrophobicContact CB-CZ 4.21Å; C218-F227 WeakPolarHBondContact O-CE2 3.34Å; C218-F235 HydrophobicContact CB-CD2 4.29Å
219	F	98.8	Very high	98.6	Very high	36 Å²	36	51.6 Å²	51.6	16%	0.158	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-49.9	176.6	-179.1	-98.3	0	0	0	111.6	I160 L163 L164 I167 L215 T216 I217 R221 Q222 L223	I160-F219 HydrophobicContact CB-CE2 4.48Å; I160-F219 HydrophobicContact CG2-CE2 3.62Å; I160-F219 HydrophobicContact CG2-CZ 4.06Å; L163-F219 HydrophobicContact CB-CD2 4.36Å; L163-F219 HydrophobicContact CD2-CB 3.8Å; L163-F219 HydrophobicContact CD2-CD2 4.15Å; L163-F219 HydrophobicContact CG-CB 4.17Å; L163-F219 HydrophobicContact CG-CD2 4.12Å; L164-F219 HydrophobicContact CB-CE2 3.94Å; L164-F219 HydrophobicContact CB-CZ 4.5Å; L164-F219 HydrophobicContact CD1-CZ 4.38Å; I167-F219 HydrophobicContact CD1-CB 3.76Å; I167-F219 HydrophobicContact CD1-CD2 4.45Å; I167-F219 HydrophobicContact CD1-CG 4.17Å; L215-F219 PolarHBondContact O-N 3.29Å; T216-F219 WeakPolarHBondContact O-CB 3.26Å; T216-F219 PolarHBondContact O-N 2.73Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.21Å; F219-R221 VanDerWaalsContact C-N 3.32Å; F219-R221 PolarHBondContact O-N 2.86Å; F219-Q222 WeakPolarHBondContact O-CB 3.16Å; F219-Q222 PolarHBondContact O-N 2.94Å; F219-Q222 VanDerWaalsContact O-N 3.16Å; F219-L223 HydrophobicContact CD1-CD1 3.95Å; F219-L223 HydrophobicContact CD1-CG 4.43Å; F219-L223 HydrophobicContact CE1-CD1 3.5Å; F219-L223 VanDerWaalsContact CE1-CD1 3.5Å; F219-L223 HydrophobicContact CE1-CG 4.17Å; F219-L223 HydrophobicContact CZ-CD1 4.07Å; F219-L223 HydrophobicContact CZ-CD2 4.48Å; F219-L223 HydrophobicContact CZ-CG 4.42Å; F219-L223 WeakPolarHBondContact O-CG 3.45Å; F219-L223 PolarHBondContact O-N 2.95Å
220	I	98.8	Very high	98.5	Very high	77 Å²	77	56.4 Å²	56.4	40%	0.395	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-43.3	176.4	-61.2	166.8	0	0	0	110.3	T216 I217 Q222 L223 M224	T216-I220 HydrophobicContact CG2-CD1 4.27Å; T216-I220 WeakPolarHBondContact O-CG1 3.35Å; T216-I220 PolarHBondContact O-N 3.35Å; I217-I220 HydrophobicContact CD1-CD1 4.48Å; I217-I220 PolarHBondContact O-N 2.94Å; I220-Q222 VanDerWaalsContact C-N 3.34Å; I220-Q222 PolarHBondContact O-N 3.09Å; I220-L223 WeakPolarHBondContact O-CB 3.48Å; I220-L223 PolarHBondContact O-N 3.43Å; I220-M224 HydrophobicContact CG2-CE 3.87Å; I220-M224 WeakPolarHBondContact O-CG 3.41Å; I220-M224 PolarHBondContact O-N 3.28Å
221	R	98.7	Very high	98.4	Very high	30 Å²	30	55.3 Å²	55.3	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-37.7	176.7	-74.7	-178	68.4	-165.3	7.1	112.7	I217 C218 F219 M224 F225 H226 F227	I217-R221 HydrophobicContact CG2-CG 4.38Å; I217-R221 WeakPolarHBondContact O-CB 3.34Å; I217-R221 VanDerWaalsContact O-CG 3.26Å; I217-R221 WeakPolarHBondContact O-CG 3.22Å; I217-R221 PolarHBondContact O-N 3.28Å; C218-R221 PolarHBondContact O-N 3.35Å; F219-R221 VanDerWaalsContact C-N 3.32Å; F219-R221 PolarHBondContact O-N 2.86Å; R221-M224 CarbonylContact O-C 3.59Å; R221-M224 PolarHBondContact O-N 2.88Å; R221-F225 PolarHBondContact O-N 3.08Å; R221-H226 HydrophobicContact CB-CB 4.08Å; R221-H226 WeakPolarHBondContact O-CB 3.32Å; R221-H226 PolarHBondContact O-N 3.42Å; R221-F227 HydrophobicContact CB-CE2 3.99Å; R221-F227 HydrophobicContact CB-CZ 4.05Å
222	Q	98.4	Very high	98.4	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-45.9	172.9	176.9	69.4	-3.4	0	0	110.8	R156 M159 I160 C218 F219 I220 M224 F225 F227	R156-Q222 PolarHBondContact NH1-O 2.88Å; R156-Q222 PolarHBondContact NH2-O 2.72Å; M159-Q222 HydrophobicContact CE-CB 4Å; M159-Q222 HydrophobicContact CE-CG 4Å; M159-Q222 HydrophobicContact SD-CB 3.95Å; M159-Q222 VanDerWaalsContact SD-CD 3.57Å; M159-Q222 HydrophobicContact SD-CG 3.38Å; M159-Q222 WeakPolarHBondContact SD-CG 3.47Å; I160-Q222 HydrophobicContact CD1-CG 4.43Å; I160-Q222 HydrophobicContact CG1-CG 3.81Å; C218-Q222 WeakPolarHBondContact O-CB 3.35Å; C218-Q222 PolarHBondContact O-N 3.49Å; F219-Q222 WeakPolarHBondContact O-CB 3.16Å; F219-Q222 PolarHBondContact O-N 2.94Å; F219-Q222 VanDerWaalsContact O-N 3.16Å; I220-Q222 VanDerWaalsContact C-N 3.34Å; I220-Q222 PolarHBondContact O-N 3.09Å; Q222-M224 PolarHBondContact O-N 3.27Å; Q222-F225 PolarHBondContact O-N 2.84Å; Q222-F227 HydrophobicContact CB-CD2 4.17Å
