A0A3Q0KPX9_SCHMA Loading...

Putative amine GPCR

AlphaFold DB , UniProt , Accession A0A3Q0KPX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 785 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	38.7	Very low	44.5	Very low	241 Å²	241	150.5 Å²	150.5	100%	1.187	80%	0.801	S	S	*	*				0	12.3	0	-72.1	175.3	167.7	0	0	113.9
2	T	46.2	Very low	45.1	Very low	140 Å²	140	150.5 Å²	150.5	86%	0.859	80%	0.796	S	S	*	*			trans	-100.9	-0.9	-175.7	27.5	0	0	0	0	115.9	G4	T2-G4 PolarHBondContact O-N 3.24Å
3	K	45.3	Very low	46.4	Very low	217 Å²	217	145.8 Å²	145.8	94%	0.943	78%	0.777	S	S	*	*	S	Bend	trans	-83.4	15.8	175.1	-75	-170.4	173.6	-177.2	0	114.3
4	G	43.3	Very low	47.9	Very low	53 Å²	53	139.6 Å²	139.6	55%	0.546	75%	0.745	S	S	.	*			trans	-99.7	1.8	-169.1	0	0	0	0	0	117.3	T2	T2-G4 PolarHBondContact O-N 3.24Å
5	I	42.9	Very low	49.6	Very low	156 Å²	156	136.1 Å²	136.1	80%	0.8	73%	0.726	S	S	*	*	S	Bend	trans	-129.4	48.8	-165.9	-40.4	-179	0	0	0	112.1
6	M	37.5	Very low	51.1	Low	166 Å²	166	136.7 Å²	136.7	82%	0.818	72%	0.716	S	S	*	*			trans	-138.2	26.9	178.6	-77.4	-66.9	-77	0	0	113.8	S8	M6-S8 PolarHBondContact O-N 3.01Å
7	I	45	Very low	53.1	Low	143 Å²	143	133.4 Å²	133.4	73%	0.733	70%	0.699	S	S	*	*			trans	-86.9	-0.5	-172.5	-61	175	0	0	0	113
8	S	47.2	Very low	55	Low	114 Å²	114	131 Å²	131	80%	0.797	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	7.7	-164.5	-162.5	0	0	0	0	117.7	M6	M6-S8 PolarHBondContact O-N 3.01Å
9	N	43.5	Very low	56.9	Low	151 Å²	151	133.4 Å²	133.4	81%	0.807	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	30.5	-179.9	-89.6	-24	0	0	0	113.3
10	Y	44.7	Very low	58.5	Low	162 Å²	162	131.6 Å²	131.6	64%	0.635	67%	0.673	S	S	*	*			trans	-107.3	55.4	-155.4	-143.8	-72.5	0	0	0	113.4
11	T	54.8	Low	60	Low	112 Å²	112	128.2 Å²	128.2	69%	0.687	66%	0.659	S	S	*	*	S	Bend	trans	-141.3	-8.8	-164.6	53.9	0	0	0	0	120.9
12	M	51.9	Low	62.5	Low	151 Å²	151	120.5 Å²	120.5	74%	0.744	62%	0.621	S	S	*	*	S	Bend	trans	-144.2	-38.2	173.4	-73.5	-128.7	89.5	0	0	115.3	D14 Y16	M12-D14 VanDerWaalsContact C-N 3.35Å; M12-Y16 PolarHBondContact O-N 3.05Å
13	T	62.8	Low	64.8	Low	89 Å²	89	119 Å²	119	55%	0.546	61%	0.607	S	S	.	*	H	α-helix	trans	-66.6	-38.8	180	42.7	0	0	0	0	112.1	Y16 N17	T13-Y16 PolarHBondContact O-N 2.93Å; T13-N17 WeakPolarHBondContact O-CB 3.25Å; T13-N17 VanDerWaalsContact O-CG 3.26Å; T13-N17 PolarHBondContact O-N 2.77Å; T13-N17 PolarHBondContact O-ND2 3.18Å
14	D	67.4	Low	67.1	Low	60 Å²	60	112.1 Å²	112.1	32%	0.321	58%	0.58	S	S	.	*	H	α-helix	trans	-72.1	-39.1	-175.1	-56.9	-29.9	0	0	0	111.3	M12 N17 L18	M12-D14 VanDerWaalsContact C-N 3.35Å; D14-N17 PolarHBondContact O-N 3.41Å; D14-L18 WeakPolarHBondContact O-CB 3.44Å; D14-L18 PolarHBondContact O-N 2.85Å
15	D	73.2	Confident	69.6	Low	87 Å²	87	109.8 Å²	109.8	47%	0.465	56%	0.557	S	S	.	*	H	α-helix	trans	-62.2	-45.1	172.9	-77.6	-17.9	0	0	0	112	N17 L18 W19	D15-N17 VanDerWaalsContact C-N 3.35Å; D15-N17 PolarHBondContact O-N 2.85Å; D15-L18 PolarHBondContact O-N 3.47Å; D15-W19 PolarHBondContact O-N 3.34Å
16	Y	74	Confident	72.1	Confident	145 Å²	145	106.2 Å²	106.2	57%	0.569	54%	0.542	S	S	*	.	H	α-helix	trans	-64.6	-39.8	179	178.2	-120.6	0	0	0	112.1	M12 T13 K20	M12-Y16 PolarHBondContact O-N 3.05Å; T13-Y16 PolarHBondContact O-N 2.93Å; Y16-K20 HydrophobicContact CD1-CD 4.41Å; Y16-K20 HydrophobicContact CE1-CD 4.15Å; Y16-K20 VanDerWaalsContact CE1-CE 3.43Å; Y16-K20 VanDerWaalsContact CZ-NZ 3.34Å; Y16-K20 WeakPolarHBondContact O-CG 3.29Å; Y16-K20 PolarHBondContact O-N 2.79Å; Y16-K20 VanDerWaalsContact O-N 3.17Å; Y16-K20 VanDerWaalsContact OH-CE 3.24Å; Y16-K20 WeakPolarHBondContact OH-CE 3.49Å; Y16-K20 PolarHBondContact OH-NZ 3.46Å
17	N	84	Confident	74.9	Confident	80 Å²	80	103.3 Å²	103.3	43%	0.428	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-39.7	174	-70.3	-25.9	0	0	0	111.5	T13 D14 D15 K20 T21	T13-N17 WeakPolarHBondContact O-CB 3.25Å; T13-N17 VanDerWaalsContact O-CG 3.26Å; T13-N17 PolarHBondContact O-N 2.77Å; T13-N17 PolarHBondContact O-ND2 3.18Å; D14-N17 PolarHBondContact O-N 3.41Å; D15-N17 VanDerWaalsContact C-N 3.35Å; D15-N17 PolarHBondContact O-N 2.85Å; N17-K20 WeakPolarHBondContact O-CB 3.35Å; N17-K20 PolarHBondContact O-N 3.27Å; N17-T21 WeakPolarHBondContact O-CB 3.4Å; N17-T21 PolarHBondContact O-N 3.44Å; N17-T21 PolarHBondContact O-OG1 3.24Å
18	L	88	Confident	77.3	Confident	91 Å²	91	97.1 Å²	97.1	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-50	176.1	179.1	62.3	0	0	0	111.7	D14 D15 K20 T21 I22	D14-L18 WeakPolarHBondContact O-CB 3.44Å; D14-L18 PolarHBondContact O-N 2.85Å; D15-L18 PolarHBondContact O-N 3.47Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.69Å; L18-T21 PolarHBondContact O-N 2.93Å; L18-I22 HydrophobicContact CD1-CD1 3.91Å; L18-I22 HydrophobicContact CD1-CG1 4.2Å; L18-I22 HydrophobicContact CG-CD1 3.82Å; L18-I22 HydrophobicContact CG-CG1 4.49Å; L18-I22 WeakPolarHBondContact O-CB 3.42Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.25Å; L18-I22 PolarHBondContact O-N 3.05Å
19	W	90.5	Very high	79.7	Confident	176 Å²	176	95.7 Å²	95.7	67%	0.667	48%	0.48	S	S	*	.	H	α-helix	trans	-62.4	-36.3	177.4	-75.3	114.2	0	0	0	112.6	D15 I22 L23	D15-W19 PolarHBondContact O-N 3.34Å; W19-I22 HydrophobicContact CE3-CD1 4.38Å; W19-L23 VanDerWaalsContact O-CB 3.26Å; W19-L23 WeakPolarHBondContact O-CB 3.39Å; W19-L23 PolarHBondContact O-N 2.84Å
20	K	89.1	Confident	82.2	Confident	98 Å²	98	92 Å²	92	43%	0.426	46%	0.463	S	S	.	.	H	α-helix	trans	-61.2	-49.3	170.9	-82.4	173.1	164.4	175	0	112.1	Y16 N17 L18 L23 L24	Y16-K20 HydrophobicContact CD1-CD 4.41Å; Y16-K20 HydrophobicContact CE1-CD 4.15Å; Y16-K20 VanDerWaalsContact CE1-CE 3.43Å; Y16-K20 VanDerWaalsContact CZ-NZ 3.34Å; Y16-K20 WeakPolarHBondContact O-CG 3.29Å; Y16-K20 PolarHBondContact O-N 2.79Å; Y16-K20 VanDerWaalsContact O-N 3.17Å; Y16-K20 VanDerWaalsContact OH-CE 3.24Å; Y16-K20 WeakPolarHBondContact OH-CE 3.49Å; Y16-K20 PolarHBondContact OH-NZ 3.46Å; N17-K20 WeakPolarHBondContact O-CB 3.35Å; N17-K20 PolarHBondContact O-N 3.27Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.69Å; K20-L23 PolarHBondContact O-N 2.85Å; K20-L24 VanDerWaalsContact O-CB 3.28Å; K20-L24 WeakPolarHBondContact O-CB 3.37Å; K20-L24 PolarHBondContact O-N 3.42Å
21	T	89.4	Confident	84.6	Confident	61 Å²	61	84.9 Å²	84.9	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-64.7	-40	-179.3	-61.6	0	0	0	0	111.4	N17 L18 G25 L84	N17-T21 WeakPolarHBondContact O-CB 3.4Å; N17-T21 PolarHBondContact O-N 3.44Å; N17-T21 PolarHBondContact O-OG1 3.24Å; L18-T21 PolarHBondContact O-N 2.93Å; T21-G25 PolarHBondContact O-N 3.32Å; T21-L84 HydrophobicContact CG2-CB 4.41Å; T21-L84 HydrophobicContact CG2-CD2 3.83Å
22	I	93.1	Very high	86.6	Confident	78 Å²	78	80 Å²	80	40%	0.4	41%	0.409	S	S	.	.	H	α-helix	trans	-62.3	-50.1	172.9	-68.5	168.1	0	0	0	110.7	L18 W19 L24 G25 V26	L18-I22 HydrophobicContact CD1-CD1 3.91Å; L18-I22 HydrophobicContact CD1-CG1 4.2Å; L18-I22 HydrophobicContact CG-CD1 3.82Å; L18-I22 HydrophobicContact CG-CG1 4.49Å; L18-I22 WeakPolarHBondContact O-CB 3.42Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.25Å; L18-I22 PolarHBondContact O-N 3.05Å; W19-I22 HydrophobicContact CE3-CD1 4.38Å; I22-L24 PolarHBondContact O-N 3.19Å; I22-G25 PolarHBondContact O-N 3.44Å; I22-V26 WeakPolarHBondContact O-CG2 3.38Å; I22-V26 PolarHBondContact O-N 2.99Å
23	L	94.4	Very high	88.8	Confident	108 Å²	108	77.5 Å²	77.5	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-61.8	-44.3	-180	179.1	62.5	0	0	0	111.6	W19 K20 V26 L27	W19-L23 VanDerWaalsContact O-CB 3.26Å; W19-L23 WeakPolarHBondContact O-CB 3.39Å; W19-L23 PolarHBondContact O-N 2.84Å; K20-L23 PolarHBondContact O-N 2.85Å; L23-V26 PolarHBondContact O-N 3.31Å; L23-L27 HydrophobicContact CD1-CD1 4.35Å; L23-L27 HydrophobicContact CD1-CG 4.47Å; L23-L27 HydrophobicContact CG-CD1 4.16Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.5Å; L23-L27 PolarHBondContact O-N 3.44Å
24	L	93.1	Very high	90.4	Very high	73 Å²	73	78 Å²	78	38%	0.382	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-52.7	174.5	180	61	0	0	0	110.3	K20 I22 V26 L27 L28 T83 L84	K20-L24 VanDerWaalsContact O-CB 3.28Å; K20-L24 WeakPolarHBondContact O-CB 3.37Å; K20-L24 PolarHBondContact O-N 3.42Å; I22-L24 PolarHBondContact O-N 3.19Å; L24-V26 VanDerWaalsContact C-N 3.32Å; L24-V26 PolarHBondContact O-N 3.26Å; L24-L27 PolarHBondContact O-N 2.83Å; L24-L27 VanDerWaalsContact O-N 3.07Å; L24-L28 HydrophobicContact CD1-CD1 3.94Å; L24-L28 HydrophobicContact CD1-CD2 4.18Å; L24-L28 HydrophobicContact CD1-CG 3.92Å; L24-L28 HydrophobicContact CG-CD1 3.87Å; L24-L28 HydrophobicContact CG-CG 4.22Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.42Å; L24-L28 PolarHBondContact O-N 2.91Å; L24-T83 HydrophobicContact CD2-CG2 4.24Å; L24-L84 HydrophobicContact CB-CD2 4.43Å; L24-L84 HydrophobicContact CD2-CD2 4.24Å; L24-L84 HydrophobicContact CG-CD2 4.25Å
25	G	95.1	Very high	91.8	Very high	5 Å²	5	75.1 Å²	75.1	5%	0.052	38%	0.381	C	S	.	.	H	α-helix	trans	-54.4	-45.9	178.2	0	0	0	0	0	112.8	T21 I22 L28 I29	T21-G25 PolarHBondContact O-N 3.32Å; I22-G25 PolarHBondContact O-N 3.44Å; G25-L28 PolarHBondContact O-N 3.13Å; G25-I29 WeakPolarHBondContact O-CB 3.28Å; G25-I29 WeakPolarHBondContact O-CD1 3.33Å; G25-I29 WeakPolarHBondContact O-CG1 3.47Å; G25-I29 PolarHBondContact O-N 2.99Å
26	V	96.2	Very high	93	Very high	81 Å²	81	73.2 Å²	73.2	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-60.6	-46.2	175.1	170.6	0	0	0	0	111.7	I22 L23 L24 L28 I29 V30	I22-V26 WeakPolarHBondContact O-CG2 3.38Å; I22-V26 PolarHBondContact O-N 2.99Å; L23-V26 PolarHBondContact O-N 3.31Å; L24-V26 VanDerWaalsContact C-N 3.32Å; L24-V26 PolarHBondContact O-N 3.26Å; V26-L28 PolarHBondContact O-N 3.16Å; V26-I29 PolarHBondContact O-N 2.82Å; V26-V30 WeakPolarHBondContact O-CB 3.37Å; V26-V30 VanDerWaalsContact O-CG2 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.39Å
27	L	96	Very high	94.1	Very high	104 Å²	104	70 Å²	70	55%	0.545	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-42.7	178.4	-72.1	169.1	0	0	0	112.2	L23 L24 V30 A31	L23-L27 HydrophobicContact CD1-CD1 4.35Å; L23-L27 HydrophobicContact CD1-CG 4.47Å; L23-L27 HydrophobicContact CG-CD1 4.16Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.5Å; L23-L27 PolarHBondContact O-N 3.44Å; L24-L27 PolarHBondContact O-N 2.83Å; L24-L27 VanDerWaalsContact O-N 3.07Å; L27-V30 PolarHBondContact O-N 3.1Å; L27-A31 PolarHBondContact O-N 2.93Å
28	L	95.8	Very high	94.7	Very high	13 Å²	13	66.7 Å²	66.7	7%	0.068	35%	0.351	C	S	.	.	H	α-helix	trans	-70.1	-40.9	179.6	-59.6	179.2	0	0	0	112	L24 G25 V26 V30 A31 A32 I80 T83 W640	L24-L28 HydrophobicContact CD1-CD1 3.94Å; L24-L28 HydrophobicContact CD1-CD2 4.18Å; L24-L28 HydrophobicContact CD1-CG 3.92Å; L24-L28 HydrophobicContact CG-CD1 3.87Å; L24-L28 HydrophobicContact CG-CG 4.22Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.42Å; L24-L28 PolarHBondContact O-N 2.91Å; G25-L28 PolarHBondContact O-N 3.13Å; V26-L28 PolarHBondContact O-N 3.16Å; L28-V30 VanDerWaalsContact C-N 3.34Å; L28-V30 PolarHBondContact O-N 3.3Å; L28-A31 WeakPolarHBondContact O-CB 3.44Å; L28-A31 PolarHBondContact O-N 2.98Å; L28-A32 PolarHBondContact O-N 3.19Å; L28-I80 HydrophobicContact CB-CD1 4.09Å; L28-I80 HydrophobicContact CB-CG1 3.79Å; L28-I80 HydrophobicContact CD1-CG1 4.47Å; L28-T83 HydrophobicContact CD1-CG2 4.3Å; L28-W640 HydrophobicContact CB-CH2 4.26Å; L28-W640 HydrophobicContact CB-CZ2 4.5Å; L28-W640 HydrophobicContact CB-CZ3 4.44Å; L28-W640 HydrophobicContact CD1-CD2 4.43Å; L28-W640 HydrophobicContact CD1-CH2 4.31Å; L28-W640 HydrophobicContact CD1-CZ2 3.72Å; L28-W640 HydrophobicContact CD2-CD2 3.48Å; L28-W640 VanDerWaalsContact CD2-CD2 3.48Å; L28-W640 HydrophobicContact CD2-CE3 3.57Å; L28-W640 HydrophobicContact CD2-CG 4.02Å; L28-W640 HydrophobicContact CD2-CH2 4.19Å; L28-W640 HydrophobicContact CD2-CZ2 4.08Å; L28-W640 HydrophobicContact CD2-CZ3 3.93Å; L28-W640 HydrophobicContact CG-CH2 4.48Å; L28-W640 HydrophobicContact CG-CZ2 4.31Å
29	I	96.5	Very high	95.1	Very high	85 Å²	85	62.3 Å²	62.3	44%	0.436	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-42.9	173.6	-69.6	166.3	0	0	0	110.5	G25 V26 A31 A32 L33 I80	G25-I29 WeakPolarHBondContact O-CB 3.28Å; G25-I29 WeakPolarHBondContact O-CD1 3.33Å; G25-I29 WeakPolarHBondContact O-CG1 3.47Å; G25-I29 PolarHBondContact O-N 2.99Å; V26-I29 PolarHBondContact O-N 2.82Å; I29-A31 VanDerWaalsContact C-N 3.33Å; I29-A31 PolarHBondContact O-N 3.36Å; I29-A32 PolarHBondContact O-N 3.41Å; I29-L33 HydrophobicContact CG2-CD1 4.01Å; I29-L33 HydrophobicContact CG2-CG 4.38Å; I29-L33 WeakPolarHBondContact O-CG 3.36Å; I29-L33 PolarHBondContact O-N 3.15Å; I29-I80 HydrophobicContact CG1-CD1 3.92Å
30	V	96.5	Very high	95.5	Very high	72 Å²	72	56.5 Å²	56.5	44%	0.436	31%	0.311	S	S	.	.	H	α-helix	trans	-61.8	-40.9	175.2	168.4	0	0	0	0	111.2	V26 L27 L28 L33 L34	V26-V30 WeakPolarHBondContact O-CB 3.37Å; V26-V30 VanDerWaalsContact O-CG2 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.39Å; L27-V30 PolarHBondContact O-N 3.1Å; L28-V30 VanDerWaalsContact C-N 3.34Å; L28-V30 PolarHBondContact O-N 3.3Å; V30-L33 PolarHBondContact O-N 3.26Å; V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 HydrophobicContact CG1-CG 4.38Å; V30-L34 WeakPolarHBondContact O-CB 3.45Å; V30-L34 VanDerWaalsContact O-CG 3.25Å; V30-L34 WeakPolarHBondContact O-CG 3.34Å; V30-L34 PolarHBondContact O-N 3.23Å
31	A	95.8	Very high	95.8	Very high	14 Å²	14	54 Å²	54	12%	0.116	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-41.9	174.7	0	0	0	0	0	112.5	L27 L28 I29 L34 T35 C647	L27-A31 PolarHBondContact O-N 2.93Å; L28-A31 WeakPolarHBondContact O-CB 3.44Å; L28-A31 PolarHBondContact O-N 2.98Å; I29-A31 VanDerWaalsContact C-N 3.33Å; I29-A31 PolarHBondContact O-N 3.36Å; A31-L34 PolarHBondContact O-N 3.42Å; A31-T35 PolarHBondContact O-N 3.37Å; A31-T35 PolarHBondContact O-OG1 2.96Å; A31-C647 PolarHBondContact O-SG 2.93Å
32	A	96.9	Very high	96.1	Very high	9 Å²	9	51 Å²	51	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-47.4	174.9	0	0	0	0	0	112.2	L28 I29 L34 T35 I36 M76 I80	L28-A32 PolarHBondContact O-N 3.19Å; I29-A32 PolarHBondContact O-N 3.41Å; A32-L34 VanDerWaalsContact C-N 3.34Å; A32-L34 PolarHBondContact O-N 3.24Å; A32-T35 WeakPolarHBondContact O-CB 3.38Å; A32-T35 PolarHBondContact O-N 3.49Å; A32-T35 VanDerWaalsContact O-N 3.17Å; A32-I36 WeakPolarHBondContact O-CG1 3.22Å; A32-I36 PolarHBondContact O-N 2.92Å; A32-M76 VanDerWaalsContact CA-SD 3.57Å; A32-M76 HydrophobicContact CB-CB 4.04Å; A32-M76 HydrophobicContact CB-SD 3.93Å; A32-I80 HydrophobicContact CB-CD1 4.28Å
33	L	97	Very high	96.3	Very high	99 Å²	99	50.8 Å²	50.8	52%	0.518	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-38.5	177.4	-68.7	174.6	0	0	0	112.5	I29 V30 T37	I29-L33 HydrophobicContact CG2-CD1 4.01Å; I29-L33 HydrophobicContact CG2-CG 4.38Å; I29-L33 WeakPolarHBondContact O-CG 3.36Å; I29-L33 PolarHBondContact O-N 3.15Å; V30-L33 PolarHBondContact O-N 3.26Å; L33-T37 WeakPolarHBondContact O-CB 3.33Å; L33-T37 VanDerWaalsContact O-CG2 3.3Å; L33-T37 WeakPolarHBondContact O-CG2 3.36Å; L33-T37 PolarHBondContact O-N 3.26Å; L33-T37 PolarHBondContact O-OG1 3.21Å
34	L	96.6	Very high	96.3	Very high	99 Å²	99	49 Å²	49	52%	0.518	27%	0.271	S	S	.	.	H	α-helix	trans	-65.9	-38.9	174.2	-73	172.1	0	0	0	112.2	V30 A31 A32 G38	V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 HydrophobicContact CG1-CG 4.38Å; V30-L34 WeakPolarHBondContact O-CB 3.45Å; V30-L34 VanDerWaalsContact O-CG 3.25Å; V30-L34 WeakPolarHBondContact O-CG 3.34Å; V30-L34 PolarHBondContact O-N 3.23Å; A31-L34 PolarHBondContact O-N 3.42Å; A32-L34 VanDerWaalsContact C-N 3.34Å; A32-L34 PolarHBondContact O-N 3.24Å; L34-G38 PolarHBondContact O-N 3.08Å
35	T	97.2	Very high	96.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-52.1	174	-64.4	0	0	0	0	111.3	A31 A32 N39 D68 M76 C647	A31-T35 PolarHBondContact O-N 3.37Å; A31-T35 PolarHBondContact O-OG1 2.96Å; A32-T35 WeakPolarHBondContact O-CB 3.38Å; A32-T35 PolarHBondContact O-N 3.49Å; A32-T35 VanDerWaalsContact O-N 3.17Å; T35-N39 WeakPolarHBondContact O-CB 3.34Å; T35-N39 PolarHBondContact O-N 2.88Å; T35-N39 VanDerWaalsContact O-N 3.11Å; T35-N39 PolarHBondContact O-ND2 3.28Å; T35-D68 VanDerWaalsContact CG2-O 3.25Å; T35-D68 WeakPolarHBondContact CG2-O 3.35Å; T35-M76 HydrophobicContact CG2-CE 4.48Å; T35-M76 HydrophobicContact CG2-SD 4.32Å; T35-M76 WeakPolarHBondContact OG1-CE 3.46Å; T35-C647 PolarHBondContact OG1-SG 2.82Å
36	I	97.9	Very high	96.3	Very high	47 Å²	47	46 Å²	46	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-56.2	-178.4	-62.1	165.3	0	0	0	110	A32 G38 N39 V40 L69 G72 I73	A32-I36 WeakPolarHBondContact O-CG1 3.22Å; A32-I36 PolarHBondContact O-N 2.92Å; I36-G38 PolarHBondContact O-N 3.21Å; I36-N39 PolarHBondContact O-N 3.13Å; I36-V40 HydrophobicContact CG2-CG2 4.26Å; I36-V40 WeakPolarHBondContact O-CB 3.24Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.38Å; I36-V40 PolarHBondContact O-N 3.24Å; I36-L69 HydrophobicContact CG2-CD2 4.35Å; I36-G72 WeakPolarHBondContact CD1-O 3.46Å; I36-I73 HydrophobicContact CD1-CG1 4.31Å; I36-I73 HydrophobicContact CG1-CG1 4.05Å
37	T	96.7	Very high	96.2	Very high	77 Å²	77	46.6 Å²	46.6	47%	0.472	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-41.5	-175.4	55.6	0	0	0	0	112.4	L33 L41	L33-T37 WeakPolarHBondContact O-CB 3.33Å; L33-T37 VanDerWaalsContact O-CG2 3.3Å; L33-T37 WeakPolarHBondContact O-CG2 3.36Å; L33-T37 PolarHBondContact O-N 3.26Å; L33-T37 PolarHBondContact O-OG1 3.21Å; T37-L41 VanDerWaalsContact O-CG 3.26Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 2.91Å
38	G	96.6	Very high	96	Very high	10 Å²	10	46.9 Å²	46.9	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-45.3	178.2	0	0	0	0	0	112.9	L34 I36 L41 V42 P650	L34-G38 PolarHBondContact O-N 3.08Å; I36-G38 PolarHBondContact O-N 3.21Å; G38-L41 WeakPolarHBondContact O-CB 3.46Å; G38-L41 PolarHBondContact O-N 3.21Å; G38-V42 WeakPolarHBondContact O-CG2 3.2Å; G38-V42 PolarHBondContact O-N 3.41Å; G38-P650 WeakPolarHBondContact O-CG 3.29Å
39	N	97.3	Very high	95.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-80.6	-30.1	-177.5	-69.8	-62.5	0	0	0	113	T35 I36 L41 V42 F43 A65 D68 L69 S646 P650	T35-N39 WeakPolarHBondContact O-CB 3.34Å; T35-N39 PolarHBondContact O-N 2.88Å; T35-N39 VanDerWaalsContact O-N 3.11Å; T35-N39 PolarHBondContact O-ND2 3.28Å; I36-N39 PolarHBondContact O-N 3.13Å; N39-L41 VanDerWaalsContact C-N 3.3Å; N39-L41 PolarHBondContact O-N 3.49Å; N39-V42 WeakPolarHBondContact O-CB 3.21Å; N39-V42 PolarHBondContact O-N 3.27Å; N39-F43 PolarHBondContact O-N 2.73Å; N39-A65 HydrophobicContact CB-CB 4.13Å; N39-D68 HydrophobicContact CB-CB 4.47Å; N39-L69 HydrophobicContact CB-CD1 4.38Å; N39-L69 HydrophobicContact CB-CD2 3.98Å; N39-L69 HydrophobicContact CB-CG 3.76Å; N39-S646 PolarHBondContact ND2-O 3.34Å; N39-P650 WeakPolarHBondContact OD1-CG 3.4Å
40	V	97.3	Very high	95.2	Very high	53 Å²	53	53.1 Å²	53.1	32%	0.321	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-42.6	164.8	167	0	0	0	0	110.7	I36 V42 F43 I44 L69	I36-V40 HydrophobicContact CG2-CG2 4.26Å; I36-V40 WeakPolarHBondContact O-CB 3.24Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.38Å; I36-V40 PolarHBondContact O-N 3.24Å; V40-V42 VanDerWaalsContact C-N 3.35Å; V40-V42 PolarHBondContact O-N 3.49Å; V40-F43 PolarHBondContact O-N 3.26Å; V40-I44 HydrophobicContact CG1-CD1 3.52Å; V40-I44 HydrophobicContact CG1-CG1 4.14Å; V40-I44 WeakPolarHBondContact O-CB 3.31Å; V40-I44 WeakPolarHBondContact O-CG1 3.33Å; V40-I44 PolarHBondContact O-N 2.92Å; V40-L69 HydrophobicContact CG2-CD1 4.41Å; V40-L69 HydrophobicContact CG2-CD2 3.77Å
41	L	96	Very high	94.7	Very high	45 Å²	45	53.1 Å²	53.1	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-37.7	176	-75.1	167.6	0	0	0	112.7	T37 G38 N39 A45 F664 L667 L668	T37-L41 VanDerWaalsContact O-CG 3.26Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 2.91Å; G38-L41 WeakPolarHBondContact O-CB 3.46Å; G38-L41 PolarHBondContact O-N 3.21Å; N39-L41 VanDerWaalsContact C-N 3.3Å; N39-L41 PolarHBondContact O-N 3.49Å; L41-A45 WeakPolarHBondContact O-CB 3.45Å; L41-A45 PolarHBondContact O-N 2.87Å; L41-F664 HydrophobicContact CB-CD1 4.44Å; L41-F664 HydrophobicContact CB-CE1 4.17Å; L41-F664 WeakPolarHBondContact O-CE1 3.33Å; L41-L667 HydrophobicContact CD2-CB 4.46Å; L41-L667 HydrophobicContact CD2-CD1 4.16Å; L41-L668 HydrophobicContact CD1-CD2 4.16Å; L41-L668 HydrophobicContact CD2-CD2 4.11Å
42	V	96.3	Very high	94.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-48.7	173.1	174.5	0	0	0	0	110.8	G38 N39 V40 A45 F46 V62 A65 P650 Y653 F660 F664	G38-V42 WeakPolarHBondContact O-CG2 3.2Å; G38-V42 PolarHBondContact O-N 3.41Å; N39-V42 WeakPolarHBondContact O-CB 3.21Å; N39-V42 PolarHBondContact O-N 3.27Å; V40-V42 VanDerWaalsContact C-N 3.35Å; V40-V42 PolarHBondContact O-N 3.49Å; V42-A45 PolarHBondContact O-N 3.39Å; V42-F46 PolarHBondContact O-N 2.98Å; V42-V62 HydrophobicContact CG1-CG2 4.29Å; V42-A65 HydrophobicContact CB-CB 3.94Å; V42-A65 HydrophobicContact CG1-CB 3.65Å; V42-P650 HydrophobicContact CG2-CB 4.44Å; V42-P650 HydrophobicContact CG2-CG 4.3Å; V42-Y653 HydrophobicContact CG2-CD2 3.66Å; V42-Y653 HydrophobicContact CG2-CE2 4.05Å; V42-F660 HydrophobicContact CG1-CE1 3.9Å; V42-F660 HydrophobicContact CG1-CZ 4.43Å; V42-F664 HydrophobicContact CG2-CE1 4.45Å; V42-F664 HydrophobicContact CG2-CZ 3.84Å
43	F	96.2	Very high	93.8	Very high	73 Å²	73	55.6 Å²	55.6	32%	0.32	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-50.2	179.8	-173.5	-102.9	0	0	0	112	N39 V40 A45 F46 L47 V62 I66	N39-F43 PolarHBondContact O-N 2.73Å; V40-F43 PolarHBondContact O-N 3.26Å; F43-A45 VanDerWaalsContact C-N 3.34Å; F43-A45 PolarHBondContact O-N 3.33Å; F43-F46 PolarHBondContact O-N 3.03Å; F43-L47 HydrophobicContact CD1-CD1 3.87Å; F43-L47 HydrophobicContact CD1-CG 4.37Å; F43-L47 HydrophobicContact CE1-CD1 3.39Å; F43-L47 HydrophobicContact CE1-CG 4.12Å; F43-L47 HydrophobicContact CZ-CD1 3.92Å; F43-L47 HydrophobicContact CZ-CG 4.36Å; F43-L47 PolarHBondContact O-N 3.07Å; F43-V62 HydrophobicContact CD2-CG1 3.75Å; F43-V62 HydrophobicContact CE2-CG1 4.26Å; F43-I66 HydrophobicContact CD2-CD1 4.32Å; F43-I66 HydrophobicContact CD2-CG1 4.21Å; F43-I66 HydrophobicContact CE2-CD1 4.07Å; F43-I66 HydrophobicContact CE2-CG1 4.34Å
44	I	95.1	Very high	93.2	Very high	71 Å²	71	57.7 Å²	57.7	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-41.2	177.3	-67.5	174.6	0	0	0	111.2	V40 F46 L47 R48 L667	V40-I44 HydrophobicContact CG1-CD1 3.52Å; V40-I44 HydrophobicContact CG1-CG1 4.14Å; V40-I44 WeakPolarHBondContact O-CB 3.31Å; V40-I44 WeakPolarHBondContact O-CG1 3.33Å; V40-I44 PolarHBondContact O-N 2.92Å; I44-F46 VanDerWaalsContact C-N 3.28Å; I44-F46 PolarHBondContact O-N 2.93Å; I44-L47 PolarHBondContact O-N 3.26Å; I44-R48 VanDerWaalsContact O-CB 3.23Å; I44-R48 WeakPolarHBondContact O-CB 3.31Å; I44-R48 PolarHBondContact O-N 3.34Å; I44-L667 HydrophobicContact CB-CD1 4.36Å; I44-L667 HydrophobicContact CG2-CD1 3.91Å; I44-L667 HydrophobicContact CG2-CD2 3.81Å
45	A	94.1	Very high	92.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-40.6	177.3	0	0	0	0	0	112.1	L41 V42 F43 E49 F660 A663 F664 L667	L41-A45 WeakPolarHBondContact O-CB 3.45Å; L41-A45 PolarHBondContact O-N 2.87Å; V42-A45 PolarHBondContact O-N 3.39Å; F43-A45 VanDerWaalsContact C-N 3.34Å; F43-A45 PolarHBondContact O-N 3.33Å; A45-E49 VanDerWaalsContact O-CB 3.31Å; A45-E49 WeakPolarHBondContact O-CB 3.38Å; A45-E49 PolarHBondContact O-N 3.24Å; A45-F660 HydrophobicContact CB-CD1 4.44Å; A45-A663 HydrophobicContact CB-CB 3.75Å; A45-F664 HydrophobicContact CB-CD1 4.14Å; A45-F664 HydrophobicContact CB-CE1 3.91Å; A45-L667 HydrophobicContact CB-CD1 4.03Å
46	F	94.7	Very high	92	Very high	13 Å²	13	55.9 Å²	55.9	6%	0.057	26%	0.258	C	S	.	.	H	α-helix	trans	-71.4	-42.2	177.4	174.6	-93.2	0	0	0	113.4	V42 F43 I44 R48 M52 R53 N58 W59 V62	V42-F46 PolarHBondContact O-N 2.98Å; F43-F46 PolarHBondContact O-N 3.03Å; I44-F46 VanDerWaalsContact C-N 3.28Å; I44-F46 PolarHBondContact O-N 2.93Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-M52 HydrophobicContact CD2-CB 4.43Å; F46-R53 HydrophobicContact CD1-CG 4.26Å; F46-R53 HydrophobicContact CD2-CG 4.01Å; F46-R53 HydrophobicContact CE1-CG 3.99Å; F46-R53 HydrophobicContact CE2-CB 4.25Å; F46-R53 HydrophobicContact CE2-CG 3.75Å; F46-R53 HydrophobicContact CG-CG 4.27Å; F46-R53 HydrophobicContact CZ-CB 4.34Å; F46-R53 HydrophobicContact CZ-CG 3.73Å; F46-R53 WeakPolarHBondContact O-CG 3.41Å; F46-R53 PolarHBondContact O-NH1 2.94Å; F46-N58 HydrophobicContact CD2-CB 4.29Å; F46-N58 HydrophobicContact CE2-CB 4.46Å; F46-W59 AromaticContact CE2-CD1 3.94Å; F46-W59 HydrophobicContact CE2-CD2 4.13Å; F46-W59 HydrophobicContact CE2-CG 4.05Å; F46-W59 AromaticContact CE2-NE1 3.97Å; F46-W59 AromaticContact CZ-CD2 3.58Å; F46-W59 HydrophobicContact CZ-CD2 3.58Å; F46-W59 AromaticContact CZ-CE2 3.57Å; F46-W59 AromaticContact CZ-CE3 3.88Å; F46-W59 HydrophobicContact CZ-CE3 3.88Å; F46-W59 AromaticContact CZ-CG 3.98Å; F46-W59 HydrophobicContact CZ-CG 3.98Å; F46-W59 HydrophobicContact CZ-CH2 4.17Å; F46-W59 AromaticContact CZ-CZ2 3.89Å; F46-W59 HydrophobicContact CZ-CZ2 3.89Å; F46-W59 HydrophobicContact CZ-CZ3 4.17Å; F46-W59 AromaticContact CZ-NE1 3.93Å; F46-V62 HydrophobicContact CB-CG2 3.47Å; F46-V62 VanDerWaalsContact CB-CG2 3.47Å; F46-V62 HydrophobicContact CD1-CG1 4.27Å; F46-V62 HydrophobicContact CD1-CG2 4.13Å; F46-V62 HydrophobicContact CD2-CG2 3.76Å; F46-V62 HydrophobicContact CE2-CG2 4.46Å; F46-V62 HydrophobicContact CG-CB 4.46Å; F46-V62 HydrophobicContact CG-CG2 3.55Å
47	L	93.8	Very high	91.5	Very high	93 Å²	93	53.7 Å²	53.7	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-39.7	175.7	-69.8	-173.4	0	0	0	112	F43 I44 R53	F43-L47 HydrophobicContact CD1-CD1 3.87Å; F43-L47 HydrophobicContact CD1-CG 4.37Å; F43-L47 HydrophobicContact CE1-CD1 3.39Å; F43-L47 HydrophobicContact CE1-CG 4.12Å; F43-L47 HydrophobicContact CZ-CD1 3.92Å; F43-L47 HydrophobicContact CZ-CG 4.36Å; F43-L47 PolarHBondContact O-N 3.07Å; I44-L47 PolarHBondContact O-N 3.26Å; L47-R53 VanDerWaalsContact C-NH1 3.31Å; L47-R53 PolarHBondContact O-NH1 3.18Å
48	R	91	Very high	91.2	Very high	111 Å²	111	50.1 Å²	50.1	42%	0.419	23%	0.225	S	C	.	.	H	α-helix	trans	-74.2	-48.2	-178.8	-169.6	173.9	-174.5	158.5	7.4	112.8	I44 F46 R50 L667	I44-R48 VanDerWaalsContact O-CB 3.23Å; I44-R48 WeakPolarHBondContact O-CB 3.31Å; I44-R48 PolarHBondContact O-N 3.34Å; F46-R48 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 3.07Å; R48-L667 VanDerWaalsContact CD-CD2 3.47Å
49	E	89.1	Confident	91.1	Very high	24 Å²	24	52.8 Å²	52.8	11%	0.112	23%	0.232	C	C	.	.			trans	-90.6	102.2	-168.1	-66.4	-74.3	-157.9	0	0	112.7	A45 Y51 M52 A663 R666	A45-E49 VanDerWaalsContact O-CB 3.31Å; A45-E49 WeakPolarHBondContact O-CB 3.38Å; A45-E49 PolarHBondContact O-N 3.24Å; E49-Y51 HydrophobicContact CB-CD1 4Å; E49-Y51 HydrophobicContact CB-CE1 3.66Å; E49-Y51 VanDerWaalsContact CD-CE1 3.41Å; E49-Y51 HydrophobicContact CG-CE1 3.82Å; E49-Y51 PolarHBondContact O-N 3.04Å; E49-Y51 WeakPolarHBondContact OE2-CE1 3.47Å; E49-M52 HydrophobicContact CB-CB 4.22Å; E49-M52 HydrophobicContact CB-CG 3.58Å; E49-M52 HydrophobicContact CG-CG 4.5Å; E49-M52 WeakPolarHBondContact O-CB 3.49Å; E49-M52 PolarHBondContact O-N 3.22Å; E49-A663 HydrophobicContact CG-CB 4.01Å; E49-R666 VanDerWaalsContact CD-NH1 3.35Å; E49-R666 WeakPolarHBondContact OE1-CD 3.46Å; E49-R666 IonicContact OE1-CZ 3.64Å; E49-R666 IonicContact OE1-NE 2.76Å; E49-R666 IonicContact OE1-NH1 2.71Å; E49-R666 PolarHBondContact OE1-NH1 3.45Å; E49-R666 IonicContact OE2-NH1 3.74Å; E49-R666 PolarHBondContact OE2-NH1 3.28Å
50	R	87.2	Confident	90.9	Very high	204 Å²	204	52.9 Å²	52.9	77%	0.77	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.2	179.5	-67.9	-175.2	-179.2	-170.2	-0.1	114	R48	R48-R50 PolarHBondContact O-N 3.07Å
51	Y	85.4	Confident	90.8	Very high	72 Å²	72	50.4 Å²	50.4	28%	0.282	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-33.1	177.3	71.3	-95.3	0	0	0	112.7	E49 R53 K54 E659	E49-Y51 HydrophobicContact CB-CD1 4Å; E49-Y51 HydrophobicContact CB-CE1 3.66Å; E49-Y51 VanDerWaalsContact CD-CE1 3.41Å; E49-Y51 HydrophobicContact CG-CE1 3.82Å; E49-Y51 PolarHBondContact O-N 3.04Å; E49-Y51 WeakPolarHBondContact OE2-CE1 3.47Å; Y51-R53 VanDerWaalsContact C-N 3.31Å; Y51-R53 PolarHBondContact O-N 2.98Å; Y51-K54 WeakPolarHBondContact O-CB 3.46Å; Y51-K54 PolarHBondContact O-N 3.26Å; Y51-K54 VanDerWaalsContact O-N 3.16Å; Y51-E659 HydrophobicContact CE2-CB 4.21Å; Y51-E659 PolarHBondContact OH-O 3.42Å
52	M	86.5	Confident	90.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60.8	-42.4	178.8	-67.5	-67.8	-114.7	0	0	111.1	F46 E49 K54 N55 N58 E659 F660 A663	F46-M52 HydrophobicContact CD2-CB 4.43Å; E49-M52 HydrophobicContact CB-CB 4.22Å; E49-M52 HydrophobicContact CB-CG 3.58Å; E49-M52 HydrophobicContact CG-CG 4.5Å; E49-M52 WeakPolarHBondContact O-CB 3.49Å; E49-M52 PolarHBondContact O-N 3.22Å; M52-K54 PolarHBondContact O-N 2.89Å; M52-K54 VanDerWaalsContact O-N 3.13Å; M52-N55 PolarHBondContact O-N 3.35Å; M52-N55 VanDerWaalsContact O-N 3.12Å; M52-N58 PolarHBondContact O-ND2 2.93Å; M52-N58 PolarHBondContact SD-ND2 2.9Å; M52-E659 HydrophobicContact CE-CB 4.03Å; M52-E659 HydrophobicContact SD-CB 3.62Å; M52-F660 HydrophobicContact CE-CB 4.21Å; M52-F660 HydrophobicContact CE-CD1 3.48Å; M52-F660 VanDerWaalsContact CE-CD1 3.48Å; M52-F660 HydrophobicContact CE-CD2 3.72Å; M52-F660 HydrophobicContact CE-CE1 3.6Å; M52-F660 HydrophobicContact CE-CE2 3.83Å; M52-F660 HydrophobicContact CE-CG 3.54Å; M52-F660 HydrophobicContact CE-CZ 3.78Å; M52-A663 HydrophobicContact CE-CB 4.39Å
53	R	88.6	Confident	90.8	Very high	76 Å²	76	49 Å²	49	29%	0.287	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-65.9	-12.6	180	-56.6	-162	-73.2	-81.7	23.2	114.6	F46 L47 Y51 W59	F46-R53 HydrophobicContact CD1-CG 4.26Å; F46-R53 HydrophobicContact CD2-CG 4.01Å; F46-R53 HydrophobicContact CE1-CG 3.99Å; F46-R53 HydrophobicContact CE2-CB 4.25Å; F46-R53 HydrophobicContact CE2-CG 3.75Å; F46-R53 HydrophobicContact CG-CG 4.27Å; F46-R53 HydrophobicContact CZ-CB 4.34Å; F46-R53 HydrophobicContact CZ-CG 3.73Å; F46-R53 WeakPolarHBondContact O-CG 3.41Å; F46-R53 PolarHBondContact O-NH1 2.94Å; L47-R53 VanDerWaalsContact C-NH1 3.31Å; L47-R53 PolarHBondContact O-NH1 3.18Å; Y51-R53 VanDerWaalsContact C-N 3.31Å; Y51-R53 PolarHBondContact O-N 2.98Å; R53-W59 PolarHBondContact O-NE1 3.03Å
54	K	83.6	Confident	90.8	Very high	142 Å²	142	45.5 Å²	45.5	62%	0.617	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-78.6	-24.8	174.3	-63.2	-175.8	178	-177.9	0	112.7	Y51 M52	Y51-K54 WeakPolarHBondContact O-CB 3.46Å; Y51-K54 PolarHBondContact O-N 3.26Å; Y51-K54 VanDerWaalsContact O-N 3.16Å; M52-K54 PolarHBondContact O-N 2.89Å; M52-K54 VanDerWaalsContact O-N 3.13Å
55	N	83.3	Confident	90.9	Very high	39 Å²	39	42.1 Å²	42.1	21%	0.209	18%	0.178	C	C	.	.	S	Bend	trans	-90.8	113.9	178.8	-178.9	-5.6	0	0	0	109.5	M52 T57 N58 E659	M52-N55 PolarHBondContact O-N 3.35Å; M52-N55 VanDerWaalsContact O-N 3.12Å; N55-T57 PolarHBondContact O-N 3.35Å; N55-T57 WeakPolarHBondContact OD1-CB 3.41Å; N55-T57 PolarHBondContact OD1-N 3.4Å; N55-T57 VanDerWaalsContact OD1-N 3.15Å; N55-T57 PolarHBondContact OD1-OG1 2.9Å; N55-N58 PolarHBondContact ND2-OD1 3.08Å; N55-N58 WeakPolarHBondContact O-CB 3.35Å; N55-N58 PolarHBondContact O-N 3.11Å; N55-E659 PolarHBondContact ND2-OE2 3.25Å
56	L	85.3	Confident	91	Very high	22 Å²	22	45.1 Å²	45.1	12%	0.115	19%	0.194	C	C	.	.	H	α-helix	trans	-57.4	-33.9	-178.7	-95.7	71.1	0	0	0	112.8	N58 W59 R135 R137 C140	L56-N58 PolarHBondContact O-N 3.16Å; L56-W59 WeakPolarHBondContact O-CB 3.43Å; L56-W59 PolarHBondContact O-N 3.41Å; L56-W59 VanDerWaalsContact O-N 3.09Å; L56-R135 VanDerWaalsContact CB-NH2 3.34Å; L56-R135 HydrophobicContact CD2-CB 3.96Å; L56-R135 HydrophobicContact CD2-CG 4.29Å; L56-R137 HydrophobicContact CD1-CG 4.49Å; L56-C140 HydrophobicContact CD2-CB 3.81Å; L56-C140 HydrophobicContact CG-CB 4.03Å
57	T	87.4	Confident	91.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-54.3	-39.8	176.7	-32.5	0	0	0	0	111.8	N55 W59 F60 L61 R121 L597	N55-T57 PolarHBondContact O-N 3.35Å; N55-T57 WeakPolarHBondContact OD1-CB 3.41Å; N55-T57 PolarHBondContact OD1-N 3.4Å; N55-T57 VanDerWaalsContact OD1-N 3.15Å; N55-T57 PolarHBondContact OD1-OG1 2.9Å; T57-W59 PolarHBondContact O-N 3.22Å; T57-F60 PolarHBondContact O-N 2.08Å; T57-L61 HydrophobicContact CG2-CD1 4.45Å; T57-L61 HydrophobicContact CG2-CG 4.49Å; T57-L61 WeakPolarHBondContact O-CG 3.37Å; T57-L61 PolarHBondContact O-N 3.32Å; T57-R121 VanDerWaalsContact CG2-NH2 3.25Å; T57-R121 PolarHBondContact OG1-NH2 3.43Å; T57-L597 HydrophobicContact CG2-CD1 4.15Å
58	N	91.1	Very high	91.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	17%	0.168	C	C	.	.	H	α-helix	trans	-69.7	-19.5	-174	-61.8	-5.7	0	0	0	111.7	F46 M52 N55 L56 V62	F46-N58 HydrophobicContact CD2-CB 4.29Å; F46-N58 HydrophobicContact CE2-CB 4.46Å; M52-N58 PolarHBondContact O-ND2 2.93Å; M52-N58 PolarHBondContact SD-ND2 2.9Å; N55-N58 PolarHBondContact ND2-OD1 3.08Å; N55-N58 WeakPolarHBondContact O-CB 3.35Å; N55-N58 PolarHBondContact O-N 3.11Å; L56-N58 PolarHBondContact O-N 3.16Å; N58-V62 WeakPolarHBondContact O-CB 3.41Å; N58-V62 WeakPolarHBondContact O-CG2 3.47Å; N58-V62 PolarHBondContact O-N 2.59Å
59	W	93.5	Very high	91.6	Very high	66 Å²	66	35.9 Å²	35.9	25%	0.25	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-43.1	170.3	-68.8	74.5	0	0	0	111.4	F46 R53 L56 T57 V62 S63 L141 L144	F46-W59 AromaticContact CE2-CD1 3.94Å; F46-W59 HydrophobicContact CE2-CD2 4.13Å; F46-W59 HydrophobicContact CE2-CG 4.05Å; F46-W59 AromaticContact CE2-NE1 3.97Å; F46-W59 AromaticContact CZ-CD2 3.58Å; F46-W59 HydrophobicContact CZ-CD2 3.58Å; F46-W59 AromaticContact CZ-CE2 3.57Å; F46-W59 AromaticContact CZ-CE3 3.88Å; F46-W59 HydrophobicContact CZ-CE3 3.88Å; F46-W59 AromaticContact CZ-CG 3.98Å; F46-W59 HydrophobicContact CZ-CG 3.98Å; F46-W59 HydrophobicContact CZ-CH2 4.17Å; F46-W59 AromaticContact CZ-CZ2 3.89Å; F46-W59 HydrophobicContact CZ-CZ2 3.89Å; F46-W59 HydrophobicContact CZ-CZ3 4.17Å; F46-W59 AromaticContact CZ-NE1 3.93Å; R53-W59 PolarHBondContact O-NE1 3.03Å; L56-W59 WeakPolarHBondContact O-CB 3.43Å; L56-W59 PolarHBondContact O-N 3.41Å; L56-W59 VanDerWaalsContact O-N 3.09Å; T57-W59 PolarHBondContact O-N 3.22Å; W59-V62 PolarHBondContact O-N 2.9Å; W59-S63 PolarHBondContact O-N 3.4Å; W59-L141 HydrophobicContact CE3-CD2 4.16Å; W59-L141 HydrophobicContact CZ3-CD2 4.03Å; W59-L144 HydrophobicContact CB-CD1 4.28Å
60	F	93.8	Very high	92	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-39.8	174.7	-65.1	-75.9	0	0	0	112.6	T57 V62 S63 L64 A116 I117 E120 C140 M143 L144	T57-F60 PolarHBondContact O-N 2.08Å; F60-V62 PolarHBondContact O-N 3.35Å; F60-S63 PolarHBondContact O-N 3.32Å; F60-L64 WeakPolarHBondContact O-CB 3.39Å; F60-L64 PolarHBondContact O-N 2.97Å; F60-A116 HydrophobicContact CD1-CB 3.86Å; F60-A116 HydrophobicContact CE1-CB 3.67Å; F60-I117 HydrophobicContact CB-CD1 4Å; F60-I117 HydrophobicContact CB-CG1 3.47Å; F60-I117 VanDerWaalsContact CB-CG1 3.47Å; F60-I117 HydrophobicContact CG-CG1 4.11Å; F60-E120 HydrophobicContact CE2-CB 4.22Å; F60-E120 HydrophobicContact CE2-CG 4.19Å; F60-C140 WeakPolarHBondContact CE2-SG 3.41Å; F60-M143 HydrophobicContact CE1-CB 4.01Å; F60-M143 HydrophobicContact CE1-CE 4.33Å; F60-M143 HydrophobicContact CZ-CB 4.12Å; F60-M143 HydrophobicContact CZ-CE 4.03Å; F60-M143 HydrophobicContact CZ-SD 3.99Å; F60-L144 HydrophobicContact CD1-CD2 3.42Å; F60-L144 VanDerWaalsContact CD1-CD2 3.42Å; F60-L144 HydrophobicContact CD1-CG 4.12Å; F60-L144 HydrophobicContact CE1-CD2 3.75Å; F60-L144 HydrophobicContact CE1-CG 4.02Å; F60-L144 HydrophobicContact CG-CD2 4.32Å
61	L	94.3	Very high	92.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-30	176.2	-61.1	177.6	0	0	0	112.8	T57 A65 I117 L597 Y653 M657 F660	T57-L61 HydrophobicContact CG2-CD1 4.45Å; T57-L61 HydrophobicContact CG2-CG 4.49Å; T57-L61 WeakPolarHBondContact O-CG 3.37Å; T57-L61 PolarHBondContact O-N 3.32Å; L61-A65 PolarHBondContact O-N 2.87Å; L61-I117 HydrophobicContact CD2-CD1 3.94Å; L61-L597 HydrophobicContact CD2-CD2 3.92Å; L61-Y653 HydrophobicContact CD1-CE1 4.2Å; L61-Y653 HydrophobicContact CD2-CE1 3.78Å; L61-Y653 HydrophobicContact CG-CE1 4.42Å; L61-M657 HydrophobicContact CD1-CE 3.9Å; L61-M657 HydrophobicContact CD1-SD 3.74Å; L61-F660 HydrophobicContact CB-CZ 4.48Å; L61-F660 HydrophobicContact CD1-CE2 3.75Å; L61-F660 HydrophobicContact CD1-CZ 4.29Å
62	V	95.4	Very high	93	Very high	8 Å²	8	23.6 Å²	23.6	5%	0.048	11%	0.109	C	C	.	.	H	α-helix	trans	-79.3	-36.2	175.4	169.9	0	0	0	0	111.6	V42 F43 F46 N58 W59 F60 L64 A65 I66	V42-V62 HydrophobicContact CG1-CG2 4.29Å; F43-V62 HydrophobicContact CD2-CG1 3.75Å; F43-V62 HydrophobicContact CE2-CG1 4.26Å; F46-V62 HydrophobicContact CB-CG2 3.47Å; F46-V62 VanDerWaalsContact CB-CG2 3.47Å; F46-V62 HydrophobicContact CD1-CG1 4.27Å; F46-V62 HydrophobicContact CD1-CG2 4.13Å; F46-V62 HydrophobicContact CD2-CG2 3.76Å; F46-V62 HydrophobicContact CE2-CG2 4.46Å; F46-V62 HydrophobicContact CG-CB 4.46Å; F46-V62 HydrophobicContact CG-CG2 3.55Å; N58-V62 WeakPolarHBondContact O-CB 3.41Å; N58-V62 WeakPolarHBondContact O-CG2 3.47Å; N58-V62 PolarHBondContact O-N 2.59Å; W59-V62 PolarHBondContact O-N 2.9Å; F60-V62 PolarHBondContact O-N 3.35Å; V62-L64 VanDerWaalsContact C-N 3.33Å; V62-A65 PolarHBondContact O-N 3.08Å; V62-I66 HydrophobicContact CG1-CD1 4.36Å; V62-I66 WeakPolarHBondContact O-CG1 3.5Å; V62-I66 PolarHBondContact O-N 3.08Å
63	S	96.9	Very high	93.5	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.049	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-41.8	170.1	-178.7	0	0	0	0	111.7	W59 F60 I66 A67 N113 L144 W148	W59-S63 PolarHBondContact O-N 3.4Å; F60-S63 PolarHBondContact O-N 3.32Å; S63-I66 WeakPolarHBondContact O-CB 3.35Å; S63-I66 PolarHBondContact O-N 3.03Å; S63-A67 PolarHBondContact O-N 3.44Å; S63-N113 WeakPolarHBondContact CB-OD1 3.38Å; S63-N113 PolarHBondContact OG-ND2 3.1Å; S63-N113 PolarHBondContact OG-OD1 3.08Å; S63-L144 VanDerWaalsContact CB-CD2 3.47Å; S63-L144 WeakPolarHBondContact OG-CD2 3.35Å; S63-W148 PolarHBondContact OG-NE1 3.01Å
64	L	95.9	Very high	93.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-44.7	171.5	-177.3	59.7	0	0	0	111.6	F60 V62 I66 A67 D68 S110 N113 L114	F60-L64 WeakPolarHBondContact O-CB 3.39Å; F60-L64 PolarHBondContact O-N 2.97Å; V62-L64 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.27Å; L64-A67 WeakPolarHBondContact O-CB 3.1Å; L64-A67 PolarHBondContact O-N 2.95Å; L64-A67 VanDerWaalsContact O-N 3.11Å; L64-D68 VanDerWaalsContact O-CG 3.32Å; L64-D68 PolarHBondContact O-N 3.26Å; L64-S110 WeakPolarHBondContact CD1-OG 3.31Å; L64-N113 HydrophobicContact CB-CB 4.29Å; L64-N113 HydrophobicContact CD1-CB 4.31Å; L64-L114 HydrophobicContact CD2-CD2 3.82Å; L64-L114 HydrophobicContact CD2-CG 4.48Å
65	A	97.3	Very high	94.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63	-27.5	174.7	0	0	0	0	0	113.6	N39 V42 L61 V62 L69	N39-A65 HydrophobicContact CB-CB 4.13Å; V42-A65 HydrophobicContact CB-CB 3.94Å; V42-A65 HydrophobicContact CG1-CB 3.65Å; L61-A65 PolarHBondContact O-N 2.87Å; V62-A65 PolarHBondContact O-N 3.08Å; A65-L69 WeakPolarHBondContact O-CB 3.33Å; A65-L69 WeakPolarHBondContact O-CD1 3.38Å; A65-L69 WeakPolarHBondContact O-CG 3.3Å; A65-L69 PolarHBondContact O-N 2.87Å
66	I	97.2	Very high	95.1	Very high	64 Å²	64	17.8 Å²	17.8	33%	0.328	9%	0.088	S	C	.	.	H	α-helix	trans	-71.9	-41	172.5	-67.6	162.6	0	0	0	110.6	F43 V62 S63 L64 L69 L70 W148	F43-I66 HydrophobicContact CD2-CD1 4.32Å; F43-I66 HydrophobicContact CD2-CG1 4.21Å; F43-I66 HydrophobicContact CE2-CD1 4.07Å; F43-I66 HydrophobicContact CE2-CG1 4.34Å; V62-I66 HydrophobicContact CG1-CD1 4.36Å; V62-I66 WeakPolarHBondContact O-CG1 3.5Å; V62-I66 PolarHBondContact O-N 3.08Å; S63-I66 WeakPolarHBondContact O-CB 3.35Å; S63-I66 PolarHBondContact O-N 3.03Å; L64-I66 PolarHBondContact O-N 3.27Å; I66-L69 WeakPolarHBondContact O-CB 3.46Å; I66-L69 PolarHBondContact O-N 3.15Å; I66-L70 PolarHBondContact O-N 2.81Å; I66-L70 VanDerWaalsContact O-N 3.1Å; I66-W148 HydrophobicContact CB-CZ2 4.22Å; I66-W148 HydrophobicContact CG2-CH2 3.97Å; I66-W148 HydrophobicContact CG2-CZ2 3.87Å
67	A	97.3	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-46	172.9	0	0	0	0	0	111.6	S63 L64 L69 L70 V71 A109 S110 W148	S63-A67 PolarHBondContact O-N 3.44Å; L64-A67 WeakPolarHBondContact O-CB 3.1Å; L64-A67 PolarHBondContact O-N 2.95Å; L64-A67 VanDerWaalsContact O-N 3.11Å; A67-L69 PolarHBondContact O-N 3.33Å; A67-L70 WeakPolarHBondContact O-CB 3.3Å; A67-L70 PolarHBondContact O-N 3.28Å; A67-V71 PolarHBondContact O-N 2.66Å; A67-V71 VanDerWaalsContact O-N 3.12Å; A67-A109 HydrophobicContact CB-CB 3.95Å; A67-S110 WeakPolarHBondContact CB-OG 3.47Å; A67-W148 HydrophobicContact CB-CH2 3.99Å; A67-W148 HydrophobicContact CB-CZ2 4.31Å
68	D	97.2	Very high	96	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-28	174.9	-64	-18.7	0	0	0	112.4	T35 N39 L64 V71 G72 S110 N649	T35-D68 VanDerWaalsContact CG2-O 3.25Å; T35-D68 WeakPolarHBondContact CG2-O 3.35Å; N39-D68 HydrophobicContact CB-CB 4.47Å; L64-D68 VanDerWaalsContact O-CG 3.32Å; L64-D68 PolarHBondContact O-N 3.26Å; D68-V71 PolarHBondContact O-N 2.88Å; D68-G72 PolarHBondContact O-N 3.1Å; D68-S110 PolarHBondContact OD1-OG 3.45Å; D68-N649 PolarHBondContact OD2-ND2 3.37Å
69	L	97.6	Very high	96.2	Very high	22 Å²	22	21.6 Å²	21.6	12%	0.115	11%	0.111	C	C	.	.	H	α-helix	trans	-72.7	-33.5	171.8	-78.4	167.3	0	0	0	112.9	I36 N39 V40 A65 I66 A67 V71 G72 I73	I36-L69 HydrophobicContact CG2-CD2 4.35Å; N39-L69 HydrophobicContact CB-CD1 4.38Å; N39-L69 HydrophobicContact CB-CD2 3.98Å; N39-L69 HydrophobicContact CB-CG 3.76Å; V40-L69 HydrophobicContact CG2-CD1 4.41Å; V40-L69 HydrophobicContact CG2-CD2 3.77Å; A65-L69 WeakPolarHBondContact O-CB 3.33Å; A65-L69 WeakPolarHBondContact O-CD1 3.38Å; A65-L69 WeakPolarHBondContact O-CG 3.3Å; A65-L69 PolarHBondContact O-N 2.87Å; I66-L69 WeakPolarHBondContact O-CB 3.46Å; I66-L69 PolarHBondContact O-N 3.15Å; A67-L69 PolarHBondContact O-N 3.33Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-G72 PolarHBondContact O-N 3.38Å; L69-I73 HydrophobicContact CB-CD1 4.35Å; L69-I73 HydrophobicContact CD2-CD1 4.25Å; L69-I73 VanDerWaalsContact O-CB 3.26Å; L69-I73 WeakPolarHBondContact O-CB 3.33Å; L69-I73 VanDerWaalsContact O-CG1 3.26Å; L69-I73 WeakPolarHBondContact O-CG1 3.28Å; L69-I73 PolarHBondContact O-N 3.27Å