223	L	98.5	Very high	98.4	Very high	77 Å²	77	56.4 Å²	56.4	40%	0.403	28%	0.281	S	S	.	.	H	α-helix	trans	-57.2	-36.1	176.9	-68.2	179.9	0	0	0	111.6	R156 I160 F219 I220 F225	R156-L223 PolarHBondContact NH2-O 3.35Å; I160-L223 HydrophobicContact CD1-CD2 3.77Å; I160-L223 HydrophobicContact CG1-CD2 4.24Å; I160-L223 HydrophobicContact CG2-CD2 4.3Å; F219-L223 HydrophobicContact CD1-CD1 3.95Å; F219-L223 HydrophobicContact CD1-CG 4.43Å; F219-L223 HydrophobicContact CE1-CD1 3.5Å; F219-L223 VanDerWaalsContact CE1-CD1 3.5Å; F219-L223 HydrophobicContact CE1-CG 4.17Å; F219-L223 HydrophobicContact CZ-CD1 4.07Å; F219-L223 HydrophobicContact CZ-CD2 4.48Å; F219-L223 HydrophobicContact CZ-CG 4.42Å; F219-L223 WeakPolarHBondContact O-CG 3.45Å; F219-L223 PolarHBondContact O-N 2.95Å; I220-L223 WeakPolarHBondContact O-CB 3.48Å; I220-L223 PolarHBondContact O-N 3.43Å; L223-F225 VanDerWaalsContact C-N 3.29Å; L223-F225 WeakPolarHBondContact O-CD2 3.42Å; L223-F225 PolarHBondContact O-N 2.96Å
224	M	98.5	Very high	98.4	Very high	100 Å²	100	53.3 Å²	53.3	49%	0.493	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	8.9	174.8	-61.8	-169.8	-66.5	0	0	115.1	I220 R221 Q222 H226	I220-M224 HydrophobicContact CG2-CE 3.87Å; I220-M224 WeakPolarHBondContact O-CG 3.41Å; I220-M224 PolarHBondContact O-N 3.28Å; R221-M224 CarbonylContact O-C 3.59Å; R221-M224 PolarHBondContact O-N 2.88Å; Q222-M224 PolarHBondContact O-N 3.27Å; M224-H226 VanDerWaalsContact C-N 3.29Å; M224-H226 WeakPolarHBondContact CE-CE1 3.37Å; M224-H226 PolarHBondContact O-CD2 2.97Å; M224-H226 VanDerWaalsContact O-CD2 3.25Å; M224-H226 PolarHBondContact O-N 3.27Å
225	F	98.4	Very high	98.4	Very high	147 Å²	147	50.3 Å²	50.3	65%	0.645	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	28.7	179.2	-58.7	-99	0	0	0	114.6	R156 R221 Q222 L223 F227	R156-F225 VanDerWaalsContact NH2-CZ 3.33Å; R221-F225 PolarHBondContact O-N 3.08Å; Q222-F225 PolarHBondContact O-N 2.84Å; L223-F225 VanDerWaalsContact C-N 3.29Å; L223-F225 WeakPolarHBondContact O-CD2 3.42Å; L223-F225 PolarHBondContact O-N 2.96Å; F225-F227 VanDerWaalsContact C-N 3.33Å; F225-F227 PolarHBondContact O-N 3.2Å
226	H	98.6	Very high	98.4	Very high	21 Å²	21	51.2 Å²	51.2	10%	0.097	26%	0.256	C	S	.	.			trans	-75.3	-21.4	-178.8	-68.1	-177.1	0	0	0	114.1	T66 Y67 R221 M224	T66-H226 HydrophobicContact CG2-CB 4Å; Y67-H226 AromaticContact CE1-NE2 3.94Å; Y67-H226 AromaticContact CZ-CE1 3.91Å; Y67-H226 AromaticContact CZ-NE2 3.66Å; Y67-H226 PolarHBondContact OH-CE1 3.26Å; Y67-H226 PolarHBondContact OH-NE2 2.83Å; R221-H226 HydrophobicContact CB-CB 4.08Å; R221-H226 WeakPolarHBondContact O-CB 3.32Å; R221-H226 PolarHBondContact O-N 3.42Å; M224-H226 VanDerWaalsContact C-N 3.29Å; M224-H226 WeakPolarHBondContact CE-CE1 3.37Å; M224-H226 PolarHBondContact O-CD2 2.97Å; M224-H226 VanDerWaalsContact O-CD2 3.25Å; M224-H226 PolarHBondContact O-N 3.27Å
227	F	98.5	Very high	98.4	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.075	24%	0.243	C	C	.	.			trans	-96	140.5	179.9	-62.3	-47.5	0	0	0	111.2	L151 M159 C218 R221 Q222 F225 H232 F235	L151-F227 HydrophobicContact CD1-CB 4.01Å; L151-F227 HydrophobicContact CD2-CB 4.44Å; M159-F227 HydrophobicContact CE-CD2 4.43Å; C218-F227 HydrophobicContact CB-CE2 4.08Å; C218-F227 HydrophobicContact CB-CZ 4.21Å; C218-F227 WeakPolarHBondContact O-CE2 3.34Å; R221-F227 HydrophobicContact CB-CE2 3.99Å; R221-F227 HydrophobicContact CB-CZ 4.05Å; Q222-F227 HydrophobicContact CB-CD2 4.17Å; F225-F227 VanDerWaalsContact C-N 3.33Å; F225-F227 PolarHBondContact O-N 3.2Å; F227-H232 HydrophobicContact CB-CB 4.01Å; F227-H232 HydrophobicContact CD1-CB 3.68Å; F227-H232 HydrophobicContact CE1-CB 4.37Å; F227-H232 HydrophobicContact CG-CB 3.98Å; F227-F235 HydrophobicContact CE1-CB 4.38Å; F227-F235 HydrophobicContact CE2-CB 4.16Å; F227-F235 HydrophobicContact CZ-CB 4.01Å
228	T	98.2	Very high	98.4	Very high	75 Å²	75	44.9 Å²	44.9	46%	0.46	22%	0.222	S	C	.	.			trans	-109.7	163.6	168.1	67.7	0	0	0	0	109.1	K230 H231 H232	T228-K230 PolarHBondContact O-N 3Å; T228-H231 PolarHBondContact N-O 3.3Å; T228-H231 PolarHBondContact O-N 3.45Å; T228-H231 WeakPolarHBondContact OG1-CB 3.25Å; T228-H231 PolarHBondContact OG1-N 3.07Å; T228-H231 PolarHBondContact OG1-O 2.87Å; T228-H232 PolarHBondContact O-ND1 3.1Å
229	S	97.3	Very high	98.4	Very high	42 Å²	42	45.1 Å²	45.1	29%	0.294	22%	0.224	S	C	.	.	S	Bend	trans	-62.3	-11	177.4	57.8	0	0	0	0	114.8	L151 M152 H232	L151-S229 WeakPolarHBondContact O-CA 3.32Å; M152-S229 WeakPolarHBondContact O-CB 3.47Å; S229-H232 PolarHBondContact O-CE1 3.23Å; S229-H232 VanDerWaalsContact O-CE1 3.25Å
230	K	96.7	Very high	98.4	Very high	183 Å²	183	47.4 Å²	47.4	80%	0.796	23%	0.232	S	C	*	.	S	Bend	trans	-119.6	-17.4	-179.3	-61.8	-174.5	-179.2	-178.7	0	114.5	T228	T228-K230 PolarHBondContact O-N 3Å
231	H	97.6	Very high	98.4	Very high	55 Å²	55	44 Å²	44	26%	0.255	21%	0.214	S	C	.	.			trans	-134.2	98.5	-177.1	-176.4	-149.3	0	0	0	109.9	Q76 T228	Q76-H231 VanDerWaalsContact CD-NE2 3.32Å; Q76-H231 PolarHBondContact NE2-CD2 3.05Å; Q76-H231 PolarHBondContact NE2-NE2 3.2Å; Q76-H231 PolarHBondContact OE1-CD2 3.48Å; T228-H231 PolarHBondContact N-O 3.3Å; T228-H231 PolarHBondContact O-N 3.45Å; T228-H231 WeakPolarHBondContact OG1-CB 3.25Å; T228-H231 PolarHBondContact OG1-N 3.07Å; T228-H231 PolarHBondContact OG1-O 2.87Å
232	H	98.4	Very high	98.4	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.032	21%	0.209	C	C	.	.			trans	-153.6	38.4	-176.6	46.7	-102	0	0	0	112	H148 L151 F227 T228 S229 G234 F235 E236	H148-H232 AromaticContact NE2-NE2 3.63Å; L151-H232 HydrophobicContact CD2-CB 3.64Å; L151-H232 VanDerWaalsContact CD2-CG 3.46Å; F227-H232 HydrophobicContact CB-CB 4.01Å; F227-H232 HydrophobicContact CD1-CB 3.68Å; F227-H232 HydrophobicContact CE1-CB 4.37Å; F227-H232 HydrophobicContact CG-CB 3.98Å; T228-H232 PolarHBondContact O-ND1 3.1Å; S229-H232 PolarHBondContact O-CE1 3.23Å; S229-H232 VanDerWaalsContact O-CE1 3.25Å; H232-G234 PolarHBondContact O-N 2.77Å; H232-G234 VanDerWaalsContact O-N 3.08Å; H232-F235 HydrophobicContact CB-CB 4.38Å; H232-F235 WeakPolarHBondContact O-CA 3.43Å; H232-F235 WeakPolarHBondContact O-CB 3.23Å; H232-F235 PolarHBondContact O-N 3.27Å; H232-E236 PolarHBondContact O-N 2.85Å; H232-E236 VanDerWaalsContact O-N 3.11Å
233	F	98.6	Very high	98.4	Very high	25 Å²	25	45.4 Å²	45.4	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-53.2	-34.7	-178.3	174.3	-102.6	0	0	0	113.8	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 3.46Å; L79-F233 VanDerWaalsContact CB-CE1 3.46Å; L79-F233 HydrophobicContact CB-CE2 4.42Å; L79-F233 HydrophobicContact CB-CZ 3.74Å; L79-F233 HydrophobicContact CD1-CD1 4.04Å; L79-F233 HydrophobicContact CD1-CE1 4.28Å; L79-F233 HydrophobicContact CG-CE1 4.38Å; L79-F233 VanDerWaalsContact O-CZ 3.32Å; L79-F233 WeakPolarHBondContact O-CZ 3.08Å; R80-F233 HydrophobicContact CB-CE2 4.11Å; R80-F233 HydrophobicContact CG-CD2 3.6Å; R80-F233 HydrophobicContact CG-CE2 3.4Å; R80-F233 VanDerWaalsContact CG-CE2 3.4Å; R80-F233 HydrophobicContact CG-CZ 4.46Å; M83-F233 HydrophobicContact CB-CZ 4.04Å; F233-F235 PolarHBondContact O-N 2.92Å; F233-E236 HydrophobicContact CD2-CB 4.37Å; F233-E236 PolarHBondContact O-N 3.35Å; F233-E236 VanDerWaalsContact O-N 3.15Å; F233-A237 HydrophobicContact CE1-CB 4.13Å; F233-A237 HydrophobicContact CE2-CB 4.32Å; F233-A237 HydrophobicContact CZ-CB 3.94Å; F233-A237 WeakPolarHBondContact O-CB 3.36Å; F233-A237 PolarHBondContact O-N 2.71Å; F233-W240 HydrophobicContact CE2-CH2 4.48Å; F233-W240 HydrophobicContact CE2-CZ3 4.2Å
234	G	98.4	Very high	98.4	Very high	15 Å²	15	42.5 Å²	42.5	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-35.9	175.3	0	0	0	0	0	113.2	F214 H232 A238	F214-G234 WeakPolarHBondContact CZ-O 3.39Å; H232-G234 PolarHBondContact O-N 2.77Å; H232-G234 VanDerWaalsContact O-N 3.08Å; G234-A238 PolarHBondContact O-N 3.14Å
235	F	98.8	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-74.1	-42.3	172.7	178.9	-87.1	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 4.31Å; A147-F235 HydrophobicContact CB-CZ 3.95Å; H148-F235 HydrophobicContact CB-CE1 3.58Å; H148-F235 HydrophobicContact CB-CZ 4.15Å; H148-F235 AromaticContact CD2-CE1 3.74Å; H148-F235 AromaticContact CG-CE1 3.75Å; L151-F235 HydrophobicContact CD2-CB 4.33Å; L151-F235 HydrophobicContact CD2-CD1 4.03Å; L151-F235 HydrophobicContact CD2-CG 4.09Å; M159-F235 HydrophobicContact CE-CD2 3.72Å; M159-F235 HydrophobicContact CE-CE2 3.76Å; L163-F235 HydrophobicContact CD1-CE2 4.2Å; L163-F235 HydrophobicContact CD2-CE2 4.29Å; C218-F235 HydrophobicContact CB-CD2 4.29Å; F227-F235 HydrophobicContact CE1-CB 4.38Å; F227-F235 HydrophobicContact CE2-CB 4.16Å; F227-F235 HydrophobicContact CZ-CB 4.01Å; H232-F235 HydrophobicContact CB-CB 4.38Å; H232-F235 WeakPolarHBondContact O-CA 3.43Å; H232-F235 WeakPolarHBondContact O-CB 3.23Å; H232-F235 PolarHBondContact O-N 3.27Å; F233-F235 PolarHBondContact O-N 2.92Å; F235-A237 VanDerWaalsContact C-N 3.32Å; F235-A237 PolarHBondContact O-N 3.17Å; F235-A238 PolarHBondContact O-N 3.19Å; F235-A239 HydrophobicContact CE1-CB 4.45Å; F235-A239 WeakPolarHBondContact O-CB 3.44Å; F235-A239 PolarHBondContact O-N 3.34Å
236	E	98.8	Very high	98.4	Very high	20 Å²	20	31.2 Å²	31.2	9%	0.093	15%	0.154	C	C	.	.	H	α-helix	trans	-55	-47.6	174.2	-65.3	179.6	-172.8	0	0	111.3	R80 H232 F233 A239 W240	R80-E236 IonicContact CZ-OE1 3.9Å; R80-E236 IonicContact CZ-OE2 3.36Å; R80-E236 IonicContact NE-OE2 2.92Å; R80-E236 PolarHBondContact NE-OE2 2.86Å; R80-E236 IonicContact NH2-OE1 2.85Å; R80-E236 PolarHBondContact NH2-OE1 3.48Å; R80-E236 IonicContact NH2-OE2 2.99Å; R80-E236 PolarHBondContact NH2-OE2 3.25Å; H232-E236 PolarHBondContact O-N 2.85Å; H232-E236 VanDerWaalsContact O-N 3.11Å; F233-E236 HydrophobicContact CD2-CB 4.37Å; F233-E236 PolarHBondContact O-N 3.35Å; F233-E236 VanDerWaalsContact O-N 3.15Å; E236-A239 PolarHBondContact O-N 2.68Å; E236-W240 PolarHBondContact O-N 3.28Å