70	L	97	Very high	96.3	Very high	39 Å²	39	19.2 Å²	19.2	20%	0.204	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-39.9	170.8	-63.3	173.4	0	0	0	110.6	I66 A67 I74 V75 L105 W148	I66-L70 PolarHBondContact O-N 2.81Å; I66-L70 VanDerWaalsContact O-N 3.1Å; A67-L70 WeakPolarHBondContact O-CB 3.3Å; A67-L70 PolarHBondContact O-N 3.28Å; L70-I74 HydrophobicContact CD2-CD1 3.89Å; L70-I74 WeakPolarHBondContact O-CA 3.4Å; L70-I74 WeakPolarHBondContact O-CB 3.5Å; L70-I74 PolarHBondContact O-N 2.91Å; L70-V75 PolarHBondContact O-N 3.12Å; L70-L105 HydrophobicContact CD1-CD2 3.62Å; L70-W148 HydrophobicContact CD1-CH2 3.8Å; L70-W148 HydrophobicContact CD1-CZ3 3.71Å
71	V	97.3	Very high	96.3	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	11%	0.112	C	C	.	.	I	π-helix	trans	-58.3	-51.7	171.2	-177.2	0	0	0	0	110.4	A67 D68 L69 I73 V75 M76 S106 Y643	A67-V71 PolarHBondContact O-N 2.66Å; A67-V71 VanDerWaalsContact O-N 3.12Å; D68-V71 PolarHBondContact O-N 2.88Å; L69-V71 VanDerWaalsContact C-N 3.32Å; V71-I73 PolarHBondContact O-N 3.23Å; V71-V75 HydrophobicContact CG1-CB 4.42Å; V71-V75 PolarHBondContact O-N 3.38Å; V71-M76 HydrophobicContact CG1-CE 4.08Å; V71-M76 HydrophobicContact CG1-CG 4.06Å; V71-M76 HydrophobicContact CG1-SD 4.35Å; V71-M76 WeakPolarHBondContact O-CB 3.42Å; V71-M76 WeakPolarHBondContact O-CG 3.41Å; V71-M76 PolarHBondContact O-N 3.25Å; V71-S106 WeakPolarHBondContact CG2-OG 3.38Å; V71-Y643 HydrophobicContact CG1-CD1 4.11Å
72	G	96.9	Very high	96.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-67.2	-35.6	-176.5	0	0	0	0	0	115.3	I36 D68 L69	I36-G72 WeakPolarHBondContact CD1-O 3.46Å; D68-G72 PolarHBondContact O-N 3.1Å; L69-G72 PolarHBondContact O-N 3.38Å
73	I	97	Very high	96.1	Very high	97 Å²	97	24.7 Å²	24.7	50%	0.497	13%	0.128	S	C	.	.	I	π-helix	trans	-94.3	-37.2	-172.8	-62.8	170.8	0	0	0	112.3	I36 L69 V71 P77	I36-I73 HydrophobicContact CD1-CG1 4.31Å; I36-I73 HydrophobicContact CG1-CG1 4.05Å; L69-I73 HydrophobicContact CB-CD1 4.35Å; L69-I73 HydrophobicContact CD2-CD1 4.25Å; L69-I73 VanDerWaalsContact O-CB 3.26Å; L69-I73 WeakPolarHBondContact O-CB 3.33Å; L69-I73 VanDerWaalsContact O-CG1 3.26Å; L69-I73 WeakPolarHBondContact O-CG1 3.28Å; L69-I73 PolarHBondContact O-N 3.27Å; V71-I73 PolarHBondContact O-N 3.23Å; I73-P77 WeakPolarHBondContact O-CG 3.47Å
74	I	96	Very high	95.9	Very high	37 Å²	37	26.6 Å²	26.6	19%	0.19	14%	0.137	C	C	.	.	I	π-helix	trans	-108.2	-49.6	-173.9	-54.9	178.3	0	0	0	111.1	L70 F78 F102	L70-I74 HydrophobicContact CD2-CD1 3.89Å; L70-I74 WeakPolarHBondContact O-CA 3.4Å; L70-I74 WeakPolarHBondContact O-CB 3.5Å; L70-I74 PolarHBondContact O-N 2.91Å; I74-F78 WeakPolarHBondContact O-CD2 3.49Å; I74-F102 HydrophobicContact CD1-CD1 3.76Å; I74-F102 HydrophobicContact CD1-CE1 3.83Å; I74-F102 HydrophobicContact CD1-CG 4.12Å; I74-F102 HydrophobicContact CD1-CZ 4.25Å; I74-F102 HydrophobicContact CG2-CB 3.8Å; I74-F102 HydrophobicContact CG2-CD2 4.12Å; I74-F102 HydrophobicContact CG2-CG 3.91Å
75	V	96.9	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-74.7	-53.3	-172.2	-174.4	0	0	0	0	111.4	L70 V71 A79 W99 D103 Y643	L70-V75 PolarHBondContact O-N 3.12Å; V71-V75 HydrophobicContact CG1-CB 4.42Å; V71-V75 PolarHBondContact O-N 3.38Å; V75-A79 VanDerWaalsContact O-CB 3.28Å; V75-A79 WeakPolarHBondContact O-CB 3.07Å; V75-A79 PolarHBondContact O-N 2.83Å; V75-W99 PolarHBondContact O-NE1 3.29Å; V75-W99 VanDerWaalsContact O-NE1 3.11Å; V75-D103 HydrophobicContact CG1-CB 3.86Å; V75-D103 HydrophobicContact CG2-CB 4.12Å; V75-Y643 HydrophobicContact CG1-CD1 4.48Å; V75-Y643 HydrophobicContact CG1-CE1 3.66Å; V75-Y643 HydrophobicContact CG1-CE2 4.44Å
76	M	96.6	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-48.1	-172.6	-78.7	176.2	167.3	0	0	113.8	A32 T35 V71 F78 A79 I80 W640 Y643	A32-M76 VanDerWaalsContact CA-SD 3.57Å; A32-M76 HydrophobicContact CB-CB 4.04Å; A32-M76 HydrophobicContact CB-SD 3.93Å; T35-M76 HydrophobicContact CG2-CE 4.48Å; T35-M76 HydrophobicContact CG2-SD 4.32Å; T35-M76 WeakPolarHBondContact OG1-CE 3.46Å; V71-M76 HydrophobicContact CG1-CE 4.08Å; V71-M76 HydrophobicContact CG1-CG 4.06Å; V71-M76 HydrophobicContact CG1-SD 4.35Å; V71-M76 WeakPolarHBondContact O-CB 3.42Å; V71-M76 WeakPolarHBondContact O-CG 3.41Å; V71-M76 PolarHBondContact O-N 3.25Å; M76-F78 VanDerWaalsContact C-N 3.33Å; M76-F78 PolarHBondContact O-N 3.25Å; M76-A79 CarbonylContact O-C 3.57Å; M76-A79 PolarHBondContact O-N 2.96Å; M76-A79 VanDerWaalsContact O-N 3.15Å; M76-I80 VanDerWaalsContact O-CG1 3.28Å; M76-I80 WeakPolarHBondContact O-CG1 3.42Å; M76-I80 PolarHBondContact O-N 3.08Å; M76-W640 HydrophobicContact CG-CZ3 4.23Å; M76-Y643 VanDerWaalsContact CE-O 3.22Å; M76-Y643 WeakPolarHBondContact CE-O 3.14Å
77	P	95.8	Very high	94.4	Very high	57 Å²	57	37.6 Å²	37.6	37%	0.37	19%	0.189	S	C	.	.	H	α-helix	trans	-61.6	-39.8	-175.4	-26	37.6	0	0	0	113.3	I73 I80 Y81	I73-P77 WeakPolarHBondContact O-CG 3.47Å; P77-I80 PolarHBondContact O-N 3.03Å; P77-Y81 PolarHBondContact O-N 3.35Å
78	F	95.4	Very high	94	Very high	46 Å²	46	42 Å²	42	20%	0.202	21%	0.207	C	C	.	.	H	α-helix	trans	-76.5	-32.2	175.9	-68.8	-81.8	0	0	0	112.2	I74 M76 I80 Y81 H82 W89 F91 W95 W99	I74-F78 WeakPolarHBondContact O-CD2 3.49Å; M76-F78 VanDerWaalsContact C-N 3.33Å; M76-F78 PolarHBondContact O-N 3.25Å; F78-I80 VanDerWaalsContact C-N 3.35Å; F78-Y81 PolarHBondContact O-N 3Å; F78-H82 WeakPolarHBondContact O-CB 3.44Å; F78-H82 PolarHBondContact O-N 3.35Å; F78-W89 HydrophobicContact CB-CH2 3.86Å; F78-W89 HydrophobicContact CB-CZ3 4.03Å; F78-W89 AromaticContact CD1-CH2 3.89Å; F78-W89 HydrophobicContact CD1-CH2 3.89Å; F78-W89 HydrophobicContact CD1-CZ3 4.28Å; F78-W89 HydrophobicContact CG-CH2 4.17Å; F78-F91 AromaticContact CD1-CD2 3.98Å; F78-F91 HydrophobicContact CD1-CD2 3.98Å; F78-F91 AromaticContact CD1-CE2 3.76Å; F78-F91 HydrophobicContact CD1-CE2 3.76Å; F78-F91 HydrophobicContact CD1-CZ 4.16Å; F78-F91 HydrophobicContact CE1-CD1 4.21Å; F78-F91 HydrophobicContact CE1-CD2 4.05Å; F78-F91 HydrophobicContact CE1-CE1 4.05Å; F78-F91 AromaticContact CE1-CE2 3.89Å; F78-F91 HydrophobicContact CE1-CE2 3.89Å; F78-F91 HydrophobicContact CE1-CG 4.22Å; F78-F91 AromaticContact CE1-CZ 3.89Å; F78-F91 HydrophobicContact CE1-CZ 3.89Å; F78-W95 AromaticContact CD1-NE1 3.46Å; F78-W95 AromaticContact CE1-CD1 3.81Å; F78-W95 AromaticContact CE1-NE1 3.06Å; F78-W95 AromaticContact CE2-CZ2 3.76Å; F78-W95 HydrophobicContact CE2-CZ2 3.76Å; F78-W95 AromaticContact CE2-NE1 3.68Å; F78-W95 AromaticContact CG-NE1 3.94Å; F78-W95 AromaticContact CZ-CE2 3.73Å; F78-W95 AromaticContact CZ-CZ2 3.75Å; F78-W95 HydrophobicContact CZ-CZ2 3.75Å; F78-W95 AromaticContact CZ-NE1 3.18Å; F78-W99 HydrophobicContact CB-CD2 4.42Å; F78-W99 HydrophobicContact CB-CG 4.16Å
79	A	95	Very high	93.7	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-35.4	170	0	0	0	0	0	112.8	V75 M76 T83 W99 W640 Y643	V75-A79 VanDerWaalsContact O-CB 3.28Å; V75-A79 WeakPolarHBondContact O-CB 3.07Å; V75-A79 PolarHBondContact O-N 2.83Å; M76-A79 CarbonylContact O-C 3.57Å; M76-A79 PolarHBondContact O-N 2.96Å; M76-A79 VanDerWaalsContact O-N 3.15Å; A79-T83 VanDerWaalsContact O-CB 3.29Å; A79-T83 WeakPolarHBondContact O-CB 3.17Å; A79-T83 PolarHBondContact O-N 3.09Å; A79-T83 PolarHBondContact O-OG1 2.97Å; A79-W99 HydrophobicContact CB-CZ2 3.92Å; A79-W640 HydrophobicContact CB-CH2 4.07Å; A79-W640 HydrophobicContact CB-CZ2 3.88Å; A79-Y643 HydrophobicContact CB-CE2 3.81Å
80	I	95.5	Very high	93.3	Very high	16 Å²	16	44.4 Å²	44.4	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-51.2	172.3	-67.7	169.8	0	0	0	108.9	L28 I29 A32 M76 P77 F78 H82 T83 L84 W640	L28-I80 HydrophobicContact CB-CD1 4.09Å; L28-I80 HydrophobicContact CB-CG1 3.79Å; L28-I80 HydrophobicContact CD1-CG1 4.47Å; I29-I80 HydrophobicContact CG1-CD1 3.92Å; A32-I80 HydrophobicContact CB-CD1 4.28Å; M76-I80 VanDerWaalsContact O-CG1 3.28Å; M76-I80 WeakPolarHBondContact O-CG1 3.42Å; M76-I80 PolarHBondContact O-N 3.08Å; P77-I80 PolarHBondContact O-N 3.03Å; F78-I80 VanDerWaalsContact C-N 3.35Å; I80-H82 PolarHBondContact O-N 3.39Å; I80-T83 PolarHBondContact O-N 3.25Å; I80-L84 HydrophobicContact CG2-CD1 3.56Å; I80-L84 HydrophobicContact CG2-CG 4.15Å; I80-L84 WeakPolarHBondContact O-CB 3.47Å; I80-L84 VanDerWaalsContact O-CG 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.38Å; I80-L84 PolarHBondContact O-N 3.43Å; I80-W640 HydrophobicContact CG1-CH2 3.63Å; I80-W640 HydrophobicContact CG1-CZ2 4.05Å
81	Y	94.2	Very high	93	Very high	55 Å²	55	46.7 Å²	46.7	22%	0.216	23%	0.231	C	C	.	.	H	α-helix	trans	-56.2	-53	178.1	-171.9	-84.6	0	0	0	111.4	P77 F78 T83 L84 Y85 Y88 P90 F91	P77-Y81 PolarHBondContact O-N 3.35Å; F78-Y81 PolarHBondContact O-N 3Å; Y81-T83 VanDerWaalsContact C-N 3.3Å; Y81-T83 PolarHBondContact O-N 3.34Å; Y81-L84 PolarHBondContact O-N 3.15Å; Y81-Y85 HydrophobicContact CD1-CD2 4.13Å; Y81-Y85 AromaticContact CD2-CD2 3.67Å; Y81-Y85 HydrophobicContact CD2-CD2 3.67Å; Y81-Y85 AromaticContact CD2-CE2 3.65Å; Y81-Y85 HydrophobicContact CD2-CE2 3.65Å; Y81-Y85 AromaticContact CE1-CD2 3.95Å; Y81-Y85 HydrophobicContact CE1-CD2 3.95Å; Y81-Y85 HydrophobicContact CE1-CG 4.32Å; Y81-Y85 AromaticContact CE2-CD2 3.47Å; Y81-Y85 HydrophobicContact CE2-CD2 3.47Å; Y81-Y85 VanDerWaalsContact CE2-CD2 3.47Å; Y81-Y85 AromaticContact CE2-CE2 3.37Å; Y81-Y85 HydrophobicContact CE2-CE2 3.37Å; Y81-Y85 HydrophobicContact CE2-CG 4.35Å; Y81-Y85 AromaticContact CG-CD2 3.98Å; Y81-Y85 HydrophobicContact CG-CD2 3.98Å; Y81-Y85 HydrophobicContact CG-CE2 4.4Å; Y81-Y85 AromaticContact CZ-CD2 3.61Å; Y81-Y85 AromaticContact CZ-CE2 3.93Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.46Å; Y81-Y85 PolarHBondContact O-N 2.87Å; Y81-Y88 HydrophobicContact CE1-CD1 4.26Å; Y81-Y88 WeakPolarHBondContact CE1-O 3.47Å; Y81-Y88 WeakPolarHBondContact OH-CD1 3.25Å; Y81-P90 HydrophobicContact CE1-CG 4.04Å; Y81-P90 WeakPolarHBondContact OH-CG 3.31Å; Y81-F91 AromaticContact CD1-CE2 3.82Å; Y81-F91 HydrophobicContact CD1-CE2 3.82Å; Y81-F91 HydrophobicContact CD1-CZ 4.45Å; Y81-F91 HydrophobicContact CD2-CZ 4.41Å; Y81-F91 HydrophobicContact CE1-CE2 4.08Å; Y81-F91 HydrophobicContact CG-CE2 4.09Å; Y81-F91 HydrophobicContact CG-CZ 4.37Å
82	H	92.6	Very high	92.6	Very high	42 Å²	42	48.2 Å²	48.2	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-39.1	178.6	-173.9	-92.4	0	0	0	113.2	F78 I80 A87 W99 C176	F78-H82 WeakPolarHBondContact O-CB 3.44Å; F78-H82 PolarHBondContact O-N 3.35Å; I80-H82 PolarHBondContact O-N 3.39Å; H82-A87 PolarHBondContact O-N 3.26Å; H82-W99 HydrophobicContact CB-CH2 4.09Å; H82-W99 AromaticContact CG-CH2 3.88Å; H82-C176 PolarHBondContact NE2-O 3.29Å
83	T	92.1	Very high	92.1	Very high	29 Å²	29	51.5 Å²	51.5	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-38.1	177.6	-55.4	0	0	0	0	112.7	L24 L28 A79 I80 Y81 I636 W640	L24-T83 HydrophobicContact CD2-CG2 4.24Å; L28-T83 HydrophobicContact CD1-CG2 4.3Å; A79-T83 VanDerWaalsContact O-CB 3.29Å; A79-T83 WeakPolarHBondContact O-CB 3.17Å; A79-T83 PolarHBondContact O-N 3.09Å; A79-T83 PolarHBondContact O-OG1 2.97Å; I80-T83 PolarHBondContact O-N 3.25Å; Y81-T83 VanDerWaalsContact C-N 3.3Å; Y81-T83 PolarHBondContact O-N 3.34Å; T83-I636 HydrophobicContact CG2-CG2 3.92Å; T83-W640 PolarHBondContact OG1-NE1 3.35Å
84	L	92.2	Very high	91.7	Very high	46 Å²	46	51.5 Å²	51.5	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-81.6	-24.6	-175.5	-65.4	177.9	0	0	0	113.6	T21 L24 I80 Y81	T21-L84 HydrophobicContact CG2-CB 4.41Å; T21-L84 HydrophobicContact CG2-CD2 3.83Å; L24-L84 HydrophobicContact CB-CD2 4.43Å; L24-L84 HydrophobicContact CD2-CD2 4.24Å; L24-L84 HydrophobicContact CG-CD2 4.25Å; I80-L84 HydrophobicContact CG2-CD1 3.56Å; I80-L84 HydrophobicContact CG2-CG 4.15Å; I80-L84 WeakPolarHBondContact O-CB 3.47Å; I80-L84 VanDerWaalsContact O-CG 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.38Å; I80-L84 PolarHBondContact O-N 3.43Å; Y81-L84 PolarHBondContact O-N 3.15Å
85	Y	90.1	Very high	91.5	Very high	134 Å²	134	54.1 Å²	54.1	53%	0.525	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	25	-179.5	-67.5	-82.5	0	0	0	113.2	Y81 A87 Y88	Y81-Y85 HydrophobicContact CD1-CD2 4.13Å; Y81-Y85 AromaticContact CD2-CD2 3.67Å; Y81-Y85 HydrophobicContact CD2-CD2 3.67Å; Y81-Y85 AromaticContact CD2-CE2 3.65Å; Y81-Y85 HydrophobicContact CD2-CE2 3.65Å; Y81-Y85 AromaticContact CE1-CD2 3.95Å; Y81-Y85 HydrophobicContact CE1-CD2 3.95Å; Y81-Y85 HydrophobicContact CE1-CG 4.32Å; Y81-Y85 AromaticContact CE2-CD2 3.47Å; Y81-Y85 HydrophobicContact CE2-CD2 3.47Å; Y81-Y85 VanDerWaalsContact CE2-CD2 3.47Å; Y81-Y85 AromaticContact CE2-CE2 3.37Å; Y81-Y85 HydrophobicContact CE2-CE2 3.37Å; Y81-Y85 HydrophobicContact CE2-CG 4.35Å; Y81-Y85 AromaticContact CG-CD2 3.98Å; Y81-Y85 HydrophobicContact CG-CD2 3.98Å; Y81-Y85 HydrophobicContact CG-CE2 4.4Å; Y81-Y85 AromaticContact CZ-CD2 3.61Å; Y81-Y85 AromaticContact CZ-CE2 3.93Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.46Å; Y81-Y85 PolarHBondContact O-N 2.87Å; Y85-A87 PolarHBondContact O-N 3.42Å; Y85-Y88 WeakPolarHBondContact O-CB 3.25Å; Y85-Y88 PolarHBondContact O-N 3.03Å; Y85-Y88 VanDerWaalsContact O-N 3.08Å
86	D	85.5	Confident	91.2	Very high	148 Å²	148	54.3 Å²	54.3	79%	0.791	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	57.6	175.4	-158.1	28.4	0	0	0	113.7	Y88	D86-Y88 PolarHBondContact O-N 3.34Å; D86-Y88 VanDerWaalsContact O-N 3.15Å
87	A	84.1	Confident	90.9	Very high	14 Å²	14	55.6 Å²	55.6	12%	0.116	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	-0	-178.2	0	0	0	0	0	117.8	H82 Y85 V175 C176	H82-A87 PolarHBondContact O-N 3.26Å; Y85-A87 PolarHBondContact O-N 3.42Å; A87-V175 HydrophobicContact CB-CG1 3.88Å; A87-C176 PolarHBondContact O-N 3.47Å
88	Y	88.9	Confident	90.7	Very high	94 Å²	94	56 Å²	56	37%	0.369	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-57.9	139.3	170.6	177.9	-103.6	0	0	0	111.8	Y81 Y85 D86 P90 E174	Y81-Y88 HydrophobicContact CE1-CD1 4.26Å; Y81-Y88 WeakPolarHBondContact CE1-O 3.47Å; Y81-Y88 WeakPolarHBondContact OH-CD1 3.25Å; Y85-Y88 WeakPolarHBondContact O-CB 3.25Å; Y85-Y88 PolarHBondContact O-N 3.03Å; Y85-Y88 VanDerWaalsContact O-N 3.08Å; D86-Y88 PolarHBondContact O-N 3.34Å; D86-Y88 VanDerWaalsContact O-N 3.15Å; Y88-P90 HydrophobicContact CE1-CB 4.05Å; Y88-P90 HydrophobicContact CE1-CG 4.13Å; Y88-E174 CarbonylContact C-O 3.5Å; Y88-E174 HydrophobicContact CD2-CB 4.1Å; Y88-E174 HydrophobicContact CE2-CB 3.93Å; Y88-E174 HydrophobicContact CE2-CG 4.37Å
89	W	89.9	Confident	90.6	Very high	5 Å²	5	54.2 Å²	54.2	2%	0.019	27%	0.266	C	S	.	.			trans	-146.2	95	-169.1	-171.6	-95.8	0	0	0	112.9	F78 F91 G92 W95 C96 W99 E174 C176	F78-W89 HydrophobicContact CB-CH2 3.86Å; F78-W89 HydrophobicContact CB-CZ3 4.03Å; F78-W89 AromaticContact CD1-CH2 3.89Å; F78-W89 HydrophobicContact CD1-CH2 3.89Å; F78-W89 HydrophobicContact CD1-CZ3 4.28Å; F78-W89 HydrophobicContact CG-CH2 4.17Å; W89-F91 VanDerWaalsContact C-N 3.31Å; W89-F91 AromaticContact CD2-CD2 3.81Å; W89-F91 HydrophobicContact CD2-CD2 3.81Å; W89-F91 AromaticContact CE2-CD2 3.79Å; W89-F91 AromaticContact CE3-CD2 3.98Å; W89-F91 HydrophobicContact CE3-CD2 3.98Å; W89-F91 HydrophobicContact CE3-CE2 4.41Å; W89-F91 HydrophobicContact CG-CD2 4.41Å; W89-F91 HydrophobicContact CH2-CD2 4.2Å; W89-F91 HydrophobicContact CZ2-CB 4.31Å; W89-F91 HydrophobicContact CZ2-CD2 4.02Å; W89-F91 HydrophobicContact CZ3-CD2 4.17Å; W89-F91 HydrophobicContact CZ3-CE2 4.49Å; W89-F91 PolarHBondContact O-N 2.82Å; W89-G92 PolarHBondContact NE1-O 3.18Å; W89-W95 HydrophobicContact CZ2-CB 4.39Å; W89-W95 AromaticContact CZ2-CD1 3.41Å; W89-W95 VanDerWaalsContact CZ2-CD1 3.41Å; W89-W95 HydrophobicContact CZ2-CG 4.2Å; W89-C96 HydrophobicContact CZ2-CB 4.22Å; W89-W99 HydrophobicContact CH2-CB 3.93Å; W89-W99 AromaticContact CH2-CD2 3.7Å; W89-W99 HydrophobicContact CH2-CD2 3.7Å; W89-W99 AromaticContact CH2-CE3 3.7Å; W89-W99 HydrophobicContact CH2-CE3 3.7Å; W89-W99 AromaticContact CH2-CG 3.82Å; W89-W99 HydrophobicContact CH2-CG 3.82Å; W89-W99 HydrophobicContact CH2-CZ3 4.43Å; W89-W99 HydrophobicContact CZ2-CB 4.19Å; W89-W99 HydrophobicContact CZ2-CE3 4.38Å; W89-W99 HydrophobicContact CZ3-CD2 4.15Å; W89-W99 AromaticContact CZ3-CE3 3.95Å; W89-W99 HydrophobicContact CZ3-CE3 3.95Å; W89-W99 HydrophobicContact CZ3-CZ3 4.23Å; W89-E174 PolarHBondContact N-O 2.84Å; W89-C176 HydrophobicContact CB-CB 3.56Å; W89-C176 HydrophobicContact CD2-CB 3.62Å; W89-C176 HydrophobicContact CE3-CB 3.99Å; W89-C176 HydrophobicContact CG-CB 3.45Å; W89-C176 VanDerWaalsContact CG-CB 3.45Å
90	P	90.3	Very high	90.5	Very high	67 Å²	67	55 Å²	55	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.9	-178	34.8	-38.3	0	0	0	114.1	Y81 Y88 G92	Y81-P90 HydrophobicContact CE1-CG 4.04Å; Y81-P90 WeakPolarHBondContact OH-CG 3.31Å; Y88-P90 HydrophobicContact CE1-CB 4.05Å; Y88-P90 HydrophobicContact CE1-CG 4.13Å; P90-G92 VanDerWaalsContact C-N 3.28Å; P90-G92 PolarHBondContact O-N 3.3Å
91	F	91.1	Very high	90.4	Very high	88 Å²	88	54.3 Å²	54.3	39%	0.386	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.9	-171.9	-49.7	-73.2	0	0	0	114.1	F78 Y81 W89 W95	F78-F91 AromaticContact CD1-CD2 3.98Å; F78-F91 HydrophobicContact CD1-CD2 3.98Å; F78-F91 AromaticContact CD1-CE2 3.76Å; F78-F91 HydrophobicContact CD1-CE2 3.76Å; F78-F91 HydrophobicContact CD1-CZ 4.16Å; F78-F91 HydrophobicContact CE1-CD1 4.21Å; F78-F91 HydrophobicContact CE1-CD2 4.05Å; F78-F91 HydrophobicContact CE1-CE1 4.05Å; F78-F91 AromaticContact CE1-CE2 3.89Å; F78-F91 HydrophobicContact CE1-CE2 3.89Å; F78-F91 HydrophobicContact CE1-CG 4.22Å; F78-F91 AromaticContact CE1-CZ 3.89Å; F78-F91 HydrophobicContact CE1-CZ 3.89Å; Y81-F91 AromaticContact CD1-CE2 3.82Å; Y81-F91 HydrophobicContact CD1-CE2 3.82Å; Y81-F91 HydrophobicContact CD1-CZ 4.45Å; Y81-F91 HydrophobicContact CD2-CZ 4.41Å; Y81-F91 HydrophobicContact CE1-CE2 4.08Å; Y81-F91 HydrophobicContact CG-CE2 4.09Å; Y81-F91 HydrophobicContact CG-CZ 4.37Å; W89-F91 VanDerWaalsContact C-N 3.31Å; W89-F91 AromaticContact CD2-CD2 3.81Å; W89-F91 HydrophobicContact CD2-CD2 3.81Å; W89-F91 AromaticContact CE2-CD2 3.79Å; W89-F91 AromaticContact CE3-CD2 3.98Å; W89-F91 HydrophobicContact CE3-CD2 3.98Å; W89-F91 HydrophobicContact CE3-CE2 4.41Å; W89-F91 HydrophobicContact CG-CD2 4.41Å; W89-F91 HydrophobicContact CH2-CD2 4.2Å; W89-F91 HydrophobicContact CZ2-CB 4.31Å; W89-F91 HydrophobicContact CZ2-CD2 4.02Å; W89-F91 HydrophobicContact CZ3-CD2 4.17Å; W89-F91 HydrophobicContact CZ3-CE2 4.49Å; W89-F91 PolarHBondContact O-N 2.82Å; F91-W95 HydrophobicContact CB-CB 3.94Å; F91-W95 HydrophobicContact CB-CG 4Å; F91-W95 AromaticContact CG-CD1 3.94Å; F91-W95 WeakPolarHBondContact O-CB 3.1Å
92	G	89.4	Confident	90.4	Very high	34 Å²	34	54.2 Å²	54.2	35%	0.351	27%	0.267	S	S	.	.			trans	77.4	161.6	-176.5	0	0	0	0	0	114.2	W89 P90 D94 W95 C96	W89-G92 PolarHBondContact NE1-O 3.18Å; P90-G92 VanDerWaalsContact C-N 3.28Å; P90-G92 PolarHBondContact O-N 3.3Å; G92-D94 PolarHBondContact O-N 3.22Å; G92-W95 PolarHBondContact O-N 3.27Å; G92-C96 PolarHBondContact O-N 2.87Å
93	R	85	Confident	90.5	Very high	70 Å²	70	53.3 Å²	53.3	26%	0.264	26%	0.264	S	S	.	.	H	α-helix	trans	-63.7	-40.2	-174.7	-173.4	171.9	-66	164.1	6.2	112.9	W95 C96 D97 Y168	R93-W95 PolarHBondContact O-N 3.39Å; R93-C96 WeakPolarHBondContact O-CA 3.29Å; R93-C96 VanDerWaalsContact O-CB 3.27Å; R93-C96 WeakPolarHBondContact O-CB 3.24Å; R93-C96 PolarHBondContact O-N 3.38Å; R93-D97 PolarHBondContact O-N 2.9Å; R93-Y168 VanDerWaalsContact NH1-CG 3.34Å
94	D	88.4	Confident	90.4	Very high	97 Å²	97	52.7 Å²	52.7	52%	0.519	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-34.6	-179.4	-58.7	-11.8	0	0	0	111.9	G92 I98 R163	G92-D94 PolarHBondContact O-N 3.22Å; D94-I98 WeakPolarHBondContact O-CB 3.45Å; D94-I98 WeakPolarHBondContact O-CD1 3.36Å; D94-I98 WeakPolarHBondContact O-CG1 3.49Å; D94-I98 PolarHBondContact O-N 3.5Å; D94-I98 VanDerWaalsContact O-N 3.1Å; D94-R163 IonicContact OD1-CZ 3.78Å; D94-R163 IonicContact OD1-NH1 3.18Å; D94-R163 PolarHBondContact OD1-NH1 3.32Å; D94-R163 IonicContact OD1-NH2 2.7Å; D94-R163 PolarHBondContact OD1-NH2 2.95Å
95	W	91.8	Very high	90.5	Very high	91 Å²	91	51 Å²	51	35%	0.345	25%	0.251	S	S	.	.	H	α-helix	trans	-76	-31.4	173.9	-165.4	-111.9	0	0	0	113	F78 W89 F91 G92 R93 I98 W99	F78-W95 AromaticContact CD1-NE1 3.46Å; F78-W95 AromaticContact CE1-CD1 3.81Å; F78-W95 AromaticContact CE1-NE1 3.06Å; F78-W95 AromaticContact CE2-CZ2 3.76Å; F78-W95 HydrophobicContact CE2-CZ2 3.76Å; F78-W95 AromaticContact CE2-NE1 3.68Å; F78-W95 AromaticContact CG-NE1 3.94Å; F78-W95 AromaticContact CZ-CE2 3.73Å; F78-W95 AromaticContact CZ-CZ2 3.75Å; F78-W95 HydrophobicContact CZ-CZ2 3.75Å; F78-W95 AromaticContact CZ-NE1 3.18Å; W89-W95 HydrophobicContact CZ2-CB 4.39Å; W89-W95 AromaticContact CZ2-CD1 3.41Å; W89-W95 VanDerWaalsContact CZ2-CD1 3.41Å; W89-W95 HydrophobicContact CZ2-CG 4.2Å; F91-W95 HydrophobicContact CB-CB 3.94Å; F91-W95 HydrophobicContact CB-CG 4Å; F91-W95 AromaticContact CG-CD1 3.94Å; F91-W95 WeakPolarHBondContact O-CB 3.1Å; G92-W95 PolarHBondContact O-N 3.27Å; R93-W95 PolarHBondContact O-N 3.39Å; W95-I98 HydrophobicContact CE3-CB 4.36Å; W95-I98 HydrophobicContact CE3-CD1 4.32Å; W95-I98 HydrophobicContact CE3-CG2 4.16Å; W95-I98 HydrophobicContact CZ3-CG2 4.01Å; W95-W99 WeakPolarHBondContact O-CB 3.36Å; W95-W99 PolarHBondContact O-N 2.82Å