237	A	98.8	Very high	98.3	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-44	179.1	0	0	0	0	0	112.2	M83 F214 F233 F235 A239 W240 Y241	M83-A237 HydrophobicContact CE-CB 4.4Å; M83-A237 WeakPolarHBondContact CE-O 3.39Å; M83-A237 HydrophobicContact CG-CB 3.95Å; M83-A237 HydrophobicContact SD-CB 4.02Å; F214-A237 HydrophobicContact CE1-CB 4.19Å; F214-A237 HydrophobicContact CZ-CB 4.05Å; F233-A237 HydrophobicContact CE1-CB 4.13Å; F233-A237 HydrophobicContact CE2-CB 4.32Å; F233-A237 HydrophobicContact CZ-CB 3.94Å; F233-A237 WeakPolarHBondContact O-CB 3.36Å; F233-A237 PolarHBondContact O-N 2.71Å; F235-A237 VanDerWaalsContact C-N 3.32Å; F235-A237 PolarHBondContact O-N 3.17Å; A237-A239 VanDerWaalsContact C-N 3.31Å; A237-A239 PolarHBondContact O-N 3.28Å; A237-W240 PolarHBondContact O-N 3.16Å; A237-Y241 WeakPolarHBondContact O-CB 3.36Å; A237-Y241 PolarHBondContact O-N 2.56Å
238	A	98.8	Very high	98.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-39.1	175.9	0	0	0	0	0	111.7	F214 L215 G234 F235 Y241 W242	F214-A238 HydrophobicContact CB-CB 4.49Å; F214-A238 HydrophobicContact CD1-CB 3.75Å; F214-A238 HydrophobicContact CD2-CB 3.99Å; F214-A238 HydrophobicContact CE1-CB 3.88Å; F214-A238 HydrophobicContact CE2-CB 4.09Å; F214-A238 HydrophobicContact CG-CB 3.81Å; F214-A238 HydrophobicContact CZ-CB 4.04Å; L215-A238 HydrophobicContact CD2-CB 3.85Å; G234-A238 PolarHBondContact O-N 3.14Å; F235-A238 PolarHBondContact O-N 3.19Å; A238-Y241 PolarHBondContact O-N 3.02Å; A238-W242 WeakPolarHBondContact O-CB 3.34Å; A238-W242 PolarHBondContact O-N 3.07Å
239	A	98.8	Very high	98.4	Very high	6 Å²	6	30 Å²	30	5%	0.05	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-41.8	176.5	0	0	0	0	0	112.8	I144 F235 E236 A237 Y241 W242 H243	I144-A239 HydrophobicContact CD1-CB 3.8Å; I144-A239 HydrophobicContact CG1-CB 4.19Å; F235-A239 HydrophobicContact CE1-CB 4.45Å; F235-A239 WeakPolarHBondContact O-CB 3.44Å; F235-A239 PolarHBondContact O-N 3.34Å; E236-A239 PolarHBondContact O-N 2.68Å; A237-A239 VanDerWaalsContact C-N 3.31Å; A237-A239 PolarHBondContact O-N 3.28Å; A239-Y241 VanDerWaalsContact C-N 3.34Å; A239-Y241 PolarHBondContact O-N 3.03Å; A239-W242 PolarHBondContact O-N 3.45Å; A239-H243 PolarHBondContact O-CD2 2.98Å; A239-H243 VanDerWaalsContact O-CD2 3.27Å; A239-H243 PolarHBondContact O-N 3.4Å
240	W	98.8	Very high	98.4	Very high	84 Å²	84	31 Å²	31	32%	0.318	15%	0.151	S	C	.	.	H	α-helix	trans	-61.9	-42.8	173.9	-63.7	-11.4	0	0	0	111.9	R80 M83 I84 I87 F233 E236 A237 W242 H243 F244	R80-W240 HydrophobicContact CB-CH2 3.99Å; R80-W240 HydrophobicContact CB-CZ3 4.23Å; R80-W240 HydrophobicContact CG-CH2 3.76Å; R80-W240 HydrophobicContact CG-CZ3 4.28Å; M83-W240 HydrophobicContact CB-CE3 4.16Å; M83-W240 HydrophobicContact CB-CZ3 4.21Å; M83-W240 HydrophobicContact CG-CE3 3.9Å; M83-W240 HydrophobicContact CG-CZ3 4.45Å; I84-W240 HydrophobicContact CD1-CZ3 4.48Å; I84-W240 HydrophobicContact CG1-CE3 4.5Å; I84-W240 HydrophobicContact CG1-CZ3 4.07Å; I87-W240 HydrophobicContact CD1-CB 3.75Å; F233-W240 HydrophobicContact CE2-CH2 4.48Å; F233-W240 HydrophobicContact CE2-CZ3 4.2Å; E236-W240 PolarHBondContact O-N 3.28Å; A237-W240 PolarHBondContact O-N 3.16Å; W240-W242 VanDerWaalsContact C-N 3.34Å; W240-H243 PolarHBondContact O-N 2.97Å; W240-F244 PolarHBondContact O-N 3.1Å
241	Y	98.9	Very high	98.5	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.02	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-39.5	175.9	-170.1	-96.1	0	0	0	111.9	M83 F86 H207 I210 A237 A238 A239 F244 V245	M83-Y241 HydrophobicContact CE-CD2 3.97Å; M83-Y241 HydrophobicContact CE-CG 4.26Å; F86-Y241 AromaticContact CE1-CD2 3.98Å; F86-Y241 HydrophobicContact CE1-CD2 3.98Å; F86-Y241 AromaticContact CE1-CE2 3.81Å; F86-Y241 HydrophobicContact CE1-CE2 3.81Å; F86-Y241 HydrophobicContact CZ-CE2 4.3Å; H207-Y241 AromaticContact CD2-CZ 3.85Å; H207-Y241 PolarHBondContact CD2-OH 3.25Å; H207-Y241 WeakPolarHBondContact O-CE1 3.35Å; I210-Y241 HydrophobicContact CB-CE1 4.37Å; I210-Y241 HydrophobicContact CG2-CE1 4.04Å; A237-Y241 WeakPolarHBondContact O-CB 3.36Å; A237-Y241 PolarHBondContact O-N 2.56Å; A238-Y241 PolarHBondContact O-N 3.02Å; A239-Y241 VanDerWaalsContact C-N 3.34Å; A239-Y241 PolarHBondContact O-N 3.03Å; Y241-F244 HydrophobicContact CD2-CD1 4.26Å; Y241-F244 HydrophobicContact CE2-CD1 4.26Å; Y241-F244 HydrophobicContact CE2-CE1 4.35Å; Y241-F244 WeakPolarHBondContact O-CB 3.39Å; Y241-F244 PolarHBondContact O-N 3.35Å; Y241-V245 HydrophobicContact CD1-CG2 4.22Å; Y241-V245 HydrophobicContact CE1-CG2 3.98Å; Y241-V245 WeakPolarHBondContact O-CG2 3.23Å; Y241-V245 PolarHBondContact O-N 3.27Å
242	W	98.8	Very high	98.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-45.9	177.3	-163.1	-101.1	0	0	0	112.2	L137 S140 I144 T166 V208 S212 L215 A238 A239 W240 F244 V245 D246	L137-W242 HydrophobicContact CD2-CZ2 4.37Å; S140-W242 PolarHBondContact OG-NE1 3.38Å; I144-W242 HydrophobicContact CD1-CB 3.82Å; I144-W242 HydrophobicContact CD1-CG 3.99Å; T166-W242 HydrophobicContact CG2-CZ2 4.48Å; V208-W242 HydrophobicContact CG1-CH2 4.17Å; S212-W242 WeakPolarHBondContact OG-CH2 3.44Å; S212-W242 WeakPolarHBondContact OG-CZ3 3.36Å; L215-W242 HydrophobicContact CD1-CD2 3.54Å; L215-W242 HydrophobicContact CD1-CE3 3.5Å; L215-W242 HydrophobicContact CD1-CG 4.03Å; L215-W242 HydrophobicContact CD1-CH2 4.4Å; L215-W242 HydrophobicContact CD1-CZ2 4.43Å; L215-W242 HydrophobicContact CD1-CZ3 3.97Å; L215-W242 HydrophobicContact CG-CE3 4.33Å; A238-W242 WeakPolarHBondContact O-CB 3.34Å; A238-W242 PolarHBondContact O-N 3.07Å; A239-W242 PolarHBondContact O-N 3.45Å; W240-W242 VanDerWaalsContact C-N 3.34Å; W242-F244 VanDerWaalsContact C-N 3.3Å; W242-F244 PolarHBondContact O-N 3.03Å; W242-V245 WeakPolarHBondContact O-CB 3.43Å; W242-V245 PolarHBondContact O-N 2.96Å; W242-V245 VanDerWaalsContact O-N 3.1Å; W242-D246 PolarHBondContact O-N 3.2Å
243	H	98.8	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	-33.2	174.1	-70.7	-46.8	0	0	0	113.2	A239 W240 V245 D246 V247	A239-H243 PolarHBondContact O-CD2 2.98Å; A239-H243 VanDerWaalsContact O-CD2 3.27Å; A239-H243 PolarHBondContact O-N 3.4Å; W240-H243 PolarHBondContact O-N 2.97Å; H243-V245 VanDerWaalsContact C-N 3.33Å; H243-D246 IonicContact ND1-OD2 3.38Å; H243-D246 PolarHBondContact O-N 3.31Å; H243-V247 WeakPolarHBondContact O-CG2 3.47Å; H243-V247 PolarHBondContact O-N 3.02Å
244	F	98.6	Very high	98.6	Very high	16 Å²	16	28.4 Å²	28.4	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-46.2	170.4	154	-97.2	0	0	0	111	I87 E90 V91 F94 H207 W240 Y241 W242 D246 V247 V248	I87-F244 HydrophobicContact CG2-CB 3.97Å; I87-F244 HydrophobicContact CG2-CD2 3.88Å; I87-F244 HydrophobicContact CG2-CG 4.02Å; E90-F244 HydrophobicContact CB-CE1 4.19Å; E90-F244 HydrophobicContact CB-CE2 3.96Å; E90-F244 HydrophobicContact CB-CZ 3.57Å; V91-F244 HydrophobicContact CG2-CD2 3.93Å; V91-F244 HydrophobicContact CG2-CE2 3.83Å; F94-F244 HydrophobicContact CD2-CE2 4.42Å; F94-F244 AromaticContact CD2-CZ 3.83Å; F94-F244 HydrophobicContact CD2-CZ 3.83Å; F94-F244 HydrophobicContact CE2-CE1 4.47Å; F94-F244 AromaticContact CE2-CZ 3.81Å; F94-F244 HydrophobicContact CE2-CZ 3.81Å; H207-F244 AromaticContact CD2-CE1 3.74Å; W240-F244 PolarHBondContact O-N 3.1Å; Y241-F244 HydrophobicContact CD2-CD1 4.26Å; Y241-F244 HydrophobicContact CE2-CD1 4.26Å; Y241-F244 HydrophobicContact CE2-CE1 4.35Å; Y241-F244 WeakPolarHBondContact O-CB 3.39Å; Y241-F244 PolarHBondContact O-N 3.35Å; W242-F244 VanDerWaalsContact C-N 3.3Å; W242-F244 PolarHBondContact O-N 3.03Å; F244-D246 VanDerWaalsContact C-N 3.35Å; F244-D246 PolarHBondContact O-N 2.86Å; F244-V247 PolarHBondContact O-N 3.37Å; F244-V248 HydrophobicContact CD2-CG2 3.93Å; F244-V248 HydrophobicContact CE2-CG2 3.47Å; F244-V248 VanDerWaalsContact CE2-CG2 3.47Å; F244-V248 HydrophobicContact CZ-CG2 3.8Å; F244-V248 WeakPolarHBondContact O-CG2 3.12Å; F244-V248 PolarHBondContact O-N 2.87Å
245	V	98.5	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-42.9	176.7	170.7	0	0	0	0	111.6	H204 H207 V208 Y241 W242 H243 W249	H204-V245 PolarHBondContact NE2-O 3.36Å; H207-V245 HydrophobicContact CB-CG2 4.02Å; V208-V245 HydrophobicContact CB-CG1 4.27Å; V208-V245 HydrophobicContact CG2-CG1 3.36Å; Y241-V245 HydrophobicContact CD1-CG2 4.22Å; Y241-V245 HydrophobicContact CE1-CG2 3.98Å; Y241-V245 WeakPolarHBondContact O-CG2 3.23Å; Y241-V245 PolarHBondContact O-N 3.27Å; W242-V245 WeakPolarHBondContact O-CB 3.43Å; W242-V245 PolarHBondContact O-N 2.96Å; W242-V245 VanDerWaalsContact O-N 3.1Å; H243-V245 VanDerWaalsContact C-N 3.33Å; V245-W249 PolarHBondContact O-N 2.88Å
246	D	97	Very high	98.6	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.059	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-47.9	175.7	-64.9	-21.6	0	0	0	111.3	W242 H243 F244 W249 L250	W242-D246 PolarHBondContact O-N 3.2Å; H243-D246 IonicContact ND1-OD2 3.38Å; H243-D246 PolarHBondContact O-N 3.31Å; F244-D246 VanDerWaalsContact C-N 3.35Å; F244-D246 PolarHBondContact O-N 2.86Å; D246-W249 WeakPolarHBondContact O-CB 3.44Å; D246-W249 PolarHBondContact O-N 3.21Å; D246-L250 PolarHBondContact O-N 2.9Å; D246-L250 VanDerWaalsContact O-N 3.09Å