96	C	91.2	Very high	90.8	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.034	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-48.5	171.6	177.7	0	0	0	0	110.6	W89 G92 R93 I98 W99 H100 C176	W89-C96 HydrophobicContact CZ2-CB 4.22Å; G92-C96 PolarHBondContact O-N 2.87Å; R93-C96 WeakPolarHBondContact O-CA 3.29Å; R93-C96 VanDerWaalsContact O-CB 3.27Å; R93-C96 WeakPolarHBondContact O-CB 3.24Å; R93-C96 PolarHBondContact O-N 3.38Å; C96-I98 PolarHBondContact O-N 3.38Å; C96-W99 PolarHBondContact O-N 3.34Å; C96-H100 PolarHBondContact O-CD2 3.35Å; C96-H100 PolarHBondContact O-N 2.99Å; C96-C176 HydrophobicContact CB-CB 3.86Å; C96-C176 WeakPolarHBondContact CB-SG 3.17Å; C96-C176 WeakPolarHBondContact SG-CA 3.4Å; C96-C176 WeakPolarHBondContact SG-CB 3.48Å; C96-C176 CovalentContact SG-SG 2.03Å; C96-C176 PolarHBondContact SG-SG 2.84Å
97	D	89.7	Confident	91	Very high	27 Å²	27	38.2 Å²	38.2	14%	0.144	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-47.2	176.6	-67.3	-15.4	0	0	0	111.3	R93 A101 I159 R163	R93-D97 PolarHBondContact O-N 2.9Å; D97-A101 WeakPolarHBondContact O-CB 3.5Å; D97-A101 PolarHBondContact O-N 3.23Å; D97-I159 HydrophobicContact CB-CG2 3.73Å; D97-R163 IonicContact OD2-CZ 2.71Å; D97-R163 IonicContact OD2-NH1 2.7Å; D97-R163 PolarHBondContact OD2-NH1 3.48Å
98	I	92.3	Very high	91.4	Very high	64 Å²	64	37.7 Å²	37.7	33%	0.328	19%	0.189	S	C	.	.	H	α-helix	trans	-64.8	-42	177.9	-70.9	166.7	0	0	0	111.6	D94 W95 C96 A101 F102	D94-I98 WeakPolarHBondContact O-CB 3.45Å; D94-I98 WeakPolarHBondContact O-CD1 3.36Å; D94-I98 WeakPolarHBondContact O-CG1 3.49Å; D94-I98 PolarHBondContact O-N 3.5Å; D94-I98 VanDerWaalsContact O-N 3.1Å; W95-I98 HydrophobicContact CE3-CB 4.36Å; W95-I98 HydrophobicContact CE3-CD1 4.32Å; W95-I98 HydrophobicContact CE3-CG2 4.16Å; W95-I98 HydrophobicContact CZ3-CG2 4.01Å; C96-I98 PolarHBondContact O-N 3.38Å; I98-A101 WeakPolarHBondContact O-CB 3.4Å; I98-A101 PolarHBondContact O-N 2.88Å; I98-A101 VanDerWaalsContact O-N 3.14Å; I98-F102 HydrophobicContact CG2-CD2 3.76Å; I98-F102 HydrophobicContact CG2-CE2 3.8Å; I98-F102 WeakPolarHBondContact O-CD2 3.47Å; I98-F102 PolarHBondContact O-N 3.37Å
99	W	94.2	Very high	91.7	Very high	9 Å²	9	33.2 Å²	33.2	3%	0.034	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-47.7	178.4	168.9	62.4	0	0	0	111.3	V75 F78 A79 H82 W89 W95 C96 A101 F102 D103	V75-W99 PolarHBondContact O-NE1 3.29Å; V75-W99 VanDerWaalsContact O-NE1 3.11Å; F78-W99 HydrophobicContact CB-CD2 4.42Å; F78-W99 HydrophobicContact CB-CG 4.16Å; A79-W99 HydrophobicContact CB-CZ2 3.92Å; H82-W99 HydrophobicContact CB-CH2 4.09Å; H82-W99 AromaticContact CG-CH2 3.88Å; W89-W99 HydrophobicContact CH2-CB 3.93Å; W89-W99 AromaticContact CH2-CD2 3.7Å; W89-W99 HydrophobicContact CH2-CD2 3.7Å; W89-W99 AromaticContact CH2-CE3 3.7Å; W89-W99 HydrophobicContact CH2-CE3 3.7Å; W89-W99 AromaticContact CH2-CG 3.82Å; W89-W99 HydrophobicContact CH2-CG 3.82Å; W89-W99 HydrophobicContact CH2-CZ3 4.43Å; W89-W99 HydrophobicContact CZ2-CB 4.19Å; W89-W99 HydrophobicContact CZ2-CE3 4.38Å; W89-W99 HydrophobicContact CZ3-CD2 4.15Å; W89-W99 AromaticContact CZ3-CE3 3.95Å; W89-W99 HydrophobicContact CZ3-CE3 3.95Å; W89-W99 HydrophobicContact CZ3-CZ3 4.23Å; W95-W99 WeakPolarHBondContact O-CB 3.36Å; W95-W99 PolarHBondContact O-N 2.82Å; C96-W99 PolarHBondContact O-N 3.34Å; W99-A101 VanDerWaalsContact C-N 3.28Å; W99-A101 PolarHBondContact O-N 3.23Å; W99-F102 PolarHBondContact O-N 3.44Å; W99-D103 PolarHBondContact O-N 3.36Å
100	H	91.4	Very high	91.9	Very high	19 Å²	19	33.3 Å²	33.3	9%	0.088	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-35.6	172.2	-76.4	-49.3	0	0	0	112.4	C96 F102 D103 V104 I159 F178	C96-H100 PolarHBondContact O-CD2 3.35Å; C96-H100 PolarHBondContact O-N 2.99Å; H100-F102 PolarHBondContact O-N 3.12Å; H100-D103 PolarHBondContact O-N 3.39Å; H100-V104 WeakPolarHBondContact O-CG2 3.49Å; H100-V104 PolarHBondContact O-N 3.34Å; H100-I159 HydrophobicContact CB-CD1 4.01Å; H100-F178 HydrophobicContact CB-CD2 4.21Å; H100-F178 HydrophobicContact CB-CE2 4.29Å; H100-F178 AromaticContact CD2-CD2 3.94Å; H100-F178 AromaticContact CE1-CD2 3.81Å; H100-F178 AromaticContact CG-CD2 3.7Å; H100-F178 AromaticContact ND1-CD2 3.61Å; H100-F178 AromaticContact NE2-CD2 3.99Å
101	A	93.3	Very high	92	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-38.9	176.4	0	0	0	0	0	112.4	D97 I98 W99 L105 F156 I159	D97-A101 WeakPolarHBondContact O-CB 3.5Å; D97-A101 PolarHBondContact O-N 3.23Å; I98-A101 WeakPolarHBondContact O-CB 3.4Å; I98-A101 PolarHBondContact O-N 2.88Å; I98-A101 VanDerWaalsContact O-N 3.14Å; W99-A101 VanDerWaalsContact C-N 3.28Å; W99-A101 PolarHBondContact O-N 3.23Å; A101-L105 WeakPolarHBondContact O-CB 3.37Å; A101-L105 PolarHBondContact O-N 3.45Å; A101-F156 HydrophobicContact CB-CD1 4.05Å; A101-F156 HydrophobicContact CB-CD2 4.29Å; A101-F156 HydrophobicContact CB-CE1 3.84Å; A101-F156 HydrophobicContact CB-CE2 4.06Å; A101-F156 HydrophobicContact CB-CG 4.27Å; A101-F156 HydrophobicContact CB-CZ 3.84Å; A101-I159 HydrophobicContact CB-CD1 3.57Å
102	F	94.9	Very high	92.1	Very high	53 Å²	53	27.9 Å²	27.9	23%	0.232	14%	0.143	C	C	.	.	H	α-helix	trans	-72.9	-32.2	175.1	-85	-75	0	0	0	113.4	I74 I98 W99 H100 S106 F156	I74-F102 HydrophobicContact CD1-CD1 3.76Å; I74-F102 HydrophobicContact CD1-CE1 3.83Å; I74-F102 HydrophobicContact CD1-CG 4.12Å; I74-F102 HydrophobicContact CD1-CZ 4.25Å; I74-F102 HydrophobicContact CG2-CB 3.8Å; I74-F102 HydrophobicContact CG2-CD2 4.12Å; I74-F102 HydrophobicContact CG2-CG 3.91Å; I98-F102 HydrophobicContact CG2-CD2 3.76Å; I98-F102 HydrophobicContact CG2-CE2 3.8Å; I98-F102 WeakPolarHBondContact O-CD2 3.47Å; I98-F102 PolarHBondContact O-N 3.37Å; W99-F102 PolarHBondContact O-N 3.44Å; H100-F102 PolarHBondContact O-N 3.12Å; F102-S106 WeakPolarHBondContact O-CB 3.1Å; F102-S106 PolarHBondContact O-N 2.92Å; F102-S106 PolarHBondContact O-OG 3.4Å; F102-F156 HydrophobicContact CE2-CZ 4.24Å; F102-F156 HydrophobicContact CZ-CZ 4.38Å
103	D	94	Very high	92.3	Very high	23 Å²	23	26.3 Å²	26.3	12%	0.123	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-54.9	172.2	-178.3	29.2	0	0	0	111.6	V75 W99 H100 L105 S106 S107 Y643	V75-D103 HydrophobicContact CG1-CB 3.86Å; V75-D103 HydrophobicContact CG2-CB 4.12Å; W99-D103 PolarHBondContact O-N 3.36Å; H100-D103 PolarHBondContact O-N 3.39Å; D103-L105 VanDerWaalsContact C-N 3.28Å; D103-L105 PolarHBondContact O-N 3.09Å; D103-S106 PolarHBondContact O-N 3.4Å; D103-S106 PolarHBondContact O-OG 3.35Å; D103-S106 VanDerWaalsContact O-OG 3.12Å; D103-S107 WeakPolarHBondContact O-CB 3.21Å; D103-S107 PolarHBondContact O-N 2.96Å; D103-S107 PolarHBondContact O-OG 3.28Å; D103-Y643 WeakPolarHBondContact OD1-CE1 3.28Å; D103-Y643 PolarHBondContact OD2-OH 2.96Å
104	V	91.7	Very high	92.6	Very high	16 Å²	16	23.2 Å²	23.2	10%	0.097	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-37.4	176.6	-178	0	0	0	0	111.2	H100 S107 T108 S155 F178	H100-V104 WeakPolarHBondContact O-CG2 3.49Å; H100-V104 PolarHBondContact O-N 3.34Å; V104-S107 WeakPolarHBondContact CA-OG 3.24Å; V104-S107 PolarHBondContact O-OG 3.1Å; V104-S107 VanDerWaalsContact O-OG 3.07Å; V104-T108 WeakPolarHBondContact O-CB 3.48Å; V104-T108 PolarHBondContact O-N 3.1Å; V104-T108 PolarHBondContact O-OG1 3.17Å; V104-S155 VanDerWaalsContact C-OG 3.27Å; V104-S155 PolarHBondContact O-OG 3.4Å; V104-F178 HydrophobicContact CG2-CE2 4.44Å; V104-F178 HydrophobicContact CG2-CZ 4.46Å
105	L	94.3	Very high	92.8	Very high	10 Å²	10	19.5 Å²	19.5	5%	0.052	10%	0.097	C	C	.	.	H	α-helix	trans	-67.1	-45.8	177.1	173.8	148.2	0	0	0	112.5	L70 A101 D103 A109 W148 V152 S155 F156	L70-L105 HydrophobicContact CD1-CD2 3.62Å; A101-L105 WeakPolarHBondContact O-CB 3.37Å; A101-L105 PolarHBondContact O-N 3.45Å; D103-L105 VanDerWaalsContact C-N 3.28Å; D103-L105 PolarHBondContact O-N 3.09Å; L105-A109 WeakPolarHBondContact O-CB 3.42Å; L105-A109 PolarHBondContact O-N 3.39Å; L105-W148 HydrophobicContact CD2-CZ3 3.96Å; L105-V152 HydrophobicContact CD1-CB 4.42Å; L105-V152 HydrophobicContact CD1-CG2 3.6Å; L105-S155 WeakPolarHBondContact CA-OG 3.37Å; L105-S155 PolarHBondContact N-OG 3.47Å; L105-F156 HydrophobicContact CB-CE2 4.45Å; L105-F156 HydrophobicContact CD1-CD2 4.29Å; L105-F156 HydrophobicContact CD1-CE2 3.69Å
106	S	94.7	Very high	92.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-70.9	-41.2	-175.1	61.9	0	0	0	0	111.6	V71 F102 D103 A109 S110	V71-S106 WeakPolarHBondContact CG2-OG 3.38Å; F102-S106 WeakPolarHBondContact O-CB 3.1Å; F102-S106 PolarHBondContact O-N 2.92Å; F102-S106 PolarHBondContact O-OG 3.4Å; D103-S106 PolarHBondContact O-N 3.4Å; D103-S106 PolarHBondContact O-OG 3.35Å; D103-S106 VanDerWaalsContact O-OG 3.12Å; S106-A109 PolarHBondContact O-N 3.28Å; S106-S110 PolarHBondContact O-N 2.88Å; S106-S110 PolarHBondContact O-OG 2.98Å
107	S	91.3	Very high	92.8	Very high	14 Å²	14	15.3 Å²	15.3	10%	0.098	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-48	172.2	56.8	0	0	0	0	112.1	D103 V104 A109 S110 I111	D103-S107 WeakPolarHBondContact O-CB 3.21Å; D103-S107 PolarHBondContact O-N 2.96Å; D103-S107 PolarHBondContact O-OG 3.28Å; V104-S107 WeakPolarHBondContact CA-OG 3.24Å; V104-S107 PolarHBondContact O-OG 3.1Å; V104-S107 VanDerWaalsContact O-OG 3.07Å; S107-A109 PolarHBondContact O-N 3.38Å; S107-S110 PolarHBondContact O-N 3.33Å; S107-I111 WeakPolarHBondContact O-CG1 3.32Å; S107-I111 PolarHBondContact O-N 3.33Å
108	T	92.2	Very high	92.7	Very high	4 Å²	4	14.1 Å²	14.1	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-61.4	-43.8	176.2	-59.7	0	0	0	0	111.8	V104 S110 I111 L112 I154	V104-T108 WeakPolarHBondContact O-CB 3.48Å; V104-T108 PolarHBondContact O-N 3.1Å; V104-T108 PolarHBondContact O-OG1 3.17Å; T108-S110 VanDerWaalsContact C-N 3.33Å; T108-S110 PolarHBondContact O-N 3.08Å; T108-I111 PolarHBondContact O-N 2.96Å; T108-L112 HydrophobicContact CG2-CD1 3.91Å; T108-L112 HydrophobicContact CG2-CG 4.26Å; T108-L112 WeakPolarHBondContact O-CB 3.47Å; T108-L112 WeakPolarHBondContact O-CG 3.44Å; T108-L112 PolarHBondContact O-N 3.27Å; T108-I154 HydrophobicContact CG2-CB 4.41Å; T108-I154 HydrophobicContact CG2-CD1 3.94Å; T108-I154 HydrophobicContact CG2-CG2 4.37Å
109	A	94.8	Very high	92.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-40.8	176.3	0	0	0	0	0	111.6	A67 L105 S106 S107 N113 W148 S151	A67-A109 HydrophobicContact CB-CB 3.95Å; L105-A109 WeakPolarHBondContact O-CB 3.42Å; L105-A109 PolarHBondContact O-N 3.39Å; S106-A109 PolarHBondContact O-N 3.28Å; S107-A109 PolarHBondContact O-N 3.38Å; A109-N113 VanDerWaalsContact O-CB 3.29Å; A109-N113 WeakPolarHBondContact O-CB 3.31Å; A109-N113 PolarHBondContact O-N 2.77Å; A109-N113 PolarHBondContact O-ND2 3.31Å; A109-W148 HydrophobicContact CB-CE3 4.24Å; A109-W148 HydrophobicContact CB-CH2 4.12Å; A109-W148 HydrophobicContact CB-CZ3 3.94Å; A109-S151 WeakPolarHBondContact CA-OG 3.18Å; A109-S151 PolarHBondContact N-OG 3.15Å
110	S	93.9	Very high	92.1	Very high	6 Å²	6	14 Å²	14	4%	0.042	8%	0.076	C	C	.	.	H	α-helix	trans	-63.8	-44.4	175.1	-75.4	0	0	0	0	112.1	L64 A67 D68 S106 S107 T108 L112 N113 L114	L64-S110 WeakPolarHBondContact CD1-OG 3.31Å; A67-S110 WeakPolarHBondContact CB-OG 3.47Å; D68-S110 PolarHBondContact OD1-OG 3.45Å; S106-S110 PolarHBondContact O-N 2.88Å; S106-S110 PolarHBondContact O-OG 2.98Å; S107-S110 PolarHBondContact O-N 3.33Å; T108-S110 VanDerWaalsContact C-N 3.33Å; T108-S110 PolarHBondContact O-N 3.08Å; S110-L112 PolarHBondContact O-N 3.22Å; S110-N113 PolarHBondContact O-N 3.03Å; S110-L114 VanDerWaalsContact O-CG 3.3Å; S110-L114 WeakPolarHBondContact O-CG 3.41Å; S110-L114 PolarHBondContact O-N 3.36Å
111	I	92	Very high	91.8	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-61.1	-47.1	176.2	-66.2	169.8	0	0	0	111.6	S107 T108 L114 C115 S192 F193 P196 M200 F604	S107-I111 WeakPolarHBondContact O-CG1 3.32Å; S107-I111 PolarHBondContact O-N 3.33Å; T108-I111 PolarHBondContact O-N 2.96Å; I111-L114 PolarHBondContact O-N 3.02Å; I111-C115 PolarHBondContact O-N 2.96Å; I111-C115 PolarHBondContact O-SG 3.34Å; I111-S192 WeakPolarHBondContact CD1-O 3.39Å; I111-F193 HydrophobicContact CD1-CD2 4.27Å; I111-P196 HydrophobicContact CG2-CB 3.52Å; I111-P196 HydrophobicContact CG2-CG 3.98Å; I111-M200 HydrophobicContact CG2-CE 4.31Å; I111-F604 HydrophobicContact CD1-CE1 4.28Å; I111-F604 HydrophobicContact CD1-CZ 3.87Å; I111-F604 HydrophobicContact CG1-CE1 3.69Å; I111-F604 HydrophobicContact CG1-CE2 4.14Å; I111-F604 HydrophobicContact CG1-CZ 3.24Å
112	L	92.8	Very high	91.3	Very high	40 Å²	40	15.5 Å²	15.5	21%	0.209	8%	0.082	C	C	.	.	H	α-helix	trans	-70.2	-34.1	-178.8	-68.8	-178.2	0	0	0	112.3	T108 S110 C115 A116 V147 C150	T108-L112 HydrophobicContact CG2-CD1 3.91Å; T108-L112 HydrophobicContact CG2-CG 4.26Å; T108-L112 WeakPolarHBondContact O-CB 3.47Å; T108-L112 WeakPolarHBondContact O-CG 3.44Å; T108-L112 PolarHBondContact O-N 3.27Å; S110-L112 PolarHBondContact O-N 3.22Å; L112-C115 WeakPolarHBondContact O-CB 3.34Å; L112-C115 PolarHBondContact O-N 3.14Å; L112-A116 WeakPolarHBondContact O-CB 3.44Å; L112-A116 PolarHBondContact O-N 3.2Å; L112-V147 HydrophobicContact CB-CB 4.34Å; L112-V147 HydrophobicContact CB-CG1 3.8Å; L112-V147 HydrophobicContact CB-CG2 4.1Å; L112-C150 HydrophobicContact CD1-CB 3.71Å
113	N	94.3	Very high	90.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-42.6	169.4	-84.7	-68.2	0	0	0	111.6	S63 L64 A109 S110 A116 I117	S63-N113 WeakPolarHBondContact CB-OD1 3.38Å; S63-N113 PolarHBondContact OG-ND2 3.1Å; S63-N113 PolarHBondContact OG-OD1 3.08Å; L64-N113 HydrophobicContact CB-CB 4.29Å; L64-N113 HydrophobicContact CD1-CB 4.31Å; A109-N113 VanDerWaalsContact O-CB 3.29Å; A109-N113 WeakPolarHBondContact O-CB 3.31Å; A109-N113 PolarHBondContact O-N 2.77Å; A109-N113 PolarHBondContact O-ND2 3.31Å; S110-N113 PolarHBondContact O-N 3.03Å; N113-A116 PolarHBondContact O-N 3.06Å; N113-I117 VanDerWaalsContact O-CG1 3.28Å; N113-I117 WeakPolarHBondContact O-CG1 3.5Å; N113-I117 PolarHBondContact O-N 3.48Å
114	L	91.6	Very high	90	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-39.1	176	-71	177.8	0	0	0	112.4	L64 S110 I111 I117 A118 M200 I600 M601 F604	L64-L114 HydrophobicContact CD2-CD2 3.82Å; L64-L114 HydrophobicContact CD2-CG 4.48Å; S110-L114 VanDerWaalsContact O-CG 3.3Å; S110-L114 WeakPolarHBondContact O-CG 3.41Å; S110-L114 PolarHBondContact O-N 3.36Å; I111-L114 PolarHBondContact O-N 3.02Å; L114-I117 HydrophobicContact CD2-CD1 4.39Å; L114-I117 PolarHBondContact O-N 3.31Å; L114-A118 PolarHBondContact O-N 2.88Å; L114-M200 HydrophobicContact CB-SD 3.97Å; L114-I600 HydrophobicContact CD2-CG2 3.84Å; L114-M601 HydrophobicContact CB-CE 3.87Å; L114-M601 HydrophobicContact CB-SD 3.73Å; L114-M601 HydrophobicContact CD1-CE 3.98Å; L114-M601 HydrophobicContact CD1-SD 4.17Å; L114-M601 HydrophobicContact CD2-SD 3.77Å; L114-M601 HydrophobicContact CG-CE 4.38Å; L114-M601 HydrophobicContact CG-SD 4.09Å; L114-F604 HydrophobicContact CD1-CB 3.79Å; L114-F604 HydrophobicContact CD1-CD1 3.98Å; L114-F604 HydrophobicContact CD1-CD2 3.56Å; L114-F604 HydrophobicContact CD1-CE2 4.23Å; L114-F604 HydrophobicContact CD1-CG 3.45Å; L114-F604 VanDerWaalsContact CD1-CG 3.45Å
115	C	91.9	Very high	89.2	Confident	20 Å²	20	18.6 Å²	18.6	14%	0.135	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-46	170.3	-68.3	0	0	0	0	111.9	I111 L112 I117 A118 L119 M200	I111-C115 PolarHBondContact O-N 2.96Å; I111-C115 PolarHBondContact O-SG 3.34Å; L112-C115 WeakPolarHBondContact O-CB 3.34Å; L112-C115 PolarHBondContact O-N 3.14Å; C115-I117 VanDerWaalsContact C-N 3.35Å; C115-I117 PolarHBondContact O-N 3.17Å; C115-A118 WeakPolarHBondContact O-CB 3.34Å; C115-A118 PolarHBondContact O-N 3.02Å; C115-A118 VanDerWaalsContact O-N 3.13Å; C115-L119 WeakPolarHBondContact O-CG 3.44Å; C115-L119 PolarHBondContact O-N 2.92Å; C115-M200 HydrophobicContact CB-SD 4.45Å; C115-M200 PolarHBondContact SG-SD 3.43Å
116	A	92	Very high	88.2	Confident	5 Å²	5	22.4 Å²	22.4	4%	0.041	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-39.9	178.6	0	0	0	0	0	112.3	F60 L112 N113 L119 E120 M143 V147	F60-A116 HydrophobicContact CD1-CB 3.86Å; F60-A116 HydrophobicContact CE1-CB 3.67Å; L112-A116 WeakPolarHBondContact O-CB 3.44Å; L112-A116 PolarHBondContact O-N 3.2Å; N113-A116 PolarHBondContact O-N 3.06Å; A116-L119 PolarHBondContact O-N 2.89Å; A116-E120 WeakPolarHBondContact O-CB 3.41Å; A116-E120 PolarHBondContact O-N 3.44Å; A116-M143 HydrophobicContact CB-CE 4.02Å; A116-V147 HydrophobicContact CB-CG2 4.09Å
117	I	90.8	Very high	86.9	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-44.3	171.5	-69.2	164.4	0	0	0	110.8	F60 L61 N113 L114 C115 L119 E120 R121 L597	F60-I117 HydrophobicContact CB-CD1 4Å; F60-I117 HydrophobicContact CB-CG1 3.47Å; F60-I117 VanDerWaalsContact CB-CG1 3.47Å; F60-I117 HydrophobicContact CG-CG1 4.11Å; L61-I117 HydrophobicContact CD2-CD1 3.94Å; N113-I117 VanDerWaalsContact O-CG1 3.28Å; N113-I117 WeakPolarHBondContact O-CG1 3.5Å; N113-I117 PolarHBondContact O-N 3.48Å; L114-I117 HydrophobicContact CD2-CD1 4.39Å; L114-I117 PolarHBondContact O-N 3.31Å; C115-I117 VanDerWaalsContact C-N 3.35Å; C115-I117 PolarHBondContact O-N 3.17Å; I117-L119 PolarHBondContact O-N 3.18Å; I117-E120 PolarHBondContact O-N 2.91Å; I117-R121 HydrophobicContact CG2-CG 4.49Å; I117-R121 WeakPolarHBondContact O-CB 3.28Å; I117-R121 VanDerWaalsContact O-CG 3.29Å; I117-R121 WeakPolarHBondContact O-CG 3.44Å; I117-R121 PolarHBondContact O-N 2.86Å; I117-L597 HydrophobicContact CG2-CB 4.41Å; I117-L597 HydrophobicContact CG2-CD1 3.79Å; I117-L597 HydrophobicContact CG2-CD2 3.95Å; I117-L597 HydrophobicContact CG2-CG 4.25Å
118	A	88.7	Confident	85.7	Confident	2 Å²	2	28.7 Å²	28.7	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-46.7	177.9	0	0	0	0	0	111.6	L114 C115 R121 F122 V203 Y204	L114-A118 PolarHBondContact O-N 2.88Å; C115-A118 WeakPolarHBondContact O-CB 3.34Å; C115-A118 PolarHBondContact O-N 3.02Å; C115-A118 VanDerWaalsContact O-N 3.13Å; A118-R121 PolarHBondContact O-N 3.39Å; A118-F122 WeakPolarHBondContact O-CB 3.47Å; A118-F122 PolarHBondContact O-N 3.01Å; A118-V203 HydrophobicContact CB-CB 4.48Å; A118-V203 HydrophobicContact CB-CG1 3.82Å; A118-V203 WeakPolarHBondContact O-CG1 3.5Å; A118-Y204 HydrophobicContact CB-CD2 4.03Å; A118-Y204 HydrophobicContact CB-CE2 3.46Å; A118-Y204 VanDerWaalsContact CB-CE2 3.46Å
119	L	86.6	Confident	84.3	Confident	67 Å²	67	35.3 Å²	35.3	35%	0.351	18%	0.182	S	C	.	.	H	α-helix	trans	-64.8	-44.8	178.4	-68.8	172.2	0	0	0	112.5	C115 A116 I117 R121 F122 W123 M143	C115-L119 WeakPolarHBondContact O-CG 3.44Å; C115-L119 PolarHBondContact O-N 2.92Å; A116-L119 PolarHBondContact O-N 2.89Å; I117-L119 PolarHBondContact O-N 3.18Å; L119-R121 VanDerWaalsContact C-N 3.26Å; L119-R121 PolarHBondContact O-N 3.31Å; L119-F122 WeakPolarHBondContact O-CB 3.44Å; L119-F122 PolarHBondContact O-N 2.86Å; L119-W123 PolarHBondContact O-N 3.12Å; L119-M143 HydrophobicContact CB-CE 4.38Å
120	E	86.2	Confident	82.4	Confident	5 Å²	5	38.8 Å²	38.8	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-54.9	-44.9	173.9	175.4	-85.6	122.1	0	0	111.4	F60 A116 I117 A124 H131 R135	F60-E120 HydrophobicContact CE2-CB 4.22Å; F60-E120 HydrophobicContact CE2-CG 4.19Å; A116-E120 WeakPolarHBondContact O-CB 3.41Å; A116-E120 PolarHBondContact O-N 3.44Å; I117-E120 PolarHBondContact O-N 2.91Å; E120-A124 WeakPolarHBondContact O-CB 3.47Å; E120-A124 PolarHBondContact O-N 3.04Å; E120-H131 PolarHBondContact O-CE1 3.2Å; E120-R135 IonicContact OE1-CZ 3.07Å; E120-R135 IonicContact OE1-NH1 2.65Å; E120-R135 PolarHBondContact OE1-NH1 3.03Å; E120-R135 IonicContact OE1-NH2 2.79Å; E120-R135 PolarHBondContact OE1-NH2 3.02Å; E120-R135 IonicContact OE2-NH2 3.65Å
121	R	85.8	Confident	80.5	Confident	8 Å²	8	39.6 Å²	39.6	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-73.6	-34.2	-179.2	-68.1	-61.7	176.6	165.6	4.4	113.2	T57 I117 A118 L119 A124 T125 I207 E590 L597	T57-R121 VanDerWaalsContact CG2-NH2 3.25Å; T57-R121 PolarHBondContact OG1-NH2 3.43Å; I117-R121 HydrophobicContact CG2-CG 4.49Å; I117-R121 WeakPolarHBondContact O-CB 3.28Å; I117-R121 VanDerWaalsContact O-CG 3.29Å; I117-R121 WeakPolarHBondContact O-CG 3.44Å; I117-R121 PolarHBondContact O-N 2.86Å; A118-R121 PolarHBondContact O-N 3.39Å; L119-R121 VanDerWaalsContact C-N 3.26Å; L119-R121 PolarHBondContact O-N 3.31Å; R121-A124 PolarHBondContact O-N 2.89Å; R121-T125 PolarHBondContact O-N 3.44Å; R121-T125 PolarHBondContact O-OG1 2.81Å; R121-I207 HydrophobicContact CB-CD1 3.88Å; R121-E590 IonicContact CZ-OE2 3.87Å; R121-E590 IonicContact NH1-OE2 2.84Å; R121-E590 PolarHBondContact NH1-OE2 3.4Å; R121-E590 IonicContact NH2-OE2 3.97Å; R121-L597 HydrophobicContact CG-CD1 3.63Å; R121-L597 VanDerWaalsContact NE-CD1 3.34Å
122	F	83.3	Confident	78.9	Confident	44 Å²	44	44.2 Å²	44.2	19%	0.193	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-52.9	171.3	-178.9	-109.7	0	0	0	111.3	A118 L119 A124 T125 E126 V203 R206 I207	A118-F122 WeakPolarHBondContact O-CB 3.47Å; A118-F122 PolarHBondContact O-N 3.01Å; L119-F122 WeakPolarHBondContact O-CB 3.44Å; L119-F122 PolarHBondContact O-N 2.86Å; F122-A124 VanDerWaalsContact C-N 3.26Å; F122-A124 PolarHBondContact O-N 2.86Å; F122-T125 PolarHBondContact O-N 3.33Å; F122-T125 PolarHBondContact O-OG1 2.9Å; F122-E126 WeakPolarHBondContact O-CB 3.42Å; F122-E126 PolarHBondContact O-N 3.09Å; F122-V203 HydrophobicContact CB-CG1 3.9Å; F122-V203 HydrophobicContact CG-CG1 4.42Å; F122-R206 HydrophobicContact CD2-CB 4.36Å; F122-R206 HydrophobicContact CE2-CB 4.05Å; F122-I207 HydrophobicContact CB-CD1 4.2Å; F122-I207 HydrophobicContact CB-CG1 4.19Å; F122-I207 HydrophobicContact CD2-CG1 4.31Å
123	W	81.7	Confident	77	Confident	119 Å²	119	47.1 Å²	47.1	45%	0.451	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-34.1	176.3	-62.9	-29.3	0	0	0	112.5	L119 N127 H131 M143	L119-W123 PolarHBondContact O-N 3.12Å; W123-N127 PolarHBondContact O-N 3.35Å; W123-H131 WeakPolarHBondContact CB-NE2 3.36Å; W123-M143 HydrophobicContact CH2-SD 4.42Å; W123-M143 HydrophobicContact CZ3-CE 4.16Å; W123-M143 HydrophobicContact CZ3-SD 3.86Å
124	A	79.1	Confident	75.3	Confident	22 Å²	22	52.7 Å²	52.7	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-34	174.9	0	0	0	0	0	114.9	E120 R121 F122 H131	E120-A124 WeakPolarHBondContact O-CB 3.47Å; E120-A124 PolarHBondContact O-N 3.04Å; R121-A124 PolarHBondContact O-N 2.89Å; F122-A124 VanDerWaalsContact C-N 3.26Å; F122-A124 PolarHBondContact O-N 2.86Å; A124-H131 WeakPolarHBondContact CA-ND1 3.41Å; A124-H131 WeakPolarHBondContact CB-ND1 3.48Å; A124-H131 PolarHBondContact N-CE1 3.13Å; A124-H131 PolarHBondContact N-ND1 3.31Å
125	T	75.6	Confident	74.2	Confident	15 Å²	15	55.4 Å²	55.4	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-85.1	-36.3	179.1	48.6	0	0	0	0	113.5	R121 F122 I207	R121-T125 PolarHBondContact O-N 3.44Å; R121-T125 PolarHBondContact O-OG1 2.81Å; F122-T125 PolarHBondContact O-N 3.33Å; F122-T125 PolarHBondContact O-OG1 2.9Å; T125-I207 HydrophobicContact CG2-CG2 4.08Å
126	E	73.2	Confident	73.6	Confident	90 Å²	90	57 Å²	57	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-77.3	-36.8	-175.9	-159.7	64.1	-162.6	0	0	111.9	F122 P128 T210	F122-E126 WeakPolarHBondContact O-CB 3.42Å; F122-E126 PolarHBondContact O-N 3.09Å; E126-P128 VanDerWaalsContact C-CD 3.47Å; E126-P128 VanDerWaalsContact O-CD 3.31Å; E126-P128 WeakPolarHBondContact O-CD 3.34Å; E126-T210 WeakPolarHBondContact OE2-CG2 3.29Å; E126-T210 PolarHBondContact OE2-OG1 3.44Å
127	N	66.7	Low	73.1	Confident	84 Å²	84	64 Å²	64	45%	0.449	33%	0.331	S	S	.	.			trans	-122.1	63.1	-175.8	-72.5	-61.1	0	0	0	113.1	W123 I129 T130 H131	W123-N127 PolarHBondContact O-N 3.35Å; N127-I129 PolarHBondContact O-N 3.22Å; N127-T130 PolarHBondContact O-N 3.32Å; N127-H131 HydrophobicContact CB-CB 4.43Å; N127-H131 WeakPolarHBondContact O-CB 3.43Å; N127-H131 PolarHBondContact O-N 2.86Å
128	P	66.1	Low	72.9	Confident	63 Å²	63	72.9 Å²	72.9	41%	0.409	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.7	-169.1	24.6	-35.5	0	0	0	115.1	E126	E126-P128 VanDerWaalsContact C-CD 3.47Å; E126-P128 VanDerWaalsContact O-CD 3.31Å; E126-P128 WeakPolarHBondContact O-CD 3.34Å
129	I	62.5	Low	72.8	Confident	143 Å²	143	77.8 Å²	77.8	73%	0.733	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-63.1	177.6	-61.3	171.5	0	0	0	109.1	N127 H131 T132	N127-I129 PolarHBondContact O-N 3.22Å; I129-H131 VanDerWaalsContact C-N 3.34Å; I129-H131 PolarHBondContact O-N 3.19Å; I129-T132 PolarHBondContact O-N 3.4Å; I129-T132 PolarHBondContact O-OG1 3.2Å
130	T	56.7	Low	73	Confident	73 Å²	73	74.8 Å²	74.8	45%	0.448	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-38.1	-176.7	-33.8	0	0	0	0	113.3	N127 T132 S133 M134	N127-T130 PolarHBondContact O-N 3.32Å; T130-T132 VanDerWaalsContact C-N 3.27Å; T130-T132 PolarHBondContact O-N 3.27Å; T130-S133 WeakPolarHBondContact O-CA 3.37Å; T130-S133 WeakPolarHBondContact O-CB 3.37Å; T130-S133 PolarHBondContact O-N 3.47Å; T130-M134 HydrophobicContact CG2-CG 4.3Å; T130-M134 HydrophobicContact CG2-SD 3.75Å; T130-M134 PolarHBondContact O-N 3.32Å; T130-M134 VanDerWaalsContact O-N 3.08Å
131	H	53.9	Low	73.2	Confident	22 Å²	22	78.4 Å²	78.4	10%	0.102	39%	0.39	C	S	.	.	H	α-helix	trans	-64.1	-31.1	-178.2	-167.3	-130.4	0	0	0	112.5	E120 W123 A124 N127 I129 S133 M134 R135	E120-H131 PolarHBondContact O-CE1 3.2Å; W123-H131 WeakPolarHBondContact CB-NE2 3.36Å; A124-H131 WeakPolarHBondContact CA-ND1 3.41Å; A124-H131 WeakPolarHBondContact CB-ND1 3.48Å; A124-H131 PolarHBondContact N-CE1 3.13Å; A124-H131 PolarHBondContact N-ND1 3.31Å; N127-H131 HydrophobicContact CB-CB 4.43Å; N127-H131 WeakPolarHBondContact O-CB 3.43Å; N127-H131 PolarHBondContact O-N 2.86Å; I129-H131 VanDerWaalsContact C-N 3.34Å; I129-H131 PolarHBondContact O-N 3.19Å; H131-S133 PolarHBondContact O-N 3.41Å; H131-M134 PolarHBondContact O-N 2.69Å; H131-R135 WeakPolarHBondContact CE1-CD 3.25Å; H131-R135 VanDerWaalsContact CE1-CG 3.5Å; H131-R135 WeakPolarHBondContact CE1-CG 3.42Å; H131-R135 PolarHBondContact CE1-NH1 3.44Å; H131-R135 WeakPolarHBondContact ND1-CD 3.29Å; H131-R135 WeakPolarHBondContact NE2-CG 3.4Å; H131-R135 WeakPolarHBondContact O-CB 3.44Å; H131-R135 WeakPolarHBondContact O-CG 3.42Å; H131-R135 PolarHBondContact O-N 3.17Å
132	T	56.7	Low	73.6	Confident	99 Å²	99	83 Å²	83	61%	0.607	41%	0.414	S	S	*	.	H	α-helix	trans	-65.4	-19.4	174.4	61.2	0	0	0	0	113.5	I129 T130	I129-T132 PolarHBondContact O-N 3.4Å; I129-T132 PolarHBondContact O-OG1 3.2Å; T130-T132 VanDerWaalsContact C-N 3.27Å; T130-T132 PolarHBondContact O-N 3.27Å
133	S	53.1	Low	74	Confident	102 Å²	102	82.5 Å²	82.5	71%	0.713	41%	0.414	S	S	*	.	H	α-helix	trans	-94.8	-30.6	175	-173.4	0	0	0	0	113.5	T130 H131	T130-S133 WeakPolarHBondContact O-CA 3.37Å; T130-S133 WeakPolarHBondContact O-CB 3.37Å; T130-S133 PolarHBondContact O-N 3.47Å; H131-S133 PolarHBondContact O-N 3.41Å
134	M	59.2	Low	74.7	Confident	117 Å²	117	77.8 Å²	77.8	58%	0.576	40%	0.397	S	S	*	.	H	α-helix	trans	-89.8	-14.4	-174.6	-68.8	-179.7	66.2	0	0	114.5	T130 H131 T136 H139	T130-M134 HydrophobicContact CG2-CG 4.3Å; T130-M134 HydrophobicContact CG2-SD 3.75Å; T130-M134 PolarHBondContact O-N 3.32Å; T130-M134 VanDerWaalsContact O-N 3.08Å; H131-M134 PolarHBondContact O-N 2.69Å; M134-T136 VanDerWaalsContact C-N 3.28Å; M134-T136 PolarHBondContact O-N 3.04Å; M134-H139 PolarHBondContact O-ND1 2.86Å; M134-H139 VanDerWaalsContact O-ND1 3.16Å
135	R	68.5	Low	75.5	Confident	61 Å²	61	80.3 Å²	80.3	23%	0.23	41%	0.41	C	S	.	.			trans	-71.4	72.9	177.8	-81	-175.9	94.8	136.4	5.6	113.1	L56 E120 H131	L56-R135 VanDerWaalsContact CB-NH2 3.34Å; L56-R135 HydrophobicContact CD2-CB 3.96Å; L56-R135 HydrophobicContact CD2-CG 4.29Å; E120-R135 IonicContact OE1-CZ 3.07Å; E120-R135 IonicContact OE1-NH1 2.65Å; E120-R135 PolarHBondContact OE1-NH1 3.03Å; E120-R135 IonicContact OE1-NH2 2.79Å; E120-R135 PolarHBondContact OE1-NH2 3.02Å; E120-R135 IonicContact OE2-NH2 3.65Å; H131-R135 WeakPolarHBondContact CE1-CD 3.25Å; H131-R135 VanDerWaalsContact CE1-CG 3.5Å; H131-R135 WeakPolarHBondContact CE1-CG 3.42Å; H131-R135 PolarHBondContact CE1-NH1 3.44Å; H131-R135 WeakPolarHBondContact ND1-CD 3.29Å; H131-R135 WeakPolarHBondContact NE2-CG 3.4Å; H131-R135 WeakPolarHBondContact O-CB 3.44Å; H131-R135 WeakPolarHBondContact O-CG 3.42Å; H131-R135 PolarHBondContact O-N 3.17Å
136	T	78.4	Confident	76.5	Confident	55 Å²	55	83.8 Å²	83.8	34%	0.337	43%	0.427	S	S	.	.			trans	-76.1	150.5	168.5	78.2	0	0	0	0	110.6	M134 R138 H139 C140	M134-T136 VanDerWaalsContact C-N 3.28Å; M134-T136 PolarHBondContact O-N 3.04Å; T136-R138 PolarHBondContact O-N 3.36Å; T136-R138 PolarHBondContact OG1-N 3.33Å; T136-H139 PolarHBondContact O-N 3.43Å; T136-H139 PolarHBondContact OG1-N 2.95Å; T136-H139 VanDerWaalsContact OG1-N 3.1Å; T136-H139 PolarHBondContact OG1-ND1 3.27Å; T136-H139 VanDerWaalsContact OG1-ND1 3.15Å; T136-C140 PolarHBondContact O-N 3.25Å
137	R	83.1	Confident	77.6	Confident	151 Å²	151	80 Å²	80	57%	0.57	41%	0.411	S	S	*	.	H	α-helix	trans	-62.6	-28.8	169.5	-64.8	-177.3	-171.3	149.9	4.9	111.9	L56 C140 L141	L56-R137 HydrophobicContact CD1-CG 4.49Å; R137-C140 WeakPolarHBondContact O-CB 3.41Å; R137-C140 PolarHBondContact O-N 3Å; R137-L141 WeakPolarHBondContact O-CG 3.27Å; R137-L141 PolarHBondContact O-N 3.39Å
138	R	86.8	Confident	79	Confident	189 Å²	189	79 Å²	79	71%	0.713	40%	0.401	S	S	*	.	H	α-helix	trans	-60.9	-46.6	177.7	-64.5	-178.6	-179.7	162.4	-1.3	111.5	T136 C140 L141 L142	T136-R138 PolarHBondContact O-N 3.36Å; T136-R138 PolarHBondContact OG1-N 3.33Å; R138-C140 VanDerWaalsContact C-N 3.32Å; R138-C140 PolarHBondContact O-N 3.38Å; R138-L141 PolarHBondContact O-N 3.48Å; R138-L142 WeakPolarHBondContact O-CB 3.29Å; R138-L142 PolarHBondContact O-N 3.29Å
139	H	85.7	Confident	80.5	Confident	104 Å²	104	80.4 Å²	80.4	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-40	175.3	-62	143.2	0	0	0	112.1	M134 T136 L142 M143	M134-H139 PolarHBondContact O-ND1 2.86Å; M134-H139 VanDerWaalsContact O-ND1 3.16Å; T136-H139 PolarHBondContact O-N 3.43Å; T136-H139 PolarHBondContact OG1-N 2.95Å; T136-H139 VanDerWaalsContact OG1-N 3.1Å; T136-H139 PolarHBondContact OG1-ND1 3.27Å; T136-H139 VanDerWaalsContact OG1-ND1 3.15Å; H139-L142 PolarHBondContact O-N 3.03Å; H139-M143 WeakPolarHBondContact O-CG 3.34Å; H139-M143 PolarHBondContact O-N 3.45Å
140	C	89.9	Confident	82	Confident	4 Å²	4	76 Å²	76	3%	0.027	39%	0.385	C	S	.	.	H	α-helix	trans	-62.7	-46.5	176.5	-166	0	0	0	0	112.1	L56 F60 T136 R137 R138 M143 L144	L56-C140 HydrophobicContact CD2-CB 3.81Å; L56-C140 HydrophobicContact CG-CB 4.03Å; F60-C140 WeakPolarHBondContact CE2-SG 3.41Å; T136-C140 PolarHBondContact O-N 3.25Å; R137-C140 WeakPolarHBondContact O-CB 3.41Å; R137-C140 PolarHBondContact O-N 3Å; R138-C140 VanDerWaalsContact C-N 3.32Å; R138-C140 PolarHBondContact O-N 3.38Å; C140-M143 PolarHBondContact O-N 2.86Å; C140-L144 WeakPolarHBondContact O-CG 3.5Å; C140-L144 PolarHBondContact O-N 2.83Å; C140-L144 VanDerWaalsContact O-N 3.1Å
141	L	92.3	Very high	83.8	Confident	81 Å²	81	72.5 Å²	72.5	42%	0.424	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-43.4	177.5	-69.6	169.7	0	0	0	111.4	W59 R137 R138 M143 L144 T145	W59-L141 HydrophobicContact CE3-CD2 4.16Å; W59-L141 HydrophobicContact CZ3-CD2 4.03Å; R137-L141 WeakPolarHBondContact O-CG 3.27Å; R137-L141 PolarHBondContact O-N 3.39Å; R138-L141 PolarHBondContact O-N 3.48Å; L141-M143 PolarHBondContact O-N 3.5Å; L141-L144 WeakPolarHBondContact O-CB 3.4Å; L141-L144 PolarHBondContact O-N 3.38Å; L141-L144 VanDerWaalsContact O-N 3.12Å; L141-T145 PolarHBondContact O-N 2.8Å; L141-T145 PolarHBondContact O-OG1 3.29Å; L141-T145 VanDerWaalsContact O-OG1 3.07Å
142	L	93.3	Very high	85.7	Confident	104 Å²	104	74.6 Å²	74.6	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-58.2	-45.3	175.9	-179.1	65.2	0	0	0	111.9	R138 H139 L144 T145 I146	R138-L142 WeakPolarHBondContact O-CB 3.29Å; R138-L142 PolarHBondContact O-N 3.29Å; H139-L142 PolarHBondContact O-N 3.03Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 3.26Å; L142-T145 PolarHBondContact O-N 3.5Å; L142-I146 HydrophobicContact CD1-CD1 4.25Å; L142-I146 HydrophobicContact CG-CD1 3.99Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.41Å; L142-I146 PolarHBondContact O-N 2.94Å
143	M	92.4	Very high	87.4	Confident	35 Å²	35	75.2 Å²	75.2	17%	0.172	38%	0.377	C	S	.	.	H	α-helix	trans	-60	-42	175.1	-72	174.6	71.8	0	0	111.8	F60 A116 L119 W123 H139 C140 L141 I146 V147	F60-M143 HydrophobicContact CE1-CB 4.01Å; F60-M143 HydrophobicContact CE1-CE 4.33Å; F60-M143 HydrophobicContact CZ-CB 4.12Å; F60-M143 HydrophobicContact CZ-CE 4.03Å; F60-M143 HydrophobicContact CZ-SD 3.99Å; A116-M143 HydrophobicContact CB-CE 4.02Å; L119-M143 HydrophobicContact CB-CE 4.38Å; W123-M143 HydrophobicContact CH2-SD 4.42Å; W123-M143 HydrophobicContact CZ3-CE 4.16Å; W123-M143 HydrophobicContact CZ3-SD 3.86Å; H139-M143 WeakPolarHBondContact O-CG 3.34Å; H139-M143 PolarHBondContact O-N 3.45Å; C140-M143 PolarHBondContact O-N 2.86Å; L141-M143 PolarHBondContact O-N 3.5Å; M143-I146 PolarHBondContact O-N 3.47Å; M143-V147 VanDerWaalsContact O-CG2 3.27Å; M143-V147 WeakPolarHBondContact O-CG2 3.27Å; M143-V147 PolarHBondContact O-N 3.34Å
144	L	95.6	Very high	89.1	Confident	19 Å²	19	73.1 Å²	73.1	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-43.9	176.6	-68.7	175.6	0	0	0	111.9	W59 F60 S63 C140 L141 L142 I146 V147 W148	W59-L144 HydrophobicContact CB-CD1 4.28Å; F60-L144 HydrophobicContact CD1-CD2 3.42Å; F60-L144 VanDerWaalsContact CD1-CD2 3.42Å; F60-L144 HydrophobicContact CD1-CG 4.12Å; F60-L144 HydrophobicContact CE1-CD2 3.75Å; F60-L144 HydrophobicContact CE1-CG 4.02Å; F60-L144 HydrophobicContact CG-CD2 4.32Å; S63-L144 VanDerWaalsContact CB-CD2 3.47Å; S63-L144 WeakPolarHBondContact OG-CD2 3.35Å; C140-L144 WeakPolarHBondContact O-CG 3.5Å; C140-L144 PolarHBondContact O-N 2.83Å; C140-L144 VanDerWaalsContact O-N 3.1Å; L141-L144 WeakPolarHBondContact O-CB 3.4Å; L141-L144 PolarHBondContact O-N 3.38Å; L141-L144 VanDerWaalsContact O-N 3.12Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 3.26Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-I146 PolarHBondContact O-N 2.99Å; L144-V147 WeakPolarHBondContact O-CB 3.38Å; L144-V147 PolarHBondContact O-N 3.38Å; L144-W148 VanDerWaalsContact O-CD1 3.24Å; L144-W148 PolarHBondContact O-N 3.35Å; L144-W148 VanDerWaalsContact O-N 3.08Å
145	T	96.4	Very high	90.6	Very high	76 Å²	76	67.5 Å²	67.5	47%	0.466	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-44	175.5	-56.6	0	0	0	0	111.5	L141 L142 W148 I149	L141-T145 PolarHBondContact O-N 2.8Å; L141-T145 PolarHBondContact O-OG1 3.29Å; L141-T145 VanDerWaalsContact O-OG1 3.07Å; L142-T145 PolarHBondContact O-N 3.5Å; T145-W148 PolarHBondContact O-N 3.01Å; T145-I149 HydrophobicContact CG2-CD1 3.7Å; T145-I149 HydrophobicContact CG2-CG1 4.38Å; T145-I149 WeakPolarHBondContact O-CB 3.38Å; T145-I149 VanDerWaalsContact O-CG1 3.29Å; T145-I149 WeakPolarHBondContact O-CG1 3.48Å; T145-I149 PolarHBondContact O-N 3.15Å
146	I	95.9	Very high	91.7	Very high	88 Å²	88	67.8 Å²	67.8	45%	0.451	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-46	175.4	-68.3	164.7	0	0	0	110.9	L142 M143 L144 W148 I149 C150	L142-I146 HydrophobicContact CD1-CD1 4.25Å; L142-I146 HydrophobicContact CG-CD1 3.99Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.41Å; L142-I146 PolarHBondContact O-N 2.94Å; M143-I146 PolarHBondContact O-N 3.47Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-I146 PolarHBondContact O-N 2.99Å; I146-W148 PolarHBondContact O-N 3.34Å; I146-I149 PolarHBondContact O-N 3.45Å; I146-C150 WeakPolarHBondContact O-CB 3.41Å; I146-C150 PolarHBondContact O-N 2.9Å; I146-C150 PolarHBondContact O-SG 3.44Å
147	V	95.5	Very high	92.1	Very high	11 Å²	11	68.2 Å²	68.2	7%	0.067	34%	0.336	C	S	.	.	H	α-helix	trans	-54.2	-49.8	177.3	162.1	0	0	0	0	111.4	L112 A116 M143 L144 S151	L112-V147 HydrophobicContact CB-CB 4.34Å; L112-V147 HydrophobicContact CB-CG1 3.8Å; L112-V147 HydrophobicContact CB-CG2 4.1Å; A116-V147 HydrophobicContact CB-CG2 4.09Å; M143-V147 VanDerWaalsContact O-CG2 3.27Å; M143-V147 WeakPolarHBondContact O-CG2 3.27Å; M143-V147 PolarHBondContact O-N 3.34Å; L144-V147 WeakPolarHBondContact O-CB 3.38Å; L144-V147 PolarHBondContact O-N 3.38Å; V147-S151 WeakPolarHBondContact O-CB 3.4Å; V147-S151 PolarHBondContact O-N 3.35Å; V147-S151 PolarHBondContact O-OG 2.91Å
148	W	97.6	Very high	92.1	Very high	63 Å²	63	62 Å²	62	24%	0.239	32%	0.317	C	S	.	.	H	α-helix	trans	-70.8	-40	-179	-74.6	100.6	0	0	0	112.9	S63 I66 A67 L70 L105 A109 L144 T145 I146 S151 V152	S63-W148 PolarHBondContact OG-NE1 3.01Å; I66-W148 HydrophobicContact CB-CZ2 4.22Å; I66-W148 HydrophobicContact CG2-CH2 3.97Å; I66-W148 HydrophobicContact CG2-CZ2 3.87Å; A67-W148 HydrophobicContact CB-CH2 3.99Å; A67-W148 HydrophobicContact CB-CZ2 4.31Å; L70-W148 HydrophobicContact CD1-CH2 3.8Å; L70-W148 HydrophobicContact CD1-CZ3 3.71Å; L105-W148 HydrophobicContact CD2-CZ3 3.96Å; A109-W148 HydrophobicContact CB-CE3 4.24Å; A109-W148 HydrophobicContact CB-CH2 4.12Å; A109-W148 HydrophobicContact CB-CZ3 3.94Å; L144-W148 VanDerWaalsContact O-CD1 3.24Å; L144-W148 PolarHBondContact O-N 3.35Å; L144-W148 VanDerWaalsContact O-N 3.08Å; T145-W148 PolarHBondContact O-N 3.01Å; I146-W148 PolarHBondContact O-N 3.34Å; W148-S151 PolarHBondContact O-N 3.48Å; W148-V152 WeakPolarHBondContact O-CG2 3.43Å; W148-V152 PolarHBondContact O-N 3.15Å
149	I	96.8	Very high	91.9	Very high	92 Å²	92	53.7 Å²	53.7	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-48.9	175.4	-70.9	171.8	0	0	0	110.9	T145 I146 S151 V152 L153	T145-I149 HydrophobicContact CG2-CD1 3.7Å; T145-I149 HydrophobicContact CG2-CG1 4.38Å; T145-I149 WeakPolarHBondContact O-CB 3.38Å; T145-I149 VanDerWaalsContact O-CG1 3.29Å; T145-I149 WeakPolarHBondContact O-CG1 3.48Å; T145-I149 PolarHBondContact O-N 3.15Å; I146-I149 PolarHBondContact O-N 3.45Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.91Å; I149-V152 PolarHBondContact O-N 3.12Å; I149-L153 HydrophobicContact CG2-CD1 3.72Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CB 3.19Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 3.26Å
150	C	93.7	Very high	91.9	Very high	50 Å²	50	54.3 Å²	54.3	34%	0.338	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-38.4	176.9	-69.3	0	0	0	0	112	L112 I146 L153 I154	L112-C150 HydrophobicContact CD1-CB 3.71Å; I146-C150 WeakPolarHBondContact O-CB 3.41Å; I146-C150 PolarHBondContact O-N 2.9Å; I146-C150 PolarHBondContact O-SG 3.44Å; C150-L153 PolarHBondContact O-N 3.15Å; C150-I154 WeakPolarHBondContact O-CB 3.44Å; C150-I154 WeakPolarHBondContact O-CD1 3.28Å; C150-I154 VanDerWaalsContact O-CG1 3.25Å; C150-I154 WeakPolarHBondContact O-CG1 3.49Å; C150-I154 PolarHBondContact O-N 3.16Å
151	S	94.7	Very high	91.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-43.4	178.1	-52.7	0	0	0	0	112.2	A109 V147 W148 I149 S155	A109-S151 WeakPolarHBondContact CA-OG 3.18Å; A109-S151 PolarHBondContact N-OG 3.15Å; V147-S151 WeakPolarHBondContact O-CB 3.4Å; V147-S151 PolarHBondContact O-N 3.35Å; V147-S151 PolarHBondContact O-OG 2.91Å; W148-S151 PolarHBondContact O-N 3.48Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.91Å; S151-S155 WeakPolarHBondContact O-CB 3.46Å; S151-S155 PolarHBondContact O-N 3.43Å; S151-S155 PolarHBondContact O-OG 2.98Å
152	V	94.6	Very high	90.8	Very high	66 Å²	66	61.1 Å²	61.1	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-46.6	175.4	173.6	0	0	0	0	111.3	L105 W148 I149 I154 S155 F156 P157	L105-V152 HydrophobicContact CD1-CB 4.42Å; L105-V152 HydrophobicContact CD1-CG2 3.6Å; W148-V152 WeakPolarHBondContact O-CG2 3.43Å; W148-V152 PolarHBondContact O-N 3.15Å; I149-V152 PolarHBondContact O-N 3.12Å; V152-I154 VanDerWaalsContact C-N 3.31Å; V152-I154 PolarHBondContact O-N 3.1Å; V152-S155 PolarHBondContact O-N 3.24Å; V152-F156 HydrophobicContact CG1-CD2 4.24Å; V152-F156 PolarHBondContact O-N 3.45Å; V152-P157 WeakPolarHBondContact O-CD 3.13Å
153	L	91.8	Very high	90.1	Very high	112 Å²	112	61.6 Å²	61.6	59%	0.586	31%	0.307	S	S	*	.	H	α-helix	trans	-67.8	-26.1	-178.2	-70.4	175.3	0	0	0	114.1	I149 C150 P157	I149-L153 HydrophobicContact CG2-CD1 3.72Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CB 3.19Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 3.26Å; C150-L153 PolarHBondContact O-N 3.15Å; L153-P157 VanDerWaalsContact O-CD 3.29Å; L153-P157 WeakPolarHBondContact O-CD 3.21Å; L153-P157 VanDerWaalsContact O-CG 3.32Å; L153-P157 WeakPolarHBondContact O-CG 3.34Å
154	I	89.1	Confident	89.5	Confident	57 Å²	57	66.7 Å²	66.7	29%	0.292	34%	0.335	S	S	.	.	H	α-helix	trans	-78.2	-37.6	173.5	-71.6	165	0	0	0	110.9	T108 C150 V152 A158	T108-I154 HydrophobicContact CG2-CB 4.41Å; T108-I154 HydrophobicContact CG2-CD1 3.94Å; T108-I154 HydrophobicContact CG2-CG2 4.37Å; C150-I154 WeakPolarHBondContact O-CB 3.44Å; C150-I154 WeakPolarHBondContact O-CD1 3.28Å; C150-I154 VanDerWaalsContact O-CG1 3.25Å; C150-I154 WeakPolarHBondContact O-CG1 3.49Å; C150-I154 PolarHBondContact O-N 3.16Å; V152-I154 VanDerWaalsContact C-N 3.31Å; V152-I154 PolarHBondContact O-N 3.1Å; I154-A158 WeakPolarHBondContact O-CB 3.38Å
155	S	90.2	Very high	88.5	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-90.4	-50.5	-166.5	-46	0	0	0	0	113.9	V104 L105 S151 V152	V104-S155 VanDerWaalsContact C-OG 3.27Å; V104-S155 PolarHBondContact O-OG 3.4Å; L105-S155 WeakPolarHBondContact CA-OG 3.37Å; L105-S155 PolarHBondContact N-OG 3.47Å; S151-S155 WeakPolarHBondContact O-CB 3.46Å; S151-S155 PolarHBondContact O-N 3.43Å; S151-S155 PolarHBondContact O-OG 2.98Å; V152-S155 PolarHBondContact O-N 3.24Å
156	F	91	Very high	87.2	Confident	67 Å²	67	69 Å²	69	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-74.4	-46.5	-172.5	-79.3	-100.7	0	0	0	113.3	A101 F102 L105 V152 A158 I159 L160	A101-F156 HydrophobicContact CB-CD1 4.05Å; A101-F156 HydrophobicContact CB-CD2 4.29Å; A101-F156 HydrophobicContact CB-CE1 3.84Å; A101-F156 HydrophobicContact CB-CE2 4.06Å; A101-F156 HydrophobicContact CB-CG 4.27Å; A101-F156 HydrophobicContact CB-CZ 3.84Å; F102-F156 HydrophobicContact CE2-CZ 4.24Å; F102-F156 HydrophobicContact CZ-CZ 4.38Å; L105-F156 HydrophobicContact CB-CE2 4.45Å; L105-F156 HydrophobicContact CD1-CD2 4.29Å; L105-F156 HydrophobicContact CD1-CE2 3.69Å; V152-F156 HydrophobicContact CG1-CD2 4.24Å; V152-F156 PolarHBondContact O-N 3.45Å; F156-A158 VanDerWaalsContact C-N 3.28Å; F156-A158 PolarHBondContact O-N 3.31Å; F156-I159 PolarHBondContact O-N 2.79Å; F156-L160 PolarHBondContact O-N 3.05Å
157	P	88	Confident	85.5	Confident	63 Å²	63	72.6 Å²	72.6	41%	0.409	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-33.7	178.6	-25.8	37.2	0	0	0	113.5	V152 L153 I159 L160 W161	V152-P157 WeakPolarHBondContact O-CD 3.13Å; L153-P157 VanDerWaalsContact O-CD 3.29Å; L153-P157 WeakPolarHBondContact O-CD 3.21Å; L153-P157 VanDerWaalsContact O-CG 3.32Å; L153-P157 WeakPolarHBondContact O-CG 3.34Å; P157-I159 VanDerWaalsContact C-N 3.31Å; P157-I159 PolarHBondContact O-N 2.65Å; P157-L160 PolarHBondContact O-N 3.48Å; P157-W161 VanDerWaalsContact O-CB 3.25Å; P157-W161 WeakPolarHBondContact O-CB 3.49Å; P157-W161 PolarHBondContact O-N 3.33Å