247	V	98.5	Very high	98.5	Very high	75 Å²	75	27 Å²	27	46%	0.455	13%	0.134	S	C	.	.	H	α-helix	trans	-64.9	-45.2	-178.1	170.7	0	0	0	0	111.1	H243 F244 W249 L250 F251	H243-V247 WeakPolarHBondContact O-CG2 3.47Å; H243-V247 PolarHBondContact O-N 3.02Å; F244-V247 PolarHBondContact O-N 3.37Å; V247-W249 VanDerWaalsContact C-N 3.25Å; V247-W249 PolarHBondContact O-N 3.21Å; V247-L250 WeakPolarHBondContact O-CB 3.3Å; V247-L250 PolarHBondContact O-N 3.18Å; V247-L250 VanDerWaalsContact O-N 3.12Å; V247-F251 HydrophobicContact CG1-CD2 3.95Å; V247-F251 HydrophobicContact CG1-CE2 3.76Å; V247-F251 VanDerWaalsContact O-CD2 3.3Å; V247-F251 WeakPolarHBondContact O-CD2 3.5Å; V247-F251 PolarHBondContact O-N 2.89Å
248	V	98.6	Very high	98.5	Very high	10 Å²	10	34.5 Å²	34.5	6%	0.061	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-39.7	176.7	174.4	0	0	0	0	110.8	F94 F244 L250 F251 L252	F94-V248 HydrophobicContact CD1-CG1 3.56Å; F94-V248 HydrophobicContact CD2-CG1 4.21Å; F94-V248 HydrophobicContact CD2-CG2 4.26Å; F94-V248 HydrophobicContact CE1-CG1 3.68Å; F94-V248 HydrophobicContact CE2-CG1 4.32Å; F94-V248 HydrophobicContact CG-CG1 3.85Å; F94-V248 HydrophobicContact CG-CG2 4.39Å; F94-V248 HydrophobicContact CZ-CG1 4.07Å; F244-V248 HydrophobicContact CD2-CG2 3.93Å; F244-V248 HydrophobicContact CE2-CG2 3.47Å; F244-V248 VanDerWaalsContact CE2-CG2 3.47Å; F244-V248 HydrophobicContact CZ-CG2 3.8Å; F244-V248 WeakPolarHBondContact O-CG2 3.12Å; F244-V248 PolarHBondContact O-N 2.87Å; V248-L250 VanDerWaalsContact C-N 3.35Å; V248-L250 PolarHBondContact O-N 3.21Å; V248-F251 PolarHBondContact O-N 3.12Å; V248-L252 HydrophobicContact CG1-CD1 4.17Å; V248-L252 HydrophobicContact CG1-CG 4.4Å; V248-L252 WeakPolarHBondContact O-CG 3.35Å; V248-L252 PolarHBondContact O-N 3.17Å
249	W	98.8	Very high	98.5	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-44.4	174.7	178.4	-104.1	0	0	0	112.2	N133 T134 L137 F173 H204 V245 D246 V247 F251 L252 Y253 Y257	N133-W249 HydrophobicContact CB-CH2 4.12Å; N133-W249 HydrophobicContact CB-CZ2 3.51Å; T134-W249 VanDerWaalsContact CA-NE1 3.32Å; T134-W249 PolarHBondContact OG1-NE1 3.42Å; L137-W249 HydrophobicContact CD1-CB 3.56Å; L137-W249 HydrophobicContact CD1-CD2 4.1Å; L137-W249 HydrophobicContact CD1-CG 3.51Å; F173-W249 AromaticContact CE2-CD2 3.76Å; F173-W249 HydrophobicContact CE2-CD2 3.76Å; F173-W249 AromaticContact CE2-CE2 3.84Å; F173-W249 AromaticContact CE2-CE3 3.79Å; F173-W249 HydrophobicContact CE2-CE3 3.79Å; F173-W249 HydrophobicContact CE2-CG 4.44Å; F173-W249 AromaticContact CE2-CH2 3.95Å; F173-W249 HydrophobicContact CE2-CH2 3.95Å; F173-W249 AromaticContact CE2-CZ2 3.95Å; F173-W249 HydrophobicContact CE2-CZ2 3.95Å; F173-W249 AromaticContact CE2-CZ3 3.88Å; F173-W249 HydrophobicContact CE2-CZ3 3.88Å; F173-W249 AromaticContact CZ-CD2 3.99Å; F173-W249 HydrophobicContact CZ-CD2 3.99Å; F173-W249 AromaticContact CZ-CE3 3.53Å; F173-W249 HydrophobicContact CZ-CE3 3.53Å; F173-W249 HydrophobicContact CZ-CH2 4.03Å; F173-W249 HydrophobicContact CZ-CZ2 4.46Å; F173-W249 AromaticContact CZ-CZ3 3.55Å; F173-W249 HydrophobicContact CZ-CZ3 3.55Å; H204-W249 AromaticContact CE1-CE3 3.64Å; H204-W249 AromaticContact ND1-CE3 3.74Å; H204-W249 WeakPolarHBondContact NE2-CB 3.43Å; V245-W249 PolarHBondContact O-N 2.88Å; D246-W249 WeakPolarHBondContact O-CB 3.44Å; D246-W249 PolarHBondContact O-N 3.21Å; V247-W249 VanDerWaalsContact C-N 3.25Å; V247-W249 PolarHBondContact O-N 3.21Å; W249-F251 VanDerWaalsContact C-N 3.28Å; W249-F251 PolarHBondContact O-N 3.26Å; W249-L252 HydrophobicContact CE3-CD1 4.44Å; W249-L252 CarbonylContact O-C 3.52Å; W249-L252 WeakPolarHBondContact O-CB 3.14Å; W249-L252 PolarHBondContact O-N 3.06Å; W249-L252 VanDerWaalsContact O-N 3.09Å; W249-Y253 WeakPolarHBondContact O-CB 3.33Å; W249-Y253 PolarHBondContact O-N 3.14Å; W249-Y257 AromaticContact CH2-CE2 3.94Å; W249-Y257 HydrophobicContact CH2-CE2 3.94Å; W249-Y257 HydrophobicContact CZ3-CE2 4.17Å
250	L	98.5	Very high	98.4	Very high	63 Å²	63	40.3 Å²	40.3	33%	0.33	18%	0.182	S	C	.	.	H	α-helix	trans	-59.5	-40.3	177.9	-66.5	175.9	0	0	0	111.9	T134 L138 D246 V247 V248 Y253 V254	T134-L250 HydrophobicContact CG2-CD2 3.83Å; L138-L250 HydrophobicContact CD2-CD1 4.32Å; L138-L250 HydrophobicContact CD2-CD2 4.35Å; D246-L250 PolarHBondContact O-N 2.9Å; D246-L250 VanDerWaalsContact O-N 3.09Å; V247-L250 WeakPolarHBondContact O-CB 3.3Å; V247-L250 PolarHBondContact O-N 3.18Å; V247-L250 VanDerWaalsContact O-N 3.12Å; V248-L250 VanDerWaalsContact C-N 3.35Å; V248-L250 PolarHBondContact O-N 3.21Å; L250-Y253 PolarHBondContact O-N 3.06Å; L250-V254 WeakPolarHBondContact O-CG2 3.38Å; L250-V254 PolarHBondContact O-N 3.08Å