158	A	82.4	Confident	83.7	Confident	21 Å²	21	74.9 Å²	74.9	17%	0.174	37%	0.372	C	S	.	.	H	α-helix	trans	-60.9	-38.5	178	0	0	0	0	0	112.8	I154 F156 W162 Y184	I154-A158 WeakPolarHBondContact O-CB 3.38Å; F156-A158 VanDerWaalsContact C-N 3.28Å; F156-A158 PolarHBondContact O-N 3.31Å; A158-W162 WeakPolarHBondContact O-CB 3.21Å; A158-W162 PolarHBondContact O-N 2.97Å; A158-Y184 HydrophobicContact CB-CE2 3.95Å
159	I	83.4	Confident	81.7	Confident	15 Å²	15	77 Å²	77	8%	0.077	39%	0.389	C	S	.	.	H	α-helix	trans	-81.9	-37.1	-177.8	-69.4	162.7	0	0	0	111.3	D97 H100 A101 F156 P157 W161 W162 R163	D97-I159 HydrophobicContact CB-CG2 3.73Å; H100-I159 HydrophobicContact CB-CD1 4.01Å; A101-I159 HydrophobicContact CB-CD1 3.57Å; F156-I159 PolarHBondContact O-N 2.79Å; P157-I159 VanDerWaalsContact C-N 3.31Å; P157-I159 PolarHBondContact O-N 2.65Å; I159-W161 VanDerWaalsContact C-N 3.31Å; I159-W161 PolarHBondContact O-N 3.45Å; I159-W162 PolarHBondContact O-N 3.47Å; I159-R163 WeakPolarHBondContact O-CB 3.42Å; I159-R163 PolarHBondContact O-N 3.08Å
160	L	84.9	Confident	79.9	Confident	116 Å²	116	78.9 Å²	78.9	61%	0.607	40%	0.4	S	S	*	.	H	α-helix	trans	-62.2	-39.7	169.9	-67.1	175.4	0	0	0	111.8	F156 P157 N164	F156-L160 PolarHBondContact O-N 3.05Å; P157-L160 PolarHBondContact O-N 3.48Å; L160-N164 PolarHBondContact O-N 3.16Å; L160-N164 PolarHBondContact O-OD1 3.3Å
161	W	82.5	Confident	78.3	Confident	184 Å²	184	80.4 Å²	80.4	70%	0.697	41%	0.411	S	S	*	.	H	α-helix	trans	-61.4	-50.9	172.3	178.5	-89.1	0	0	0	111	P157 I159 R163 N164 T165	P157-W161 VanDerWaalsContact O-CB 3.25Å; P157-W161 WeakPolarHBondContact O-CB 3.49Å; P157-W161 PolarHBondContact O-N 3.33Å; I159-W161 VanDerWaalsContact C-N 3.31Å; I159-W161 PolarHBondContact O-N 3.45Å; W161-R163 VanDerWaalsContact C-N 3.34Å; W161-R163 PolarHBondContact O-N 2.97Å; W161-N164 PolarHBondContact O-N 3.13Å; W161-T165 HydrophobicContact CD2-CG2 4.19Å; W161-T165 HydrophobicContact CG-CG2 4.46Å; W161-T165 HydrophobicContact CZ2-CG2 3.86Å; W161-T165 PolarHBondContact O-N 2.73Å; W161-T165 PolarHBondContact O-OG1 3.43Å
162	W	77.9	Confident	77.2	Confident	44 Å²	44	82.5 Å²	82.5	17%	0.167	43%	0.425	C	S	.	.	H	α-helix	trans	-55.9	-45.8	-179.9	-177.6	-112.7	0	0	0	113	A158 I159 N164 T165 Q166 T179 D181	A158-W162 WeakPolarHBondContact O-CB 3.21Å; A158-W162 PolarHBondContact O-N 2.97Å; I159-W162 PolarHBondContact O-N 3.47Å; W162-N164 PolarHBondContact O-N 3Å; W162-T165 PolarHBondContact O-N 2.84Å; W162-T165 VanDerWaalsContact O-N 3.15Å; W162-T165 PolarHBondContact O-OG1 2.73Å; W162-Q166 HydrophobicContact CD2-CB 4.23Å; W162-Q166 HydrophobicContact CE3-CB 4.47Å; W162-Q166 HydrophobicContact CH2-CB 4.06Å; W162-Q166 HydrophobicContact CH2-CG 3.94Å; W162-Q166 HydrophobicContact CZ2-CB 3.82Å; W162-Q166 HydrophobicContact CZ2-CG 3.65Å; W162-Q166 HydrophobicContact CZ3-CB 4.38Å; W162-Q166 PolarHBondContact O-N 3.44Å; W162-T179 WeakPolarHBondContact CH2-OG1 3.45Å; W162-T179 WeakPolarHBondContact CZ2-OG1 3.46Å; W162-T179 VanDerWaalsContact CZ3-OG1 3.26Å; W162-T179 WeakPolarHBondContact CZ3-OG1 3.5Å; W162-D181 HydrophobicContact CH2-CB 3.79Å; W162-D181 HydrophobicContact CZ3-CB 3.65Å
163	R	78	Confident	76.1	Confident	114 Å²	114	83.5 Å²	83.5	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-57.8	-28.6	176.5	-175.5	176.6	179.2	118.2	-10.5	113.4	D94 D97 I159 W161	D94-R163 IonicContact OD1-CZ 3.78Å; D94-R163 IonicContact OD1-NH1 3.18Å; D94-R163 PolarHBondContact OD1-NH1 3.32Å; D94-R163 IonicContact OD1-NH2 2.7Å; D94-R163 PolarHBondContact OD1-NH2 2.95Å; D97-R163 IonicContact OD2-CZ 2.71Å; D97-R163 IonicContact OD2-NH1 2.7Å; D97-R163 PolarHBondContact OD2-NH1 3.48Å; I159-R163 WeakPolarHBondContact O-CB 3.42Å; I159-R163 PolarHBondContact O-N 3.08Å; W161-R163 VanDerWaalsContact C-N 3.34Å; W161-R163 PolarHBondContact O-N 2.97Å
164	N	79.2	Confident	75.5	Confident	143 Å²	143	83.9 Å²	83.9	77%	0.765	43%	0.432	S	S	*	.	H	α-helix	trans	-92	-21.2	179.7	-76.4	29.5	0	0	0	113.6	L160 W161 W162	L160-N164 PolarHBondContact O-N 3.16Å; L160-N164 PolarHBondContact O-OD1 3.3Å; W161-N164 PolarHBondContact O-N 3.13Å; W162-N164 PolarHBondContact O-N 3Å
165	T	75.5	Confident	75.2	Confident	69 Å²	69	83 Å²	83	42%	0.423	43%	0.43	S	S	.	.	H	α-helix	trans	-102.8	-20.7	-176.2	55.9	0	0	0	0	115	W161 W162	W161-T165 HydrophobicContact CD2-CG2 4.19Å; W161-T165 HydrophobicContact CG-CG2 4.46Å; W161-T165 HydrophobicContact CZ2-CG2 3.86Å; W161-T165 PolarHBondContact O-N 2.73Å; W161-T165 PolarHBondContact O-OG1 3.43Å; W162-T165 PolarHBondContact O-N 2.84Å; W162-T165 VanDerWaalsContact O-N 3.15Å; W162-T165 PolarHBondContact O-OG1 2.73Å
166	Q	69.4	Low	75	Confident	74 Å²	74	83.1 Å²	83.1	35%	0.346	43%	0.43	S	S	.	.			trans	-87.4	118	179.4	-166.2	-174.4	15.4	0	0	110.6	W162 Y168	W162-Q166 HydrophobicContact CD2-CB 4.23Å; W162-Q166 HydrophobicContact CE3-CB 4.47Å; W162-Q166 HydrophobicContact CH2-CB 4.06Å; W162-Q166 HydrophobicContact CH2-CG 3.94Å; W162-Q166 HydrophobicContact CZ2-CB 3.82Å; W162-Q166 HydrophobicContact CZ2-CG 3.65Å; W162-Q166 HydrophobicContact CZ3-CB 4.38Å; W162-Q166 PolarHBondContact O-N 3.44Å; Q166-Y168 PolarHBondContact O-N 3.11Å
167	D	58.7	Low	74.6	Confident	164 Å²	164	85.5 Å²	85.5	88%	0.877	44%	0.442	S	S	*	.			trans	-63.9	87.2	161.3	-70.7	-42.6	0	0	0	108.6	D169	D167-D169 PolarHBondContact O-N 2.88Å
168	Y	57.6	Low	74.1	Confident	58 Å²	58	86 Å²	86	23%	0.227	44%	0.438	C	S	.	.			trans	-75.5	118.8	-175	-148.1	-59.6	0	0	0	108.9	R93 Q166 N170	R93-Y168 VanDerWaalsContact NH1-CG 3.34Å; Q166-Y168 PolarHBondContact O-N 3.11Å; Y168-N170 PolarHBondContact O-N 3.12Å
169	D	56.4	Low	73.9	Confident	109 Å²	109	85.4 Å²	85.4	58%	0.583	43%	0.432	S	S	*	.			trans	-62.8	113.8	172.6	-174.9	9.1	0	0	0	109.5	D167 S171	D167-D169 PolarHBondContact O-N 2.88Å; D169-S171 PolarHBondContact O-N 3.34Å; D169-S171 WeakPolarHBondContact OD1-CB 3.49Å; D169-S171 PolarHBondContact OD1-N 3.35Å; D169-S171 PolarHBondContact OD1-OG 3.11Å; D169-S171 WeakPolarHBondContact OD2-CB 3.41Å; D169-S171 PolarHBondContact OD2-OG 3.45Å
170	N	59.2	Low	73.6	Confident	131 Å²	131	87.5 Å²	87.5	70%	0.701	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-0.5	-178.2	-73.6	-42.1	0	0	0	112.8	Y168 S172	Y168-N170 PolarHBondContact O-N 3.12Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 2.89Å
171	S	60.5	Low	73.5	Confident	82 Å²	82	84.9 Å²	84.9	57%	0.573	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.8	178	67.3	0	0	0	0	115.2	D169	D169-S171 PolarHBondContact O-N 3.34Å; D169-S171 WeakPolarHBondContact OD1-CB 3.49Å; D169-S171 PolarHBondContact OD1-N 3.35Å; D169-S171 PolarHBondContact OD1-OG 3.11Å; D169-S171 WeakPolarHBondContact OD2-CB 3.41Å; D169-S171 PolarHBondContact OD2-OG 3.45Å
172	S	70.6	Confident	73.7	Confident	43 Å²	43	78 Å²	78	30%	0.301	42%	0.415	S	S	.	.			trans	-135.2	68.4	-173.6	52.5	0	0	0	0	113.7	N170 E174	N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 2.89Å; S172-E174 PolarHBondContact O-N 3.32Å
173	P	72.7	Confident	74.2	Confident	88 Å²	88	81.9 Å²	81.9	57%	0.571	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-16	177.9	30.2	-35.3	0	0	0	113.6
174	E	78.5	Confident	74.5	Confident	119 Å²	119	78.7 Å²	78.7	56%	0.556	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	2.3	-175.7	-60.3	-176.9	172.1	0	0	114.1	Y88 W89 S172	Y88-E174 CarbonylContact C-O 3.5Å; Y88-E174 HydrophobicContact CD2-CB 4.1Å; Y88-E174 HydrophobicContact CE2-CB 3.93Å; Y88-E174 HydrophobicContact CE2-CG 4.37Å; W89-E174 PolarHBondContact N-O 2.84Å; S172-E174 PolarHBondContact O-N 3.32Å
175	V	82.6	Confident	74.9	Confident	40 Å²	40	72.3 Å²	72.3	24%	0.242	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-120.8	128.2	-175.9	-167.3	0	0	0	0	110.9	A87 H177	A87-V175 HydrophobicContact CB-CG1 3.88Å; V175-H177 VanDerWaalsContact CG1-NE2 3.33Å; V175-H177 WeakPolarHBondContact CG1-NE2 3.41Å
176	C	86.4	Confident	75.7	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.007	39%	0.39	C	S	.	.			trans	-96.8	104.8	175.8	178.7	0	0	0	0	109.5	H82 A87 W89 C96	H82-C176 PolarHBondContact NE2-O 3.29Å; A87-C176 PolarHBondContact O-N 3.47Å; W89-C176 HydrophobicContact CB-CB 3.56Å; W89-C176 HydrophobicContact CD2-CB 3.62Å; W89-C176 HydrophobicContact CE3-CB 3.99Å; W89-C176 HydrophobicContact CG-CB 3.45Å; W89-C176 VanDerWaalsContact CG-CB 3.45Å; C96-C176 HydrophobicContact CB-CB 3.86Å; C96-C176 WeakPolarHBondContact CB-SG 3.17Å; C96-C176 WeakPolarHBondContact SG-CA 3.4Å; C96-C176 WeakPolarHBondContact SG-CB 3.48Å; C96-C176 CovalentContact SG-SG 2.03Å; C96-C176 PolarHBondContact SG-SG 2.84Å
177	H	81.5	Confident	76.6	Confident	118 Å²	118	73.3 Å²	73.3	55%	0.546	40%	0.395	S	S	.	.			trans	-115.2	135.9	176.6	-75.2	-44.6	0	0	0	110.9	V175	V175-H177 VanDerWaalsContact CG1-NE2 3.33Å; V175-H177 WeakPolarHBondContact CG1-NE2 3.41Å
178	F	78.2	Confident	77.9	Confident	73 Å²	73	66.8 Å²	66.8	32%	0.32	36%	0.362	S	S	.	.			trans	-71.6	159.2	166.8	-163.3	-111.4	0	0	0	110.6	H100 V104 S180 Y184 L185	H100-F178 HydrophobicContact CB-CD2 4.21Å; H100-F178 HydrophobicContact CB-CE2 4.29Å; H100-F178 AromaticContact CD2-CD2 3.94Å; H100-F178 AromaticContact CE1-CD2 3.81Å; H100-F178 AromaticContact CG-CD2 3.7Å; H100-F178 AromaticContact ND1-CD2 3.61Å; H100-F178 AromaticContact NE2-CD2 3.99Å; V104-F178 HydrophobicContact CG2-CE2 4.44Å; V104-F178 HydrophobicContact CG2-CZ 4.46Å; F178-S180 PolarHBondContact O-N 2.82Å; F178-Y184 AromaticContact CE1-CE1 3.91Å; F178-Y184 HydrophobicContact CE1-CE1 3.91Å; F178-Y184 AromaticContact CZ-CE1 3.76Å; F178-Y184 HydrophobicContact CZ-CE1 3.76Å; F178-L185 HydrophobicContact CD1-CD2 4.21Å; F178-L185 HydrophobicContact CE1-CD2 4.01Å
179	T	79.2	Confident	79.4	Confident	9 Å²	9	64.1 Å²	64.1	6%	0.055	35%	0.352	C	S	.	.			trans	-55.1	133	177.3	175.6	0	0	0	0	112.5	W162 D181 Y184	W162-T179 WeakPolarHBondContact CH2-OG1 3.45Å; W162-T179 WeakPolarHBondContact CZ2-OG1 3.46Å; W162-T179 VanDerWaalsContact CZ3-OG1 3.26Å; W162-T179 WeakPolarHBondContact CZ3-OG1 3.5Å; T179-D181 WeakPolarHBondContact OG1-CB 3.47Å; T179-D181 PolarHBondContact OG1-N 3.48Å; T179-Y184 HydrophobicContact CG2-CD1 3.26Å; T179-Y184 HydrophobicContact CG2-CE1 3.44Å; T179-Y184 VanDerWaalsContact CG2-CE1 3.44Å; T179-Y184 HydrophobicContact CG2-CG 4.13Å
180	S	75.4	Confident	80.9	Confident	59 Å²	59	60.5 Å²	60.5	41%	0.413	34%	0.335	S	S	.	.			trans	-97	11.3	169.7	-65.1	0	0	0	0	112.5	F178 S182	F178-S180 PolarHBondContact O-N 2.82Å; S180-S182 PolarHBondContact O-N 3.23Å
181	D	83.8	Confident	82.2	Confident	61 Å²	61	57.9 Å²	57.9	33%	0.326	32%	0.323	S	S	.	.			trans	-66.8	121.4	178.9	-178.8	-89.9	0	0	0	111	W162 T179 I183 Y184 L185	W162-D181 HydrophobicContact CH2-CB 3.79Å; W162-D181 HydrophobicContact CZ3-CB 3.65Å; T179-D181 WeakPolarHBondContact OG1-CB 3.47Å; T179-D181 PolarHBondContact OG1-N 3.48Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.41Å; D181-I183 WeakPolarHBondContact OD1-CA 3.24Å; D181-I183 WeakPolarHBondContact OD1-CB 3.29Å; D181-I183 PolarHBondContact OD1-N 3.33Å; D181-Y184 PolarHBondContact O-N 3.06Å; D181-Y184 WeakPolarHBondContact OD1-CB 3.28Å; D181-Y184 PolarHBondContact OD1-N 3.49Å; D181-L185 WeakPolarHBondContact O-CB 3.47Å; D181-L185 VanDerWaalsContact O-CG 3.3Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 3.31Å
182	S	87.4	Confident	83.3	Confident	40 Å²	40	54.5 Å²	54.5	28%	0.28	30%	0.3	S	S	.	.	H	α-helix	trans	-65.8	-36.5	-173.6	-62.5	0	0	0	0	112.9	S180 F186 A619	S180-S182 PolarHBondContact O-N 3.23Å; S182-F186 VanDerWaalsContact O-CB 3.3Å; S182-F186 WeakPolarHBondContact O-CB 3.45Å; S182-F186 PolarHBondContact O-N 2.99Å; S182-F186 VanDerWaalsContact O-N 3.11Å; S182-A619 WeakPolarHBondContact CB-O 3.01Å; S182-A619 WeakPolarHBondContact O-CB 3.11Å; S182-A619 PolarHBondContact OG-O 3.11Å; S182-A619 VanDerWaalsContact OG-O 3.12Å
183	I	87.7	Confident	84.2	Confident	124 Å²	124	52.5 Å²	52.5	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-71.2	-46.2	-178.8	-60.4	176.1	0	0	0	109.3	D181 F186 V187	D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 3.41Å; D181-I183 WeakPolarHBondContact OD1-CA 3.24Å; D181-I183 WeakPolarHBondContact OD1-CB 3.29Å; D181-I183 PolarHBondContact OD1-N 3.33Å; I183-F186 PolarHBondContact O-N 3.06Å; I183-V187 HydrophobicContact CG2-CG2 4.23Å; I183-V187 WeakPolarHBondContact O-CB 3.46Å; I183-V187 VanDerWaalsContact O-CG2 3.29Å; I183-V187 WeakPolarHBondContact O-CG2 3.47Å; I183-V187 PolarHBondContact O-N 3.41Å
184	Y	84.8	Confident	85.1	Confident	48 Å²	48	51.1 Å²	51.1	19%	0.188	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-50.4	176.8	179.5	-91.5	0	0	0	111.8	A158 F178 T179 D181 F186 V187 S188	A158-Y184 HydrophobicContact CB-CE2 3.95Å; F178-Y184 AromaticContact CE1-CE1 3.91Å; F178-Y184 HydrophobicContact CE1-CE1 3.91Å; F178-Y184 AromaticContact CZ-CE1 3.76Å; F178-Y184 HydrophobicContact CZ-CE1 3.76Å; T179-Y184 HydrophobicContact CG2-CD1 3.26Å; T179-Y184 HydrophobicContact CG2-CE1 3.44Å; T179-Y184 VanDerWaalsContact CG2-CE1 3.44Å; T179-Y184 HydrophobicContact CG2-CG 4.13Å; D181-Y184 PolarHBondContact O-N 3.06Å; D181-Y184 WeakPolarHBondContact OD1-CB 3.28Å; D181-Y184 PolarHBondContact OD1-N 3.49Å; Y184-F186 VanDerWaalsContact C-N 3.28Å; Y184-F186 PolarHBondContact O-N 3.08Å; Y184-V187 PolarHBondContact O-N 2.93Å; Y184-S188 WeakPolarHBondContact O-CB 3.34Å; Y184-S188 PolarHBondContact O-N 3.46Å
185	L	87.3	Confident	85.7	Confident	9 Å²	9	50.3 Å²	50.3	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-40.9	179.3	-74.2	174.3	0	0	0	111.7	F178 D181 S189 I618 A619	F178-L185 HydrophobicContact CD1-CD2 4.21Å; F178-L185 HydrophobicContact CE1-CD2 4.01Å; D181-L185 WeakPolarHBondContact O-CB 3.47Å; D181-L185 VanDerWaalsContact O-CG 3.3Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 3.31Å; L185-S189 WeakPolarHBondContact O-CB 3.25Å; L185-S189 PolarHBondContact O-N 2.79Å; L185-S189 VanDerWaalsContact O-N 3.17Å; L185-S189 PolarHBondContact O-OG 3Å; L185-I618 HydrophobicContact CD1-CB 4.27Å; L185-I618 HydrophobicContact CD1-CG2 3.65Å; L185-A619 HydrophobicContact CB-CB 4.09Å
186	F	90.9	Very high	86	Confident	88 Å²	88	49.2 Å²	49.2	39%	0.386	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-57.1	175.8	-177.7	-93.5	0	0	0	112.4	S182 I183 Y184 S188 S189 C190 I616 A619 F620	S182-F186 VanDerWaalsContact O-CB 3.3Å; S182-F186 WeakPolarHBondContact O-CB 3.45Å; S182-F186 PolarHBondContact O-N 2.99Å; S182-F186 VanDerWaalsContact O-N 3.11Å; I183-F186 PolarHBondContact O-N 3.06Å; Y184-F186 VanDerWaalsContact C-N 3.28Å; Y184-F186 PolarHBondContact O-N 3.08Å; F186-S188 PolarHBondContact O-N 3.3Å; F186-S189 PolarHBondContact O-N 3.38Å; F186-C190 PolarHBondContact O-N 3.49Å; F186-C190 PolarHBondContact O-SG 3.33Å; F186-I616 HydrophobicContact CD2-CD1 3.6Å; F186-I616 HydrophobicContact CE2-CD1 4.13Å; F186-I616 HydrophobicContact CG-CD1 4.35Å; F186-A619 HydrophobicContact CB-CB 4.27Å; F186-F620 HydrophobicContact CD2-CZ 4.49Å; F186-F620 HydrophobicContact CE2-CZ 4.3Å
187	V	89	Confident	86.2	Confident	75 Å²	75	50 Å²	50	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-44.2	-175.6	173.1	0	0	0	0	111.3	I183 Y184 S189 C190 V191	I183-V187 HydrophobicContact CG2-CG2 4.23Å; I183-V187 WeakPolarHBondContact O-CB 3.46Å; I183-V187 VanDerWaalsContact O-CG2 3.29Å; I183-V187 WeakPolarHBondContact O-CG2 3.47Å; I183-V187 PolarHBondContact O-N 3.41Å; Y184-V187 PolarHBondContact O-N 2.93Å; V187-S189 PolarHBondContact O-N 2.94Å; V187-C190 PolarHBondContact O-N 3.09Å; V187-V191 HydrophobicContact CG1-CG2 4.41Å; V187-V191 WeakPolarHBondContact O-CG2 3.21Å; V187-V191 PolarHBondContact O-N 3.43Å
188	S	85.4	Confident	86.7	Confident	28 Å²	28	48.8 Å²	48.8	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-42.6	177.4	-173.8	0	0	0	0	111.6	Y184 F186 C190 V191 S192	Y184-S188 WeakPolarHBondContact O-CB 3.34Å; Y184-S188 PolarHBondContact O-N 3.46Å; F186-S188 PolarHBondContact O-N 3.3Å; S188-C190 VanDerWaalsContact C-N 3.35Å; S188-C190 PolarHBondContact O-N 3.5Å; S188-V191 PolarHBondContact O-N 2.91Å; S188-S192 WeakPolarHBondContact O-CB 3.43Å; S188-S192 PolarHBondContact O-N 2.96Å; S188-S192 PolarHBondContact O-OG 2.9Å
189	S	89.3	Confident	87.2	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-39.5	175.1	-62.8	0	0	0	0	112.3	L185 F186 V187 F193 Y194	L185-S189 WeakPolarHBondContact O-CB 3.25Å; L185-S189 PolarHBondContact O-N 2.79Å; L185-S189 VanDerWaalsContact O-N 3.17Å; L185-S189 PolarHBondContact O-OG 3Å; F186-S189 PolarHBondContact O-N 3.38Å; V187-S189 PolarHBondContact O-N 2.94Å; S189-F193 PolarHBondContact O-N 3.35Å; S189-Y194 WeakPolarHBondContact O-CD2 3.46Å; S189-Y194 PolarHBondContact O-N 3.1Å; S189-Y194 VanDerWaalsContact O-N 3.16Å
190	C	89.5	Confident	87.6	Confident	33 Å²	33	48.6 Å²	48.6	22%	0.223	27%	0.271	C	S	.	.	I	π-helix	trans	-63.8	-49.9	176.4	-74.5	0	0	0	0	112.9	F186 V187 S188 Y194 I195	F186-C190 PolarHBondContact O-N 3.49Å; F186-C190 PolarHBondContact O-SG 3.33Å; V187-C190 PolarHBondContact O-N 3.09Å; S188-C190 VanDerWaalsContact C-N 3.35Å; S188-C190 PolarHBondContact O-N 3.5Å; C190-Y194 PolarHBondContact O-N 3.08Å; C190-I195 WeakPolarHBondContact O-CB 3.17Å; C190-I195 WeakPolarHBondContact O-CG1 3.46Å; C190-I195 PolarHBondContact O-N 3.49Å
191	V	86.1	Confident	88.4	Confident	75 Å²	75	50.3 Å²	50.3	46%	0.455	28%	0.275	S	S	.	.	I	π-helix	trans	-69.9	-46	-178.3	173.8	0	0	0	0	111.4	V187 S188 P196	V187-V191 HydrophobicContact CG1-CG2 4.41Å; V187-V191 WeakPolarHBondContact O-CG2 3.21Å; V187-V191 PolarHBondContact O-N 3.43Å; S188-V191 PolarHBondContact O-N 2.91Å; V191-P196 WeakPolarHBondContact O-CD 3.37Å; V191-P196 WeakPolarHBondContact O-CG 3.44Å
192	S	83.6	Confident	88.7	Confident	11 Å²	11	51 Å²	51	8%	0.077	28%	0.281	C	S	.	.	I	π-helix	trans	-76	-36.6	-173	-55.1	0	0	0	0	112.7	I111 S188	I111-S192 WeakPolarHBondContact CD1-O 3.39Å; S188-S192 WeakPolarHBondContact O-CB 3.43Å; S188-S192 PolarHBondContact O-N 2.96Å; S188-S192 PolarHBondContact O-OG 2.9Å
193	F	88.8	Confident	88.8	Confident	1 Å²	1	50 Å²	50	0%	0.004	27%	0.273	C	S	.	.	I	π-helix	trans	-122.9	-57.7	-172.8	-176.4	-103.7	0	0	0	114.6	I111 S189 I195 P196 L197 F604 W608 L609 F612	I111-F193 HydrophobicContact CD1-CD2 4.27Å; S189-F193 PolarHBondContact O-N 3.35Å; F193-I195 PolarHBondContact O-N 2.98Å; F193-P196 WeakPolarHBondContact O-CD 3.05Å; F193-L197 HydrophobicContact CD1-CD2 4.4Å; F193-L197 HydrophobicContact CE1-CD2 3.75Å; F193-L197 HydrophobicContact CZ-CD2 4.1Å; F193-L197 WeakPolarHBondContact O-CB 3.48Å; F193-L197 PolarHBondContact O-N 3.43Å; F193-F604 HydrophobicContact CD2-CE1 4.15Å; F193-F604 AromaticContact CE2-CE1 3.84Å; F193-F604 HydrophobicContact CE2-CE1 3.84Å; F193-W608 HydrophobicContact CD2-CB 4.37Å; F193-W608 HydrophobicContact CE2-CB 3.74Å; F193-W608 HydrophobicContact CZ-CB 4.35Å; F193-L609 HydrophobicContact CE1-CB 4.23Å; F193-L609 HydrophobicContact CE1-CD1 3.8Å; F193-L609 HydrophobicContact CZ-CB 3.95Å; F193-L609 HydrophobicContact CZ-CD1 4.34Å; F193-F612 HydrophobicContact CB-CD1 3.74Å; F193-F612 HydrophobicContact CB-CD2 3.53Å; F193-F612 HydrophobicContact CB-CE1 3.74Å; F193-F612 HydrophobicContact CB-CE2 3.53Å; F193-F612 HydrophobicContact CB-CG 3.65Å; F193-F612 HydrophobicContact CB-CZ 3.65Å; F193-F612 HydrophobicContact CD1-CB 3.75Å; F193-F612 AromaticContact CD1-CD2 3.53Å; F193-F612 HydrophobicContact CD1-CD2 3.53Å; F193-F612 HydrophobicContact CD1-CE2 4.3Å; F193-F612 AromaticContact CD1-CG 3.67Å; F193-F612 HydrophobicContact CD1-CG 3.67Å; F193-F612 AromaticContact CD2-CD2 3.41Å; F193-F612 HydrophobicContact CD2-CD2 3.41Å; F193-F612 VanDerWaalsContact CD2-CD2 3.41Å; F193-F612 AromaticContact CD2-CE2 3.43Å; F193-F612 HydrophobicContact CD2-CE2 3.43Å; F193-F612 VanDerWaalsContact CD2-CE2 3.43Å; F193-F612 HydrophobicContact CD2-CG 4.3Å; F193-F612 HydrophobicContact CD2-CZ 4.32Å; F193-F612 HydrophobicContact CE1-CB 4.18Å; F193-F612 HydrophobicContact CE1-CD2 4Å; F193-F612 HydrophobicContact CE1-CG 4.36Å; F193-F612 AromaticContact CE2-CD2 3.9Å; F193-F612 HydrophobicContact CE2-CD2 3.9Å; F193-F612 HydrophobicContact CE2-CE2 4.16Å; F193-F612 HydrophobicContact CG-CB 4.25Å; F193-F612 HydrophobicContact CG-CD1 4.26Å; F193-F612 AromaticContact CG-CD2 3.2Å; F193-F612 HydrophobicContact CG-CD2 3.2Å; F193-F612 HydrophobicContact CG-CE1 4.49Å; F193-F612 AromaticContact CG-CE2 3.51Å; F193-F612 HydrophobicContact CG-CE2 3.51Å; F193-F612 AromaticContact CG-CG 3.63Å; F193-F612 HydrophobicContact CG-CG 3.63Å; F193-F612 HydrophobicContact CG-CZ 4.17Å; F193-F612 HydrophobicContact CZ-CD2 4.18Å
194	Y	91.8	Very high	88.8	Confident	59 Å²	59	45.6 Å²	45.6	23%	0.231	25%	0.249	C	C	.	.	I	π-helix	trans	-67.1	-40.3	-168.3	-67.1	-72.4	0	0	0	113.8	S189 C190 L197 V198 L609 F612 I613 I616	S189-Y194 WeakPolarHBondContact O-CD2 3.46Å; S189-Y194 PolarHBondContact O-N 3.1Å; S189-Y194 VanDerWaalsContact O-N 3.16Å; C190-Y194 PolarHBondContact O-N 3.08Å; Y194-L197 WeakPolarHBondContact O-CB 3.44Å; Y194-L197 PolarHBondContact O-N 3.31Å; Y194-V198 WeakPolarHBondContact O-CG2 3.12Å; Y194-V198 PolarHBondContact O-N 3.44Å; Y194-V198 VanDerWaalsContact O-N 3.11Å; Y194-L609 HydrophobicContact CE1-CD1 4.23Å; Y194-F612 HydrophobicContact CE2-CB 4.11Å; Y194-F612 VanDerWaalsContact OH-C 3.25Å; Y194-F612 PolarHBondContact OH-O 3.12Å; Y194-I613 PolarHBondContact OH-N 3.1Å; Y194-I616 HydrophobicContact CE2-CD1 4.08Å; Y194-I616 HydrophobicContact CE2-CG1 3.7Å
195	I	91.2	Very high	89	Confident	103 Å²	103	45.5 Å²	45.5	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-51.9	176.4	-68.3	167.8	0	0	0	110.9	C190 F193 L197 V198 V199	C190-I195 WeakPolarHBondContact O-CB 3.17Å; C190-I195 WeakPolarHBondContact O-CG1 3.46Å; C190-I195 PolarHBondContact O-N 3.49Å; F193-I195 PolarHBondContact O-N 2.98Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.44Å; I195-V198 PolarHBondContact O-N 3.01Å; I195-V199 WeakPolarHBondContact O-CG2 3.34Å; I195-V199 PolarHBondContact O-N 3.42Å; I195-V199 VanDerWaalsContact O-N 3.16Å
196	P	88.2	Confident	89.1	Confident	16 Å²	16	52.2 Å²	52.2	10%	0.104	28%	0.283	C	S	.	.	H	α-helix	trans	-53.5	-42	171.1	-31.6	38.4	0	0	0	113.8	I111 V191 F193 V198 V199 M200	I111-P196 HydrophobicContact CG2-CB 3.52Å; I111-P196 HydrophobicContact CG2-CG 3.98Å; V191-P196 WeakPolarHBondContact O-CD 3.37Å; V191-P196 WeakPolarHBondContact O-CG 3.44Å; F193-P196 WeakPolarHBondContact O-CD 3.05Å; P196-V198 PolarHBondContact O-N 3.31Å; P196-V199 PolarHBondContact O-N 3.47Å; P196-M200 HydrophobicContact CB-CE 4.16Å; P196-M200 WeakPolarHBondContact O-CB 3.48Å; P196-M200 VanDerWaalsContact O-CG 3.25Å; P196-M200 WeakPolarHBondContact O-CG 3.29Å; P196-M200 PolarHBondContact O-N 3.09Å
197	L	90.9	Very high	88.9	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-57	-50.5	178.4	174.8	63	0	0	0	111.8	F193 Y194 I195 V199 M200 L201 I605	F193-L197 HydrophobicContact CD1-CD2 4.4Å; F193-L197 HydrophobicContact CE1-CD2 3.75Å; F193-L197 HydrophobicContact CZ-CD2 4.1Å; F193-L197 WeakPolarHBondContact O-CB 3.48Å; F193-L197 PolarHBondContact O-N 3.43Å; Y194-L197 WeakPolarHBondContact O-CB 3.44Å; Y194-L197 PolarHBondContact O-N 3.31Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.44Å; L197-V199 PolarHBondContact O-N 2.92Å; L197-M200 PolarHBondContact O-N 3.21Å; L197-L201 HydrophobicContact CD1-CD1 3.86Å; L197-L201 HydrophobicContact CD1-CG 4.06Å; L197-L201 HydrophobicContact CG-CD1 3.95Å; L197-L201 WeakPolarHBondContact O-CB 3.11Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.13Å; L197-L201 PolarHBondContact O-N 3.06Å; L197-I605 HydrophobicContact CD1-CB 4.4Å; L197-I605 HydrophobicContact CD1-CD1 3.49Å; L197-I605 VanDerWaalsContact CD1-CD1 3.49Å; L197-I605 HydrophobicContact CD1-CG1 3.52Å; L197-I605 HydrophobicContact CD1-CG2 3.98Å
198	V	91.8	Very high	88.8	Confident	94 Å²	94	52.3 Å²	52.3	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-60.9	-45	178.7	172.1	0	0	0	0	110.8	Y194 I195 P196 L201 V202	Y194-V198 WeakPolarHBondContact O-CG2 3.12Å; Y194-V198 PolarHBondContact O-N 3.44Å; Y194-V198 VanDerWaalsContact O-N 3.11Å; I195-V198 PolarHBondContact O-N 3.01Å; P196-V198 PolarHBondContact O-N 3.31Å; V198-L201 PolarHBondContact O-N 2.94Å; V198-V202 WeakPolarHBondContact O-CG2 3.41Å; V198-V202 PolarHBondContact O-N 3.22Å
199	V	89.6	Confident	88.9	Confident	73 Å²	73	59.4 Å²	59.4	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-49.1	176.8	174	0	0	0	0	111	I195 P196 L197 L201 V202 V203	I195-V199 WeakPolarHBondContact O-CG2 3.34Å; I195-V199 PolarHBondContact O-N 3.42Å; I195-V199 VanDerWaalsContact O-N 3.16Å; P196-V199 PolarHBondContact O-N 3.47Å; L197-V199 PolarHBondContact O-N 2.92Å; V199-L201 PolarHBondContact O-N 3.25Å; V199-V202 PolarHBondContact O-N 3.12Å; V199-V203 HydrophobicContact CG1-CG2 4.34Å; V199-V203 WeakPolarHBondContact O-CB 3.3Å; V199-V203 VanDerWaalsContact O-CG2 3.24Å; V199-V203 WeakPolarHBondContact O-CG2 3.14Å; V199-V203 PolarHBondContact O-N 2.97Å
200	M	87.7	Confident	88.7	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-44.4	-179.6	-70.8	-174.8	-63.9	0	0	111.8	I111 L114 C115 P196 L197 V203 Y204 M601	I111-M200 HydrophobicContact CG2-CE 4.31Å; L114-M200 HydrophobicContact CB-SD 3.97Å; C115-M200 HydrophobicContact CB-SD 4.45Å; C115-M200 PolarHBondContact SG-SD 3.43Å; P196-M200 HydrophobicContact CB-CE 4.16Å; P196-M200 WeakPolarHBondContact O-CB 3.48Å; P196-M200 VanDerWaalsContact O-CG 3.25Å; P196-M200 WeakPolarHBondContact O-CG 3.29Å; P196-M200 PolarHBondContact O-N 3.09Å; L197-M200 PolarHBondContact O-N 3.21Å; M200-V203 PolarHBondContact O-N 3.13Å; M200-Y204 WeakPolarHBondContact O-CB 3.44Å; M200-Y204 WeakPolarHBondContact O-CD2 3.37Å; M200-Y204 PolarHBondContact O-N 3.02Å; M200-M601 HydrophobicContact CB-CE 4.19Å; M200-M601 HydrophobicContact CE-CE 3.82Å; M200-M601 HydrophobicContact CG-CE 4.22Å; M200-M601 HydrophobicContact SD-CE 3.21Å; M200-M601 WeakPolarHBondContact SD-CE 3.28Å; M200-M601 HydrophobicContact SD-SD 4.34Å
201	L	91.1	Very high	88.2	Confident	95 Å²	95	59.4 Å²	59.4	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-46.3	177.1	-73.2	172.5	0	0	0	112	L197 V198 V199 Y204 A205 I605	L197-L201 HydrophobicContact CD1-CD1 3.86Å; L197-L201 HydrophobicContact CD1-CG 4.06Å; L197-L201 HydrophobicContact CG-CD1 3.95Å; L197-L201 WeakPolarHBondContact O-CB 3.11Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.13Å; L197-L201 PolarHBondContact O-N 3.06Å; V198-L201 PolarHBondContact O-N 2.94Å; V199-L201 PolarHBondContact O-N 3.25Å; L201-Y204 PolarHBondContact O-N 3.47Å; L201-A205 VanDerWaalsContact O-CB 3.25Å; L201-A205 WeakPolarHBondContact O-CB 3.19Å; L201-A205 PolarHBondContact O-N 2.96Å; L201-I605 HydrophobicContact CD2-CD1 3.99Å
202	V	91.2	Very high	88	Confident	75 Å²	75	58 Å²	58	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-43.4	177.4	171.2	0	0	0	0	111.3	V198 V199 R206	V198-V202 WeakPolarHBondContact O-CG2 3.41Å; V198-V202 PolarHBondContact O-N 3.22Å; V199-V202 PolarHBondContact O-N 3.12Å; V202-R206 WeakPolarHBondContact O-CG 3.19Å; V202-R206 PolarHBondContact O-N 3.42Å
203	V	88.9	Confident	87.8	Confident	19 Å²	19	61.6 Å²	61.6	12%	0.115	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-48.5	178.5	169.1	0	0	0	0	111.3	A118 F122 V199 M200 A205 R206 I207	A118-V203 HydrophobicContact CB-CB 4.48Å; A118-V203 HydrophobicContact CB-CG1 3.82Å; A118-V203 WeakPolarHBondContact O-CG1 3.5Å; F122-V203 HydrophobicContact CB-CG1 3.9Å; F122-V203 HydrophobicContact CG-CG1 4.42Å; V199-V203 HydrophobicContact CG1-CG2 4.34Å; V199-V203 WeakPolarHBondContact O-CB 3.3Å; V199-V203 VanDerWaalsContact O-CG2 3.24Å; V199-V203 WeakPolarHBondContact O-CG2 3.14Å; V199-V203 PolarHBondContact O-N 2.97Å; M200-V203 PolarHBondContact O-N 3.13Å; V203-A205 PolarHBondContact O-N 3.16Å; V203-R206 WeakPolarHBondContact O-CB 3.3Å; V203-R206 PolarHBondContact O-N 2.92Å; V203-I207 HydrophobicContact CG1-CD1 3.74Å; V203-I207 HydrophobicContact CG1-CG1 4.41Å; V203-I207 VanDerWaalsContact O-CG1 3.31Å; V203-I207 WeakPolarHBondContact O-CG1 3.29Å; V203-I207 PolarHBondContact O-N 3.4Å
204	Y	87.5	Confident	87.2	Confident	32 Å²	32	63.4 Å²	63.4	13%	0.125	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-34.8	178.5	-87.6	-83.2	0	0	0	113.1	A118 M200 L201 R206 I207 Y208 L597 M601	A118-Y204 HydrophobicContact CB-CD2 4.03Å; A118-Y204 HydrophobicContact CB-CE2 3.46Å; A118-Y204 VanDerWaalsContact CB-CE2 3.46Å; M200-Y204 WeakPolarHBondContact O-CB 3.44Å; M200-Y204 WeakPolarHBondContact O-CD2 3.37Å; M200-Y204 PolarHBondContact O-N 3.02Å; L201-Y204 PolarHBondContact O-N 3.47Å; Y204-R206 VanDerWaalsContact C-N 3.33Å; Y204-R206 PolarHBondContact O-N 3.26Å; Y204-I207 HydrophobicContact CD1-CD1 4.3Å; Y204-I207 HydrophobicContact CE1-CD1 4.5Å; Y204-I207 PolarHBondContact O-N 2.92Å; Y204-Y208 WeakPolarHBondContact O-CB 3.48Å; Y204-Y208 PolarHBondContact O-N 3.24Å; Y204-L597 HydrophobicContact CE1-CB 4.31Å; Y204-M601 HydrophobicContact CD2-CG 3.78Å; Y204-M601 HydrophobicContact CE1-CG 4.16Å; Y204-M601 HydrophobicContact CE2-CB 4.5Å; Y204-M601 HydrophobicContact CE2-CG 3.22Å; Y204-M601 HydrophobicContact CE2-SD 3.76Å; Y204-M601 HydrophobicContact CG-CG 4.45Å; Y204-M601 VanDerWaalsContact CZ-CG 3.42Å
205	A	88.9	Confident	86.2	Confident	45 Å²	45	61.7 Å²	61.7	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-40.9	171.8	0	0	0	0	0	111.8	L201 V203 R209	L201-A205 VanDerWaalsContact O-CB 3.25Å; L201-A205 WeakPolarHBondContact O-CB 3.19Å; L201-A205 PolarHBondContact O-N 2.96Å; V203-A205 PolarHBondContact O-N 3.16Å; A205-R209 WeakPolarHBondContact O-CB 3.4Å; A205-R209 VanDerWaalsContact O-CG 3.25Å; A205-R209 WeakPolarHBondContact O-CG 3.41Å; A205-R209 PolarHBondContact O-N 2.92Å; A205-R209 VanDerWaalsContact O-N 3.09Å
206	R	90.3	Very high	85.4	Confident	151 Å²	151	62.9 Å²	62.9	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-65	-49.9	173.1	-74.6	-179.9	171.1	-161.2	-2.4	111.8	F122 V202 V203 Y204 Y208 R209 T210	F122-R206 HydrophobicContact CD2-CB 4.36Å; F122-R206 HydrophobicContact CE2-CB 4.05Å; V202-R206 WeakPolarHBondContact O-CG 3.19Å; V202-R206 PolarHBondContact O-N 3.42Å; V203-R206 WeakPolarHBondContact O-CB 3.3Å; V203-R206 PolarHBondContact O-N 2.92Å; Y204-R206 VanDerWaalsContact C-N 3.33Å; Y204-R206 PolarHBondContact O-N 3.26Å; R206-Y208 VanDerWaalsContact C-N 3.3Å; R206-Y208 PolarHBondContact O-N 3.26Å; R206-R209 PolarHBondContact O-N 3.44Å; R206-T210 PolarHBondContact O-N 3.47Å; R206-T210 PolarHBondContact O-OG1 2.98Å
207	I	87	Confident	84.5	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-51.8	-48.3	175.8	-71.1	166.2	0	0	0	110.9	R121 F122 T125 V203 Y204 A211	R121-I207 HydrophobicContact CB-CD1 3.88Å; F122-I207 HydrophobicContact CB-CD1 4.2Å; F122-I207 HydrophobicContact CB-CG1 4.19Å; F122-I207 HydrophobicContact CD2-CG1 4.31Å; T125-I207 HydrophobicContact CG2-CG2 4.08Å; V203-I207 HydrophobicContact CG1-CD1 3.74Å; V203-I207 HydrophobicContact CG1-CG1 4.41Å; V203-I207 VanDerWaalsContact O-CG1 3.31Å; V203-I207 WeakPolarHBondContact O-CG1 3.29Å; V203-I207 PolarHBondContact O-N 3.4Å; Y204-I207 HydrophobicContact CD1-CD1 4.3Å; Y204-I207 HydrophobicContact CE1-CD1 4.5Å; Y204-I207 PolarHBondContact O-N 2.92Å; I207-A211 WeakPolarHBondContact O-CB 3.37Å; I207-A211 PolarHBondContact O-N 3.4Å
208	Y	85.9	Confident	83.3	Confident	160 Å²	160	67.1 Å²	67.1	63%	0.627	33%	0.329	S	S	*	.	H	α-helix	trans	-64.2	-43.9	-179.3	-176.9	-100.3	0	0	0	112.4	Y204 R206 N212	Y204-Y208 WeakPolarHBondContact O-CB 3.48Å; Y204-Y208 PolarHBondContact O-N 3.24Å; R206-Y208 VanDerWaalsContact C-N 3.3Å; R206-Y208 PolarHBondContact O-N 3.26Å; Y208-N212 WeakPolarHBondContact CE1-ND2 3.16Å; Y208-N212 VanDerWaalsContact O-CB 3.31Å; Y208-N212 WeakPolarHBondContact O-CB 3.15Å; Y208-N212 PolarHBondContact O-N 2.99Å; Y208-N212 PolarHBondContact O-ND2 2.94Å; Y208-N212 PolarHBondContact OH-ND2 3.05Å
209	R	88	Confident	82	Confident	176 Å²	176	68.7 Å²	68.7	66%	0.664	33%	0.328	S	S	*	.	H	α-helix	trans	-63.6	-51.3	176.3	-72.1	173.1	-175.1	-171	3.5	111.4	A205 R206 N212 N213	A205-R209 WeakPolarHBondContact O-CB 3.4Å; A205-R209 VanDerWaalsContact O-CG 3.25Å; A205-R209 WeakPolarHBondContact O-CG 3.41Å; A205-R209 PolarHBondContact O-N 2.92Å; A205-R209 VanDerWaalsContact O-N 3.09Å; R206-R209 PolarHBondContact O-N 3.44Å; R209-N212 PolarHBondContact O-N 3.47Å; R209-N213 WeakPolarHBondContact O-CB 3.22Å; R209-N213 VanDerWaalsContact O-CG 3.26Å; R209-N213 PolarHBondContact O-N 3.15Å; R209-N213 PolarHBondContact O-ND2 3.21Å
210	T	84.9	Confident	80.8	Confident	30 Å²	30	68.8 Å²	68.8	18%	0.184	33%	0.329	C	S	.	.	H	α-helix	trans	-60.3	-48	178.6	-65.4	0	0	0	0	111.1	E126 R206 N212 N213 L214	E126-T210 WeakPolarHBondContact OE2-CG2 3.29Å; E126-T210 PolarHBondContact OE2-OG1 3.44Å; R206-T210 PolarHBondContact O-N 3.47Å; R206-T210 PolarHBondContact O-OG1 2.98Å; T210-N212 PolarHBondContact O-N 3.22Å; T210-N213 PolarHBondContact O-N 3.48Å; T210-L214 HydrophobicContact CG2-CD1 3.9Å; T210-L214 HydrophobicContact CG2-CG 4.35Å; T210-L214 WeakPolarHBondContact O-CB 3.32Å; T210-L214 WeakPolarHBondContact O-CG 3.32Å; T210-L214 PolarHBondContact O-N 3.43Å
211	A	79.6	Confident	79.1	Confident	6 Å²	6	71.2 Å²	71.2	5%	0.05	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-39.3	179.5	0	0	0	0	0	113.1	I207 M215	I207-A211 WeakPolarHBondContact O-CB 3.37Å; I207-A211 PolarHBondContact O-N 3.4Å; A211-M215 VanDerWaalsContact O-CB 3.29Å; A211-M215 WeakPolarHBondContact O-CB 3.31Å; A211-M215 PolarHBondContact O-N 3.36Å
212	N	80.9	Confident	77	Confident	44 Å²	44	68.9 Å²	68.9	24%	0.235	34%	0.342	C	S	.	.	H	α-helix	trans	-69.4	-37.6	175.7	-81.5	-25.8	0	0	0	112.7	Y208 R209 T210 M215 K216 Q591	Y208-N212 WeakPolarHBondContact CE1-ND2 3.16Å; Y208-N212 VanDerWaalsContact O-CB 3.31Å; Y208-N212 WeakPolarHBondContact O-CB 3.15Å; Y208-N212 PolarHBondContact O-N 2.99Å; Y208-N212 PolarHBondContact O-ND2 2.94Å; Y208-N212 PolarHBondContact OH-ND2 3.05Å; R209-N212 PolarHBondContact O-N 3.47Å; T210-N212 PolarHBondContact O-N 3.22Å; N212-M215 PolarHBondContact O-N 3.44Å; N212-K216 WeakPolarHBondContact O-CG 3.46Å; N212-K216 PolarHBondContact O-N 3.16Å; N212-Q591 PolarHBondContact OD1-NE2 2.98Å
213	N	80.6	Confident	74.7	Confident	88 Å²	88	72.5 Å²	72.5	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-67.2	-45.2	176.1	-70.7	-15.6	0	0	0	111.2	R209 T210 M215 K216 C217	R209-N213 WeakPolarHBondContact O-CB 3.22Å; R209-N213 VanDerWaalsContact O-CG 3.26Å; R209-N213 PolarHBondContact O-N 3.15Å; R209-N213 PolarHBondContact O-ND2 3.21Å; T210-N213 PolarHBondContact O-N 3.48Å; N213-M215 VanDerWaalsContact C-N 3.32Å; N213-M215 PolarHBondContact O-N 3.07Å; N213-K216 WeakPolarHBondContact O-CB 3.34Å; N213-K216 PolarHBondContact O-N 3.12Å; N213-K216 VanDerWaalsContact O-N 3.09Å; N213-C217 PolarHBondContact O-N 3.47Å; N213-C217 PolarHBondContact O-SG 2.93Å; N213-C217 VanDerWaalsContact O-SG 3.38Å
214	L	74.6	Confident	72.3	Confident	38 Å²	38	75.7 Å²	75.7	20%	0.199	37%	0.367	C	S	.	.	H	α-helix	trans	-57.3	-44.3	171.9	-70.4	171.7	0	0	0	111.8	T210 K216 C217 F218 F587	T210-L214 HydrophobicContact CG2-CD1 3.9Å; T210-L214 HydrophobicContact CG2-CG 4.35Å; T210-L214 WeakPolarHBondContact O-CB 3.32Å; T210-L214 WeakPolarHBondContact O-CG 3.32Å; T210-L214 PolarHBondContact O-N 3.43Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.03Å; L214-C217 PolarHBondContact O-N 3.34Å; L214-F218 HydrophobicContact CB-CE2 4.43Å; L214-F218 WeakPolarHBondContact O-CD2 3.39Å; L214-F218 PolarHBondContact O-N 3.45Å; L214-F587 HydrophobicContact CB-CE1 3.97Å; L214-F587 HydrophobicContact CB-CE2 4.38Å; L214-F587 HydrophobicContact CB-CZ 3.57Å; L214-F587 HydrophobicContact CD1-CE2 3.84Å; L214-F587 HydrophobicContact CD1-CZ 3.66Å; L214-F587 HydrophobicContact CG-CZ 4.28Å
215	M	71.6	Confident	69.7	Low	24 Å²	24	76.2 Å²	76.2	12%	0.118	37%	0.373	C	S	.	.	H	α-helix	trans	-66.2	-28.9	176.7	-173.4	57.9	75	0	0	113.1	A211 N212 N213 K219 F587 A588	A211-M215 VanDerWaalsContact O-CB 3.29Å; A211-M215 WeakPolarHBondContact O-CB 3.31Å; A211-M215 PolarHBondContact O-N 3.36Å; N212-M215 PolarHBondContact O-N 3.44Å; N213-M215 VanDerWaalsContact C-N 3.32Å; N213-M215 PolarHBondContact O-N 3.07Å; M215-K219 WeakPolarHBondContact O-CD 3.47Å; M215-K219 VanDerWaalsContact O-CG 3.28Å; M215-K219 WeakPolarHBondContact O-CG 3.23Å; M215-K219 PolarHBondContact O-N 3.23Å; M215-F587 HydrophobicContact CB-CE1 4.46Å; M215-F587 HydrophobicContact CE-CD1 3.85Å; M215-F587 HydrophobicContact CE-CE1 4.18Å; M215-A588 HydrophobicContact CE-CB 4.3Å
216	K	74	Confident	67.1	Low	127 Å²	127	79.5 Å²	79.5	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-67.7	-48.9	170	-73.1	168.5	-177.2	175.4	0	110.6	N212 N213 L214 F218 K219 T220	N212-K216 WeakPolarHBondContact O-CG 3.46Å; N212-K216 PolarHBondContact O-N 3.16Å; N213-K216 WeakPolarHBondContact O-CB 3.34Å; N213-K216 PolarHBondContact O-N 3.12Å; N213-K216 VanDerWaalsContact O-N 3.09Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.03Å; K216-F218 VanDerWaalsContact C-N 3.32Å; K216-F218 PolarHBondContact O-N 3.36Å; K216-K219 WeakPolarHBondContact O-CA 3.43Å; K216-K219 WeakPolarHBondContact O-CB 3.35Å; K216-K219 PolarHBondContact O-N 3.45Å; K216-T220 PolarHBondContact O-N 3.19Å; K216-T220 PolarHBondContact O-OG1 3.39Å
217	C	69.3	Low	64.1	Low	31 Å²	31	81.1 Å²	81.1	21%	0.209	40%	0.396	C	S	.	.	H	α-helix	trans	-59	-39.8	177.7	-61.9	0	0	0	0	112.8	N213 L214 K219 T220 G221 E222	N213-C217 PolarHBondContact O-N 3.47Å; N213-C217 PolarHBondContact O-SG 2.93Å; N213-C217 VanDerWaalsContact O-SG 3.38Å; L214-C217 PolarHBondContact O-N 3.34Å; C217-K219 VanDerWaalsContact C-N 3.26Å; C217-K219 PolarHBondContact O-N 3.39Å; C217-T220 WeakPolarHBondContact CA-OG1 3.44Å; C217-T220 PolarHBondContact O-N 2.94Å; C217-T220 PolarHBondContact O-OG1 3.21Å; C217-T220 VanDerWaalsContact O-OG1 3.08Å; C217-G221 PolarHBondContact O-N 3.03Å; C217-E222 PolarHBondContact O-N 3Å
218	F	66.2	Low	61.4	Low	91 Å²	91	85.2 Å²	85.2	40%	0.399	43%	0.425	S	S	.	.	H	α-helix	trans	-66.3	-24.5	174.3	-72.5	-56.1	0	0	0	113.8	L214 K216 V584 F587	L214-F218 HydrophobicContact CB-CE2 4.43Å; L214-F218 WeakPolarHBondContact O-CD2 3.39Å; L214-F218 PolarHBondContact O-N 3.45Å; K216-F218 VanDerWaalsContact C-N 3.32Å; K216-F218 PolarHBondContact O-N 3.36Å; F218-V584 HydrophobicContact CB-CG2 4.29Å; F218-V584 HydrophobicContact CD1-CG2 4.08Å; F218-V584 HydrophobicContact CG-CG2 4.23Å; F218-F587 HydrophobicContact CD2-CD1 4.05Å; F218-F587 HydrophobicContact CD2-CE1 4.35Å; F218-F587 AromaticContact CE2-CD1 3.93Å; F218-F587 HydrophobicContact CE2-CD1 3.93Å; F218-F587 HydrophobicContact CE2-CD2 4.36Å; F218-F587 HydrophobicContact CE2-CE1 4.24Å; F218-F587 HydrophobicContact CE2-CG 4Å
219	K	63.2	Low	58.7	Low	128 Å²	128	85.6 Å²	85.6	56%	0.557	44%	0.438	S	S	*	.	H	α-helix	trans	-83.6	-36.9	175.1	-72.6	169.2	-178.8	177.1	0	112.8	M215 K216 C217 G221	M215-K219 WeakPolarHBondContact O-CD 3.47Å; M215-K219 VanDerWaalsContact O-CG 3.28Å; M215-K219 WeakPolarHBondContact O-CG 3.23Å; M215-K219 PolarHBondContact O-N 3.23Å; K216-K219 WeakPolarHBondContact O-CA 3.43Å; K216-K219 WeakPolarHBondContact O-CB 3.35Å; K216-K219 PolarHBondContact O-N 3.45Å; C217-K219 VanDerWaalsContact C-N 3.26Å; C217-K219 PolarHBondContact O-N 3.39Å; K219-G221 VanDerWaalsContact C-N 3.3Å
220	T	66	Low	56.2	Low	75 Å²	75	82 Å²	82	46%	0.46	44%	0.436	S	S	.	.	H	α-helix	trans	-75.8	-20.6	177.2	52.3	0	0	0	0	112.6	K216 C217 E222	K216-T220 PolarHBondContact O-N 3.19Å; K216-T220 PolarHBondContact O-OG1 3.39Å; C217-T220 WeakPolarHBondContact CA-OG1 3.44Å; C217-T220 PolarHBondContact O-N 2.94Å; C217-T220 PolarHBondContact O-OG1 3.21Å; C217-T220 VanDerWaalsContact O-OG1 3.08Å; T220-E222 VanDerWaalsContact C-N 3.28Å; T220-E222 WeakPolarHBondContact CB-OE2 3.18Å; T220-E222 VanDerWaalsContact OG1-CD 3.24Å; T220-E222 WeakPolarHBondContact OG1-CG 3.39Å; T220-E222 PolarHBondContact OG1-OE2 3.5Å
221	G	51.9	Low	53.7	Low	56 Å²	56	89.4 Å²	89.4	58%	0.577	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	12.7	-176.4	0	0	0	0	0	113.4	C217 K219	C217-G221 PolarHBondContact O-N 3.03Å; K219-G221 VanDerWaalsContact C-N 3.3Å
222	E	47.2	Very low	51.2	Low	45 Å²	45	98.4 Å²	98.4	21%	0.21	51%	0.507	C	S	.	.			trans	-70.8	129.6	-177.8	-71.6	165.2	140.3	0	0	111.1	C217 T220 R283	C217-E222 PolarHBondContact O-N 3Å; T220-E222 VanDerWaalsContact C-N 3.28Å; T220-E222 WeakPolarHBondContact CB-OE2 3.18Å; T220-E222 VanDerWaalsContact OG1-CD 3.24Å; T220-E222 WeakPolarHBondContact OG1-CG 3.39Å; T220-E222 PolarHBondContact OG1-OE2 3.5Å; E222-R283 WeakPolarHBondContact OE1-CD 3.39Å
223	K	42.2	Very low	48.9	Very low	151 Å²	151	105.1 Å²	105.1	66%	0.657	54%	0.536	S	S	*	.			trans	-97.8	99.4	176.5	-173.7	-166.7	176.7	-162.9	0	109.3	V225	K223-V225 HydrophobicContact CD-CG2 4.09Å; K223-V225 HydrophobicContact CG-CG2 4.24Å; K223-V225 PolarHBondContact O-N 3.06Å
224	I	39	Very low	46.3	Very low	87 Å²	87	104.4 Å²	104.4	45%	0.446	54%	0.538	S	S	.	.			trans	-65.6	120.5	168.9	-52.7	176.8	0	0	0	108.1	V226	I224-V226 HydrophobicContact CG2-CG2 3.91Å
225	V	33.1	Very low	44.3	Very low	42 Å²	42	107.6 Å²	107.6	26%	0.255	56%	0.562	S	S	.	*			trans	-108	96.2	172.6	179.5	0	0	0	0	107	K223 Y227 L282	K223-V225 HydrophobicContact CD-CG2 4.09Å; K223-V225 HydrophobicContact CG-CG2 4.24Å; K223-V225 PolarHBondContact O-N 3.06Å; V225-Y227 HydrophobicContact CG1-CD2 4.44Å; V225-Y227 PolarHBondContact O-N 2.99Å; V225-L282 HydrophobicContact CB-CD1 4.42Å; V225-L282 HydrophobicContact CG2-CB 4.41Å; V225-L282 HydrophobicContact CG2-CD1 4.34Å
226	V	34.6	Very low	42.5	Very low	115 Å²	115	110.7 Å²	110.7	70%	0.697	59%	0.586	S	S	*	*			trans	-79.6	109.5	171.9	-175.6	0	0	0	0	107.6	I224	I224-V226 HydrophobicContact CG2-CG2 3.91Å
227	Y	26.8	Very low	40.6	Very low	184 Å²	184	107.8 Å²	107.8	72%	0.722	58%	0.581	S	S	*	*			trans	-74.3	131	164.1	-113.2	-86.4	0	0	0	108.7	V225	V225-Y227 HydrophobicContact CG1-CD2 4.44Å; V225-Y227 PolarHBondContact O-N 2.99Å
228	S	29.4	Very low	38.9	Very low	91 Å²	91	112.6 Å²	112.6	64%	0.636	60%	0.604	S	S	*	*			trans	-88	134.6	165.2	45	0	0	0	0	109	T230	S228-T230 PolarHBondContact O-N 3.45Å
229	N	30.2	Very low	37.4	Very low	168 Å²	168	113.5 Å²	113.5	90%	0.898	61%	0.613	S	S	*	*			trans	-67.6	91.6	179.7	-89.4	-10.9	0	0	0	111.6	K231	N229-K231 PolarHBondContact O-N 3.48Å
230	T	34.8	Very low	35.9	Very low	101 Å²	101	113.9 Å²	113.9	62%	0.62	62%	0.615	S	S	*	*			trans	-79.2	95.6	158.3	44	0	0	0	0	109.2	S228 P468	S228-T230 PolarHBondContact O-N 3.45Å; T230-P468 HydrophobicContact CG2-CG 4.3Å
231	K	32.6	Very low	34.2	Very low	186 Å²	186	116.4 Å²	116.4	81%	0.809	63%	0.625	S	S	*	*			trans	14.6	115.2	161.1	-64.1	-172.4	172.3	-164.5	0	118	N229	N229-K231 PolarHBondContact O-N 3.48Å