251	F	98.6	Very high	98	Very high	123 Å²	123	38.7 Å²	38.7	54%	0.539	18%	0.184	S	C	.	.	H	α-helix	trans	-65.4	-40.7	173.9	-80.1	-83.2	0	0	0	112.2	F98 V247 V248 W249 S255	F98-F251 HydrophobicContact CE1-CB 3.83Å; F98-F251 HydrophobicContact CE2-CB 4.14Å; F98-F251 HydrophobicContact CZ-CB 3.43Å; F98-F251 VanDerWaalsContact CZ-CB 3.43Å; V247-F251 HydrophobicContact CG1-CD2 3.95Å; V247-F251 HydrophobicContact CG1-CE2 3.76Å; V247-F251 VanDerWaalsContact O-CD2 3.3Å; V247-F251 WeakPolarHBondContact O-CD2 3.5Å; V247-F251 PolarHBondContact O-N 2.89Å; V248-F251 PolarHBondContact O-N 3.12Å; W249-F251 VanDerWaalsContact C-N 3.28Å; W249-F251 PolarHBondContact O-N 3.26Å; F251-S255 WeakPolarHBondContact O-CB 3.41Å; F251-S255 PolarHBondContact O-N 3.07Å; F251-S255 PolarHBondContact O-OG 3.48Å
252	L	98.6	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-46	175.5	-70.2	171.8	0	0	0	111.7	F98 A200 H204 V248 W249 S255 I256 Y257	F98-L252 HydrophobicContact CE1-CD2 3.87Å; F98-L252 HydrophobicContact CE1-CG 4.34Å; F98-L252 HydrophobicContact CZ-CD2 3.73Å; F98-L252 HydrophobicContact CZ-CG 3.92Å; A200-L252 HydrophobicContact CB-CD2 3.85Å; H204-L252 HydrophobicContact CB-CD1 3.43Å; H204-L252 VanDerWaalsContact CB-CD1 3.43Å; V248-L252 HydrophobicContact CG1-CD1 4.17Å; V248-L252 HydrophobicContact CG1-CG 4.4Å; V248-L252 WeakPolarHBondContact O-CG 3.35Å; V248-L252 PolarHBondContact O-N 3.17Å; W249-L252 HydrophobicContact CE3-CD1 4.44Å; W249-L252 CarbonylContact O-C 3.52Å; W249-L252 WeakPolarHBondContact O-CB 3.14Å; W249-L252 PolarHBondContact O-N 3.06Å; W249-L252 VanDerWaalsContact O-N 3.09Å; L252-S255 PolarHBondContact O-N 2.93Å; L252-I256 HydrophobicContact CD2-CD1 3.68Å; L252-I256 HydrophobicContact CD2-CG1 4.48Å; L252-I256 WeakPolarHBondContact O-CB 3.47Å; L252-I256 PolarHBondContact O-N 2.97Å; L252-Y257 PolarHBondContact O-N 3.45Å
253	Y	98.7	Very high	97.9	Very high	22 Å²	22	42.5 Å²	42.5	9%	0.086	20%	0.202	C	C	.	.	I	π-helix	trans	-58.5	-53.8	178.5	178.9	-100.4	0	0	0	111.2	P126 P130 T134 W249 L250 Y257 W258	P126-Y253 HydrophobicContact CB-CE2 4.3Å; P126-Y253 WeakPolarHBondContact O-CE2 3.41Å; P126-Y253 PolarHBondContact O-OH 3.1Å; P130-Y253 HydrophobicContact CB-CD2 4.01Å; P130-Y253 HydrophobicContact CB-CE2 3.82Å; T134-Y253 WeakPolarHBondContact OG1-CD2 3.48Å; W249-Y253 WeakPolarHBondContact O-CB 3.33Å; W249-Y253 PolarHBondContact O-N 3.14Å; L250-Y253 PolarHBondContact O-N 3.06Å; Y253-Y257 CarbonylContact O-C 3.57Å; Y253-Y257 WeakPolarHBondContact O-CB 3.26Å; Y253-Y257 PolarHBondContact O-N 3.4Å; Y253-W258 WeakPolarHBondContact O-CB 3.39Å; Y253-W258 PolarHBondContact O-N 2.68Å
254	V	98.6	Very high	97.8	Very high	71 Å²	71	41.1 Å²	41.1	43%	0.43	20%	0.196	S	C	.	.	I	π-helix	trans	-66.5	-42.4	-178.6	175.4	0	0	0	0	111.5	L250 W258 W259	L250-V254 WeakPolarHBondContact O-CG2 3.38Å; L250-V254 PolarHBondContact O-N 3.08Å; V254-W258 HydrophobicContact CG1-CE3 4.5Å; V254-W259 VanDerWaalsContact O-CB 3.29Å; V254-W259 WeakPolarHBondContact O-CB 3.42Å; V254-W259 PolarHBondContact O-N 2.96Å
255	S	98.5	Very high	97.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.014	20%	0.203	C	C	.	.	I	π-helix	trans	-79.4	-54.8	-172.8	-49.7	0	0	0	0	112.2	F101 Y102 F251 L252 G260	F101-S255 WeakPolarHBondContact CE1-O 3.25Å; F101-S255 VanDerWaalsContact CZ-O 3.24Å; F101-S255 WeakPolarHBondContact CZ-O 3.37Å; Y102-S255 VanDerWaalsContact OH-CB 3.29Å; Y102-S255 WeakPolarHBondContact OH-CB 3.43Å; Y102-S255 PolarHBondContact OH-OG 3.39Å; F251-S255 WeakPolarHBondContact O-CB 3.41Å; F251-S255 PolarHBondContact O-N 3.07Å; F251-S255 PolarHBondContact O-OG 3.48Å; L252-S255 PolarHBondContact O-N 2.93Å; S255-G260 WeakPolarHBondContact O-CA 3.42Å; S255-G260 PolarHBondContact O-N 2.67Å
256	I	98.3	Very high	97.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.216	C	C	.	.	I	π-helix	trans	-90.9	-48.6	-169.3	-58.3	-175.6	0	0	0	110.9	F101 F197 A200 L252 G260	F101-I256 HydrophobicContact CD1-CG1 4.23Å; F101-I256 HydrophobicContact CD2-CD1 4.42Å; F101-I256 HydrophobicContact CD2-CG1 3.94Å; F101-I256 HydrophobicContact CE1-CG1 4.3Å; F101-I256 HydrophobicContact CE2-CB 4.41Å; F101-I256 HydrophobicContact CE2-CG1 4Å; F101-I256 HydrophobicContact CE2-CG2 4.44Å; F101-I256 HydrophobicContact CG-CD1 4.48Å; F101-I256 HydrophobicContact CG-CG1 4.06Å; F101-I256 HydrophobicContact CZ-CG1 4.19Å; F197-I256 HydrophobicContact CD2-CG2 3.57Å; F197-I256 HydrophobicContact CE2-CG2 4.25Å; F197-I256 HydrophobicContact CG-CG2 4.49Å; A200-I256 HydrophobicContact CB-CD1 3.83Å; L252-I256 HydrophobicContact CD2-CD1 3.68Å; L252-I256 HydrophobicContact CD2-CG1 4.48Å; L252-I256 WeakPolarHBondContact O-CB 3.47Å; L252-I256 PolarHBondContact O-N 2.97Å; I256-G260 CarbonylContact O-C 3.55Å
257	Y	98.1	Very high	97.8	Very high	3 Å²	3	47.5 Å²	47.5	1%	0.012	23%	0.226	C	C	.	.	I	π-helix	trans	-80.2	-21.2	-174.4	-74	-92.8	0	0	0	114.2	L124 P126 P130 Q177 E180 F197 T201 W249 L252 Y253 S261	L124-Y257 HydrophobicContact CD1-CE1 4.06Å; P126-Y257 VanDerWaalsContact CB-O 3.23Å; P126-Y257 WeakPolarHBondContact CB-O 3.47Å; P126-Y257 WeakPolarHBondContact CG-O 3.46Å; P130-Y257 HydrophobicContact CB-CD1 3.7Å; P130-Y257 HydrophobicContact CB-CE1 4.1Å; P130-Y257 HydrophobicContact CB-CG 4.17Å; P130-Y257 HydrophobicContact CG-CD1 3.46Å; P130-Y257 VanDerWaalsContact CG-CD1 3.46Å; P130-Y257 HydrophobicContact CG-CE1 3.69Å; P130-Y257 HydrophobicContact CG-CG 4.4Å; Q177-Y257 PolarHBondContact NE2-OH 3.43Å; E180-Y257 VanDerWaalsContact OE1-CE1 3.23Å; E180-Y257 WeakPolarHBondContact OE1-CE1 3.25Å; E180-Y257 VanDerWaalsContact OE1-CZ 3.31Å; E180-Y257 PolarHBondContact OE1-OH 2.89Å; F197-Y257 HydrophobicContact CE2-CD1 4.17Å; F197-Y257 AromaticContact CE2-CE1 3.63Å; F197-Y257 HydrophobicContact CE2-CE1 3.63Å; F197-Y257 HydrophobicContact CE2-CE2 4.09Å; F197-Y257 AromaticContact CE2-CZ 3.59Å; F197-Y257 AromaticContact CZ-CE1 3.73Å; F197-Y257 HydrophobicContact CZ-CE1 3.73Å; F197-Y257 HydrophobicContact CZ-CE2 4.45Å; F197-Y257 AromaticContact CZ-CZ 3.61Å; F197-Y257 WeakPolarHBondContact CZ-OH 3.28Å; T201-Y257 HydrophobicContact CG2-CE2 3.72Å; W249-Y257 AromaticContact CH2-CE2 3.94Å; W249-Y257 HydrophobicContact CH2-CE2 3.94Å; W249-Y257 HydrophobicContact CZ3-CE2 4.17Å; L252-Y257 PolarHBondContact O-N 3.45Å; Y253-Y257 CarbonylContact O-C 3.57Å; Y253-Y257 WeakPolarHBondContact O-CB 3.26Å; Y253-Y257 PolarHBondContact O-N 3.4Å; Y257-S261 PolarHBondContact O-OG 3.21Å
258	W	98.2	Very high	97.8	Very high	161 Å²	161	45.5 Å²	45.5	61%	0.61	21%	0.21	S	C	*	.	I	π-helix	trans	-117.6	-55.8	-175.1	-170.9	22.6	0	0	0	114	P126 Y253 V254 S261	P126-W258 HydrophobicContact CB-CB 4.3Å; Y253-W258 WeakPolarHBondContact O-CB 3.39Å; Y253-W258 PolarHBondContact O-N 2.68Å; V254-W258 HydrophobicContact CG1-CE3 4.5Å; W258-S261 PolarHBondContact N-OG 3.09Å; W258-S261 PolarHBondContact O-OG 3.17Å
259	W	98.6	Very high	97.7	Very high	128 Å²	128	48.2 Å²	48.2	49%	0.485	22%	0.221	S	C	.	.	I	π-helix	trans	-76.5	-37.2	179.1	173.8	86.5	0	0	0	112.4	F101 Y102 S105 L106 V254 S261	F101-W259 AromaticContact CE1-CE3 3.81Å; F101-W259 HydrophobicContact CE1-CE3 3.81Å; F101-W259 AromaticContact CE1-CZ3 3.66Å; F101-W259 HydrophobicContact CE1-CZ3 3.66Å; F101-W259 AromaticContact CZ-CE3 3.81Å; F101-W259 HydrophobicContact CZ-CE3 3.81Å; F101-W259 AromaticContact CZ-CZ3 3.7Å; F101-W259 HydrophobicContact CZ-CZ3 3.7Å; Y102-W259 HydrophobicContact CD1-CH2 4.25Å; Y102-W259 AromaticContact CD1-CZ3 4Å; Y102-W259 HydrophobicContact CD1-CZ3 4Å; Y102-W259 HydrophobicContact CE1-CE3 4.07Å; Y102-W259 HydrophobicContact CE1-CH2 4.39Å; Y102-W259 AromaticContact CE1-CZ3 3.94Å; Y102-W259 HydrophobicContact CE1-CZ3 3.94Å; S105-W259 VanDerWaalsContact OG-CZ3 3.26Å; S105-W259 WeakPolarHBondContact OG-CZ3 3.29Å; L106-W259 HydrophobicContact CD2-CH2 3.51Å; L106-W259 HydrophobicContact CD2-CZ2 3.49Å; L106-W259 VanDerWaalsContact CD2-CZ2 3.49Å; L106-W259 HydrophobicContact CG-CH2 3.92Å; L106-W259 HydrophobicContact CG-CZ2 4.39Å; V254-W259 VanDerWaalsContact O-CB 3.29Å; V254-W259 WeakPolarHBondContact O-CB 3.42Å; V254-W259 PolarHBondContact O-N 2.96Å; W259-S261 VanDerWaalsContact C-N 3.33Å; W259-S261 PolarHBondContact O-N 2.82Å
260	G	95.9	Very high	97.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.239	C	C	.	.			trans	-88.5	12.2	-173.9	0	0	0	0	0	116	W116 S255 I256	W116-G260 VanDerWaalsContact CD1-O 3.24Å; W116-G260 PolarHBondContact NE1-O 2.87Å; S255-G260 WeakPolarHBondContact O-CA 3.42Å; S255-G260 PolarHBondContact O-N 2.67Å; I256-G260 CarbonylContact O-C 3.55Å
261	S	90.5	Very high	97.5	Very high	51 Å²	51	51.2 Å²	51.2	36%	0.357	23%	0.231	S	C	.	.			trans	-133.6	0	-168.1	56.7	0	0	0	0	110	P117 P123 Y257 W258 W259	P117-S261 WeakPolarHBondContact CD-OXT 3.45Å; P117-S261 WeakPolarHBondContact CG-OXT 3.12Å; P123-S261 WeakPolarHBondContact CG-OXT 3.47Å; Y257-S261 PolarHBondContact O-OG 3.21Å; W258-S261 PolarHBondContact N-OG 3.09Å; W258-S261 PolarHBondContact O-OG 3.17Å; W259-S261 VanDerWaalsContact C-N 3.33Å; W259-S261 PolarHBondContact O-N 2.82Å

Retrieved 261 of 261 residues in 253.5 ms (Link to these results)

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