232	Q	28.3	Very low	33.3	Very low	195 Å²	195	115.9 Å²	115.9	91%	0.911	62%	0.615	S	S	*	*			trans	31	89	146.3	-71.9	167.9	-52.8	0	0	116.9
233	Q	31.3	Very low	32.7	Very low	184 Å²	184	117.6 Å²	117.6	86%	0.86	63%	0.629	S	S	*	*			trans	-119.7	148.3	146.2	-85.9	178	-35.6	0	0	108.8
234	S	27	Very low	32.3	Very low	73 Å²	73	113.5 Å²	113.5	51%	0.51	61%	0.614	S	S	.	*			trans	-63.6	145.4	-164.9	48.7	0	0	0	0	113.8	S236 S237	S234-S236 VanDerWaalsContact C-N 3.26Å; S234-S236 PolarHBondContact O-N 3.4Å; S234-S236 VanDerWaalsContact O-N 3.15Å; S234-S237 PolarHBondContact O-N 3.21Å; S234-S237 PolarHBondContact O-OG 3.39Å
235	P	32.6	Very low	32.2	Very low	106 Å²	106	114.4 Å²	114.4	69%	0.688	62%	0.623	S	S	*	*	H	α-helix	trans	-61.5	-27.6	-171.7	21.8	-32.6	0	0	0	114.5	S237 L238	P235-S237 VanDerWaalsContact C-N 3.3Å; P235-S237 PolarHBondContact O-N 2.99Å; P235-L238 PolarHBondContact O-N 2.98Å
236	S	33.9	Very low	32.4	Very low	89 Å²	89	118.2 Å²	118.2	62%	0.622	64%	0.642	S	S	*	*	H	α-helix	trans	-63.5	-27	-176.3	51.5	0	0	0	0	115.1	S234	S234-S236 VanDerWaalsContact C-N 3.26Å; S234-S236 PolarHBondContact O-N 3.4Å; S234-S236 VanDerWaalsContact O-N 3.15Å
237	S	33.7	Very low	32.3	Very low	65 Å²	65	115.8 Å²	115.8	46%	0.455	63%	0.625	S	S	.	*	H	α-helix	trans	-83	-24.1	-179.9	59.8	0	0	0	0	113.4	S234 P235 L241	S234-S237 PolarHBondContact O-N 3.21Å; S234-S237 PolarHBondContact O-OG 3.39Å; P235-S237 VanDerWaalsContact C-N 3.3Å; P235-S237 PolarHBondContact O-N 2.99Å; S237-L241 PolarHBondContact O-N 3.29Å
238	L	33.3	Very low	32.9	Very low	133 Å²	133	113 Å²	113	70%	0.696	62%	0.618	S	S	*	*	H	α-helix	trans	-74.1	-40.8	178.4	-132.6	80.6	0	0	0	111.6	P235 F240 L241 A242	P235-L238 PolarHBondContact O-N 2.98Å; L238-F240 VanDerWaalsContact C-N 3.33Å; L238-F240 PolarHBondContact O-N 2.92Å; L238-L241 PolarHBondContact O-N 3.36Å; L238-A242 PolarHBondContact O-N 3.06Å
239	D	33.7	Very low	33.2	Very low	109 Å²	109	114 Å²	114	58%	0.583	62%	0.617	S	S	*	*	H	α-helix	trans	-65.5	-35.3	177	-71.1	-28.1	0	0	0	112	L241 A242 T243	D239-L241 VanDerWaalsContact C-N 3.35Å; D239-L241 PolarHBondContact O-N 3.36Å; D239-A242 PolarHBondContact O-N 2.96Å; D239-T243 WeakPolarHBondContact O-CB 3.43Å; D239-T243 WeakPolarHBondContact O-CG2 3.41Å; D239-T243 PolarHBondContact O-N 3.39Å; D239-T243 PolarHBondContact O-OG1 2.85Å
240	F	31.6	Very low	33.4	Very low	137 Å²	137	112.1 Å²	112.1	60%	0.601	60%	0.601	S	S	*	*	H	α-helix	trans	-66.3	-34.3	174.3	-168.9	-103.4	0	0	0	112.9	L238 T243 N244	L238-F240 VanDerWaalsContact C-N 3.33Å; L238-F240 PolarHBondContact O-N 2.92Å; F240-T243 WeakPolarHBondContact CA-OG1 3.28Å; F240-T243 PolarHBondContact O-OG1 3.07Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.39Å; F240-N244 VanDerWaalsContact CE1-ND2 3.25Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.1Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.5Å; F240-N244 WeakPolarHBondContact O-CB 3.29Å; F240-N244 PolarHBondContact O-N 2.9Å; F240-N244 PolarHBondContact O-ND2 2.98Å
241	L	31	Very low	33.6	Very low	128 Å²	128	112.1 Å²	112.1	67%	0.67	59%	0.594	S	S	*	*	H	α-helix	trans	-75.5	-39.3	175.6	-140.1	82.3	0	0	0	111.7	S237 L238 D239 V245	S237-L241 PolarHBondContact O-N 3.29Å; L238-L241 PolarHBondContact O-N 3.36Å; D239-L241 VanDerWaalsContact C-N 3.35Å; D239-L241 PolarHBondContact O-N 3.36Å; L241-V245 WeakPolarHBondContact O-CG2 3.33Å; L241-V245 PolarHBondContact O-N 3.36Å
242	A	32.5	Very low	33.8	Very low	45 Å²	45	108.7 Å²	108.7	37%	0.372	58%	0.578	S	S	.	*	H	α-helix	trans	-64.2	-47.6	175.6	0	0	0	0	0	111.7	L238 D239 N244 V245 L246	L238-A242 PolarHBondContact O-N 3.06Å; D239-A242 PolarHBondContact O-N 2.96Å; A242-N244 PolarHBondContact O-N 3.23Å; A242-V245 PolarHBondContact O-N 2.96Å; A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 WeakPolarHBondContact O-CG 3.43Å; A242-L246 PolarHBondContact O-N 3.4Å
243	T	35.5	Very low	34.2	Very low	81 Å²	81	105.1 Å²	105.1	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-65	-34.9	177.9	48.5	0	0	0	0	113	D239 F240 V245 L246 N247	D239-T243 WeakPolarHBondContact O-CB 3.43Å; D239-T243 WeakPolarHBondContact O-CG2 3.41Å; D239-T243 PolarHBondContact O-N 3.39Å; D239-T243 PolarHBondContact O-OG1 2.85Å; F240-T243 WeakPolarHBondContact CA-OG1 3.28Å; F240-T243 PolarHBondContact O-OG1 3.07Å; T243-V245 VanDerWaalsContact C-N 3.33Å; T243-V245 PolarHBondContact O-N 3.08Å; T243-L246 CarbonylContact O-C 3.47Å; T243-L246 PolarHBondContact O-N 3.24Å; T243-N247 PolarHBondContact O-N 3.45Å
244	N	33.6	Very low	34.6	Very low	64 Å²	64	106 Å²	106	34%	0.342	56%	0.557	S	S	.	*	H	α-helix	trans	-68.4	-28	174.2	-88.1	-67.9	0	0	0	113.9	F240 A242	F240-N244 WeakPolarHBondContact CD1-ND2 3.39Å; F240-N244 VanDerWaalsContact CE1-ND2 3.25Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.1Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.5Å; F240-N244 WeakPolarHBondContact O-CB 3.29Å; F240-N244 PolarHBondContact O-N 2.9Å; F240-N244 PolarHBondContact O-ND2 2.98Å; A242-N244 PolarHBondContact O-N 3.23Å
245	V	37.4	Very low	35	Very low	107 Å²	107	105.7 Å²	105.7	65%	0.648	55%	0.55	S	S	*	.	H	α-helix	trans	-80.5	-29.1	171.5	174.8	0	0	0	0	111.8	L241 A242 T243 Q251	L241-V245 WeakPolarHBondContact O-CG2 3.33Å; L241-V245 PolarHBondContact O-N 3.36Å; A242-V245 PolarHBondContact O-N 2.96Å; T243-V245 VanDerWaalsContact C-N 3.33Å; T243-V245 PolarHBondContact O-N 3.08Å; V245-Q251 PolarHBondContact O-NE2 2.67Å; V245-Q251 VanDerWaalsContact O-NE2 3.08Å
246	L	36.4	Very low	35.1	Very low	121 Å²	121	108.7 Å²	108.7	63%	0.634	55%	0.552	S	S	*	*	H	α-helix	trans	-88.1	-1.3	178.3	-74.2	165.3	0	0	0	114.7	A242 T243 E248	A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 WeakPolarHBondContact O-CG 3.43Å; A242-L246 PolarHBondContact O-N 3.4Å; T243-L246 CarbonylContact O-C 3.47Å; T243-L246 PolarHBondContact O-N 3.24Å; L246-E248 PolarHBondContact O-N 3.04Å
247	N	33.5	Very low	35.1	Very low	65 Å²	65	111.9 Å²	111.9	35%	0.348	55%	0.551	S	S	.	*			trans	-66.7	97.1	-178.8	-170	-30.7	0	0	0	110.6	T243 N249 K250 Q251	T243-N247 PolarHBondContact O-N 3.45Å; N247-N249 PolarHBondContact O-N 3.07Å; N247-N249 PolarHBondContact OD1-N 2.71Å; N247-K250 PolarHBondContact O-N 3.33Å; N247-Q251 PolarHBondContact O-N 3.07Å
248	E	37.9	Very low	35.1	Very low	124 Å²	124	110.4 Å²	110.4	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-52.7	-31.8	-176	-71.5	-158.2	155.8	0	0	112.9	L246 Q251 K252	L246-E248 PolarHBondContact O-N 3.04Å; E248-Q251 PolarHBondContact O-N 3.03Å; E248-K252 WeakPolarHBondContact O-CB 3.37Å; E248-K252 VanDerWaalsContact O-CG 3.25Å; E248-K252 WeakPolarHBondContact O-CG 3.47Å; E248-K252 PolarHBondContact O-N 3.35Å; E248-K252 IonicContact OE2-NZ 2.79Å; E248-K252 PolarHBondContact OE2-NZ 3.43Å
249	N	36.4	Very low	35.2	Very low	114 Å²	114	110 Å²	110	61%	0.61	54%	0.535	S	S	*	.	H	α-helix	trans	-72.7	-34.4	-177.8	-68.1	-20	0	0	0	111.7	N247 H253	N247-N249 PolarHBondContact O-N 3.07Å; N247-N249 PolarHBondContact OD1-N 2.71Å; N249-H253 WeakPolarHBondContact O-CB 3.43Å; N249-H253 PolarHBondContact O-N 2.96Å
250	K	35.7	Very low	35.1	Very low	128 Å²	128	109 Å²	109	56%	0.557	54%	0.537	S	S	*	.	H	α-helix	trans	-70.2	-36.1	170.1	-78.6	-177	177.5	173.2	0	111.8	N247 H253 W254	N247-K250 PolarHBondContact O-N 3.33Å; K250-H253 PolarHBondContact O-N 3.22Å; K250-W254 PolarHBondContact O-N 3.4Å
251	Q	37.8	Very low	35.2	Very low	101 Å²	101	111 Å²	111	47%	0.472	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-45.6	172.2	-66.7	-168.3	11.3	0	0	111.8	V245 N247 E248 H253 W254 L255	V245-Q251 PolarHBondContact O-NE2 2.67Å; V245-Q251 VanDerWaalsContact O-NE2 3.08Å; N247-Q251 PolarHBondContact O-N 3.07Å; E248-Q251 PolarHBondContact O-N 3.03Å; Q251-H253 VanDerWaalsContact C-N 3.32Å; Q251-H253 PolarHBondContact O-N 3.02Å; Q251-W254 PolarHBondContact O-N 3.4Å; Q251-L255 WeakPolarHBondContact O-CB 3.31Å; Q251-L255 VanDerWaalsContact O-CG 3.28Å; Q251-L255 WeakPolarHBondContact O-CG 3.18Å; Q251-L255 PolarHBondContact O-N 2.82Å
252	K	36.2	Very low	35.3	Very low	113 Å²	113	109.6 Å²	109.6	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-59.1	-40.5	174.4	-74.8	165.8	-170.2	158.7	0	111.3	E248 K256	E248-K252 WeakPolarHBondContact O-CB 3.37Å; E248-K252 VanDerWaalsContact O-CG 3.25Å; E248-K252 WeakPolarHBondContact O-CG 3.47Å; E248-K252 PolarHBondContact O-N 3.35Å; E248-K252 IonicContact OE2-NZ 2.79Å; E248-K252 PolarHBondContact OE2-NZ 3.43Å; K252-K256 VanDerWaalsContact O-CB 3.29Å; K252-K256 WeakPolarHBondContact O-CB 3.3Å; K252-K256 PolarHBondContact O-N 3.34Å
253	H	37.3	Very low	35	Very low	121 Å²	121	117.8 Å²	117.8	56%	0.56	57%	0.565	S	S	*	*	H	α-helix	trans	-66	-47.3	175.7	-165.1	-95.8	0	0	0	112.5	N249 K250 Q251 L255 K256 Y257	N249-H253 WeakPolarHBondContact O-CB 3.43Å; N249-H253 PolarHBondContact O-N 2.96Å; K250-H253 PolarHBondContact O-N 3.22Å; Q251-H253 VanDerWaalsContact C-N 3.32Å; Q251-H253 PolarHBondContact O-N 3.02Å; H253-L255 VanDerWaalsContact C-N 3.34Å; H253-L255 PolarHBondContact O-N 3.42Å; H253-K256 PolarHBondContact O-N 3.46Å; H253-Y257 WeakPolarHBondContact O-CB 3.14Å; H253-Y257 PolarHBondContact O-N 3.43Å
254	W	39.6	Very low	34.9	Very low	201 Å²	201	119 Å²	119	76%	0.761	57%	0.572	S	S	*	*	H	α-helix	trans	-61.3	-39.7	174.9	-103.5	90	0	0	0	113	K250 Q251 S258	K250-W254 PolarHBondContact O-N 3.4Å; Q251-W254 PolarHBondContact O-N 3.4Å; W254-S258 WeakPolarHBondContact O-CB 3.4Å; W254-S258 PolarHBondContact O-N 2.88Å; W254-S258 PolarHBondContact O-OG 3.33Å; W254-S258 VanDerWaalsContact O-OG 3.1Å
255	L	36.2	Very low	34.5	Very low	68 Å²	68	125.9 Å²	125.9	36%	0.356	60%	0.599	S	S	.	*	H	α-helix	trans	-64.1	-48.8	173.3	-74	165	0	0	0	110.7	Q251 H253 Y257 S258 H259 F267	Q251-L255 WeakPolarHBondContact O-CB 3.31Å; Q251-L255 VanDerWaalsContact O-CG 3.28Å; Q251-L255 WeakPolarHBondContact O-CG 3.18Å; Q251-L255 PolarHBondContact O-N 2.82Å; H253-L255 VanDerWaalsContact C-N 3.34Å; H253-L255 PolarHBondContact O-N 3.42Å; L255-Y257 VanDerWaalsContact C-N 3.29Å; L255-Y257 PolarHBondContact O-N 3.5Å; L255-S258 WeakPolarHBondContact CA-OG 3.48Å; L255-S258 PolarHBondContact O-N 2.91Å; L255-S258 VanDerWaalsContact O-N 3.13Å; L255-S258 PolarHBondContact O-OG 3.45Å; L255-H259 WeakPolarHBondContact O-CB 3.23Å; L255-H259 PolarHBondContact O-CD2 2.86Å; L255-H259 PolarHBondContact O-N 2.89Å; L255-F267 HydrophobicContact CD2-CE1 4.43Å
256	K	35.2	Very low	34	Very low	169 Å²	169	128.4 Å²	128.4	74%	0.735	61%	0.609	S	S	*	*	H	α-helix	trans	-59.6	-37.9	177.8	-154.9	174.9	-172.6	-176.1	0	112.4	K252 H253	K252-K256 VanDerWaalsContact O-CB 3.29Å; K252-K256 WeakPolarHBondContact O-CB 3.3Å; K252-K256 PolarHBondContact O-N 3.34Å; H253-K256 PolarHBondContact O-N 3.46Å
257	Y	33.4	Very low	33.6	Very low	156 Å²	156	129.9 Å²	129.9	61%	0.612	61%	0.61	S	S	*	*	H	α-helix	trans	-75.4	-29	176.6	-136.1	-90.9	0	0	0	113.8	H253 L255 S260	H253-Y257 WeakPolarHBondContact O-CB 3.14Å; H253-Y257 PolarHBondContact O-N 3.43Å; L255-Y257 VanDerWaalsContact C-N 3.29Å; L255-Y257 PolarHBondContact O-N 3.5Å; Y257-S260 PolarHBondContact O-OG 3.24Å
258	S	32.6	Very low	33.4	Very low	33 Å²	33	133 Å²	133	23%	0.231	63%	0.626	C	S	.	*	H	α-helix	trans	-80.1	-29.7	172.7	64.4	0	0	0	0	113	W254 L255 S260 K261 I262	W254-S258 WeakPolarHBondContact O-CB 3.4Å; W254-S258 PolarHBondContact O-N 2.88Å; W254-S258 PolarHBondContact O-OG 3.33Å; W254-S258 VanDerWaalsContact O-OG 3.1Å; L255-S258 WeakPolarHBondContact CA-OG 3.48Å; L255-S258 PolarHBondContact O-N 2.91Å; L255-S258 VanDerWaalsContact O-N 3.13Å; L255-S258 PolarHBondContact O-OG 3.45Å; S258-S260 VanDerWaalsContact C-N 3.31Å; S258-S260 PolarHBondContact O-N 3.25Å; S258-K261 PolarHBondContact O-N 3.42Å; S258-I262 PolarHBondContact O-N 3.47Å
259	H	35.1	Very low	32.9	Very low	124 Å²	124	132.6 Å²	132.6	57%	0.574	63%	0.632	S	S	*	*	H	α-helix	trans	-64.2	-30.9	175.8	-83.6	-139	0	0	0	112.8	L255	L255-H259 WeakPolarHBondContact O-CB 3.23Å; L255-H259 PolarHBondContact O-CD2 2.86Å; L255-H259 PolarHBondContact O-N 2.89Å
260	S	31.9	Very low	32.6	Very low	90 Å²	90	131.9 Å²	131.9	63%	0.629	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-23.9	179.2	69.7	0	0	0	0	114	Y257 S258	Y257-S260 PolarHBondContact O-OG 3.24Å; S258-S260 VanDerWaalsContact C-N 3.31Å; S258-S260 PolarHBondContact O-N 3.25Å
261	K	34.7	Very low	32.3	Very low	179 Å²	179	133.5 Å²	133.5	78%	0.778	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-4.1	-178.2	-75	-170.3	173.8	-175.9	0	115.1	S258	S258-K261 PolarHBondContact O-N 3.42Å
262	I	32.6	Very low	31.9	Very low	97 Å²	97	134.1 Å²	134.1	50%	0.497	65%	0.649	S	S	.	*			trans	-132.3	89.4	-174.8	-53.9	-179.3	0	0	0	111.1	S258 T264	S258-I262 PolarHBondContact O-N 3.47Å; I262-T264 WeakPolarHBondContact CG2-OG1 3.4Å; I262-T264 PolarHBondContact O-N 3.02Å
263	K	27	Very low	31.6	Very low	218 Å²	218	131.5 Å²	131.5	95%	0.948	65%	0.645	S	S	*	*			trans	-73.2	65.5	171.4	-75.4	-173.6	175.4	179.4	0	112.3
264	T	32.7	Very low	31.3	Very low	106 Å²	106	131.3 Å²	131.3	65%	0.65	65%	0.647	S	S	*	*			trans	-145	110.7	163.5	47.5	0	0	0	0	110.8	I262 N266	I262-T264 WeakPolarHBondContact CG2-OG1 3.4Å; I262-T264 PolarHBondContact O-N 3.02Å; T264-N266 PolarHBondContact O-N 3.23Å; T264-N266 VanDerWaalsContact O-N 3.13Å
265	K	25	Very low	30.9	Very low	208 Å²	208	125.4 Å²	125.4	90%	0.904	64%	0.636	S	S	*	*			trans	-62.8	107.8	168	-69.2	177.2	176.4	178.5	0	109.1
266	N	27.1	Very low	30.5	Very low	160 Å²	160	131 Å²	131	86%	0.856	66%	0.66	S	S	*	*			trans	172.8	89.5	155.6	-88.7	-24.7	0	0	0	109.6	T264	T264-N266 PolarHBondContact O-N 3.23Å; T264-N266 VanDerWaalsContact O-N 3.13Å
267	F	27.3	Very low	30.3	Very low	152 Å²	152	125.6 Å²	125.6	67%	0.667	65%	0.653	S	S	*	*			trans	-117.1	129.8	173.8	-125.6	-91	0	0	0	110.1	L255	L255-F267 HydrophobicContact CD2-CE1 4.43Å
268	I	30.1	Very low	30.2	Very low	132 Å²	132	126.6 Å²	126.6	68%	0.677	67%	0.669	S	S	*	*			trans	-112.1	121	178.3	-60	174.1	0	0	0	107.6
269	T	28.2	Very low	30	Very low	115 Å²	115	132.7 Å²	132.7	71%	0.706	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-72.9	130.7	177.6	32.8	0	0	0	0	111.4	Q271	T269-Q271 PolarHBondContact O-N 3.41Å
270	P	28.2	Very low	29.7	Very low	98 Å²	98	133.1 Å²	133.1	64%	0.636	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-76.9	116	171.5	30.5	-31.4	0	0	0	109.8
271	Q	29.8	Very low	29.6	Very low	162 Å²	162	132.5 Å²	132.5	76%	0.757	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-83	119.6	170	-73.3	-162.3	-18.5	0	0	111.1	T269	T269-Q271 PolarHBondContact O-N 3.41Å
272	L	29.3	Very low	29.3	Very low	114 Å²	114	127.6 Å²	127.6	60%	0.597	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-81.1	135.4	164.9	-124	76.5	0	0	0	108.8	L282	L272-L282 HydrophobicContact CD1-CD2 3.83Å; L272-L282 HydrophobicContact CD2-CD2 4.1Å; L272-L282 HydrophobicContact CG-CD2 4.03Å
273	S	30.5	Very low	29.4	Very low	58 Å²	58	128 Å²	128	41%	0.406	66%	0.661	S	S	.	*			trans	-123.4	127.8	164.6	44.2	0	0	0	0	108.9
274	I	30.2	Very low	29.7	Very low	117 Å²	117	121.6 Å²	121.6	60%	0.6	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-101.5	125.4	177	-60.4	173	0	0	0	107	M280	I274-M280 HydrophobicContact CG2-CE 4.09Å
275	S	31.7	Very low	29.8	Very low	78 Å²	78	122.2 Å²	122.2	55%	0.545	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-101.2	130	167.6	-171.6	0	0	0	0	108
276	H	28.3	Very low	30.3	Very low	184 Å²	184	121.5 Å²	121.5	85%	0.852	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-68.3	152.5	166.4	-90.8	6.9	0	0	0	111.1
277	G	31.4	Very low	30.3	Very low	57 Å²	57	116.1 Å²	116.1	59%	0.588	61%	0.609	S	S	*	*	S	Bend	trans	114.9	155	-168.7	0	0	0	0	0	112	K279	G277-K279 PolarHBondContact O-N 2.88Å
278	D	30	Very low	30.3	Very low	177 Å²	177	112.2 Å²	112.2	95%	0.947	61%	0.612	S	S	*	*	S	Bend	trans	-65.5	15.9	-165.5	-57.1	-44.6	0	0	0	116.9
279	K	29.1	Very low	30.2	Very low	161 Å²	161	111.3 Å²	111.3	70%	0.7	61%	0.608	S	S	*	*			trans	-140.3	90.5	177.1	-64.5	178.9	-176.6	173.4	0	109.4	G277 I281	G277-K279 PolarHBondContact O-N 2.88Å; K279-I281 PolarHBondContact O-N 3.5Å
280	M	27.9	Very low	30.1	Very low	132 Å²	132	110.1 Å²	110.1	65%	0.65	61%	0.61	S	S	*	*			trans	-61.6	121.6	167.6	-87.7	-165.1	177.5	0	0	110.4	I274	I274-M280 HydrophobicContact CG2-CE 4.09Å
281	I	31.3	Very low	30.1	Very low	77 Å²	77	111 Å²	111	40%	0.395	61%	0.613	S	S	.	*			trans	-107.9	107.9	177.2	-57.4	176.8	0	0	0	109.4	K279 R283	K279-I281 PolarHBondContact O-N 3.5Å; I281-R283 HydrophobicContact CG2-CG 4.49Å; I281-R283 PolarHBondContact O-N 2.77Å
282	L	28.1	Very low	30	Very low	76 Å²	76	109.6 Å²	109.6	40%	0.398	61%	0.611	S	S	.	*			trans	-74.7	95.9	-179.3	-100.6	159.4	0	0	0	113	V225 L272 V284	V225-L282 HydrophobicContact CB-CD1 4.42Å; V225-L282 HydrophobicContact CG2-CB 4.41Å; V225-L282 HydrophobicContact CG2-CD1 4.34Å; L272-L282 HydrophobicContact CD1-CD2 3.83Å; L272-L282 HydrophobicContact CD2-CD2 4.1Å; L272-L282 HydrophobicContact CG-CD2 4.03Å; L282-V284 PolarHBondContact O-N 2.98Å
283	R	33.6	Very low	29.8	Very low	107 Å²	107	113.6 Å²	113.6	40%	0.404	62%	0.623	S	S	.	*			trans	-50.6	102.5	164.7	56.4	152.2	-173.6	171.5	1.5	114.3	E222 I281	E222-R283 WeakPolarHBondContact OE1-CD 3.39Å; I281-R283 HydrophobicContact CG2-CG 4.49Å; I281-R283 PolarHBondContact O-N 2.77Å
284	V	34.5	Very low	29.5	Very low	82 Å²	82	120.8 Å²	120.8	50%	0.497	64%	0.643	S	S	.	*			trans	-129.3	90.3	166.8	-172.9	0	0	0	0	110.4	L282	L282-V284 PolarHBondContact O-N 2.98Å
285	H	33.6	Very low	29.4	Very low	120 Å²	120	120.2 Å²	120.2	56%	0.556	65%	0.649	S	S	*	*			trans	-72.8	132.1	171.6	-68.9	-82.8	0	0	0	110.5
286	R	35.6	Very low	29.1	Very low	193 Å²	193	124 Å²	124	73%	0.728	66%	0.664	S	S	*	*			trans	-107	104.7	169.3	-154.3	175.5	-166.1	174.9	4.9	108.7	G288	R286-G288 PolarHBondContact O-N 2.9Å
287	G	28.4	Very low	29	Very low	47 Å²	47	125.1 Å²	125.1	49%	0.485	67%	0.666	S	S	.	*			trans	-55.5	127.4	175.2	0	0	0	0	0	110.8
288	G	27.3	Very low	28.8	Very low	70 Å²	70	126.9 Å²	126.9	72%	0.722	67%	0.669	S	S	*	*			trans	-75.7	140.9	174.4	0	0	0	0	0	110.7	R286 A290	R286-G288 PolarHBondContact O-N 2.9Å; G288-A290 PolarHBondContact O-N 3.26Å
289	N	27.4	Very low	28.7	Very low	112 Å²	112	125.8 Å²	125.8	60%	0.599	66%	0.664	S	S	*	*			trans	-63.5	105.6	173.2	-71.6	2.3	0	0	0	109.9	V291 V508	N289-V291 PolarHBondContact O-N 3.35Å; N289-V291 VanDerWaalsContact O-N 3.1Å; N289-V508 HydrophobicContact CB-CG2 4.01Å
290	A	26.7	Very low	28.6	Very low	91 Å²	91	123.4 Å²	123.4	75%	0.752	67%	0.667	S	S	*	*			trans	-67.4	101.3	153.9	0	0	0	0	0	107.2	G288 N292	G288-A290 PolarHBondContact O-N 3.26Å; A290-N292 PolarHBondContact O-N 3.17Å
291	V	28.2	Very low	28.7	Very low	115 Å²	115	123.6 Å²	123.6	70%	0.697	68%	0.676	S	S	*	*			trans	-69	103.2	172	176.4	0	0	0	0	107.1	N289 K293	N289-V291 PolarHBondContact O-N 3.35Å; N289-V291 VanDerWaalsContact O-N 3.1Å; V291-K293 PolarHBondContact O-N 3.05Å
292	N	27.2	Very low	28.3	Very low	133 Å²	133	128.3 Å²	128.3	71%	0.711	69%	0.694	S	S	*	*			trans	-57.3	110.6	171.3	-93.9	-4.5	0	0	0	108.8	A290 Y294	A290-N292 PolarHBondContact O-N 3.17Å; N292-Y294 HydrophobicContact CB-CD2 4.43Å; N292-Y294 PolarHBondContact O-N 2.95Å
293	K	25.3	Very low	28.2	Very low	198 Å²	198	134.7 Å²	134.7	86%	0.861	72%	0.718	S	S	*	*			trans	-83.1	55.4	-179.2	-154.7	-175.3	-174.1	-169.3	0	110.5	V291	V291-K293 PolarHBondContact O-N 3.05Å
294	Y	23.9	Very low	27.8	Very low	209 Å²	209	135 Å²	135	82%	0.82	73%	0.733	S	S	*	*			trans	-113.4	79.1	172.5	-77	-85.2	0	0	0	108.5	N292	N292-Y294 HydrophobicContact CB-CD2 4.43Å; N292-Y294 PolarHBondContact O-N 2.95Å
295	S	27.6	Very low	27.5	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	75%	0.748	S	S	*	*			trans	-88	123.1	160.9	58.2	0	0	0	0	108	K297	S295-K297 PolarHBondContact O-N 3.44Å
296	N	26.1	Very low	27.2	Very low	158 Å²	158	141.1 Å²	141.1	85%	0.845	76%	0.762	S	S	*	*			trans	-49.1	122.6	174.2	-69.6	-14.1	0	0	0	110.6
297	K	26.4	Very low	26.6	Very low	207 Å²	207	139.5 Å²	139.5	90%	0.9	77%	0.767	S	S	*	*			trans	-128.7	69.2	165.5	-129.8	-170.5	-177.7	-162.5	0	108.3	S295	S295-K297 PolarHBondContact O-N 3.44Å
298	S	26.9	Very low	26.6	Very low	94 Å²	94	147.5 Å²	147.5	66%	0.657	79%	0.789	S	S	*	*			trans	-68.5	143	162.2	44.8	0	0	0	0	109.3
299	N	27	Very low	26.5	Very low	154 Å²	154	149.1 Å²	149.1	82%	0.824	79%	0.785	S	S	*	*			trans	67	89.6	170	-52.6	-0.9	0	0	0	116.1
300	S	28.2	Very low	26.5	Very low	111 Å²	111	152.2 Å²	152.2	78%	0.776	80%	0.795	S	S	*	*				169.1	123.5	99.3	60.7	0	0	0	0	113.3
301	T	28.8	Very low	26.7	Very low	136 Å²	136	153.3 Å²	153.3	83%	0.834	79%	0.794	S	S	*	*			trans	45.7	98.7	145.6	-21.7	0	0	0	0	121
302	F	23	Very low	26.5	Very low	177 Å²	177	157.3 Å²	157.3	78%	0.776	80%	0.802	S	S	*	*			trans	15.9	118.4	133.3	-120.4	-99.6	0	0	0	119.7	T304	F302-T304 HydrophobicContact CE1-CG2 4.44Å
303	K	27.5	Very low	26.6	Very low	209 Å²	209	156.3 Å²	156.3	91%	0.909	80%	0.803	S	S	*	*				-161.6	131.4	128.4	-111.1	169.5	-173.4	178.6	0	111.5
304	T	23.7	Very low	26.7	Very low	115 Å²	115	155.8 Å²	155.8	71%	0.706	80%	0.803	S	S	*	*			trans	-106.8	115.2	-172	45.3	0	0	0	0	112	F302	F302-T304 HydrophobicContact CE1-CG2 4.44Å
305	T	28.5	Very low	26.8	Very low	134 Å²	134	157 Å²	157	82%	0.822	81%	0.807	S	S	*	*			trans	-149.5	114.1	162.8	-12.9	0	0	0	0	115.1
306	K	27.5	Very low	26.7	Very low	196 Å²	196	159.4 Å²	159.4	85%	0.852	81%	0.81	S	S	*	*			trans	23.5	119.4	147.1	-64.5	178.6	177.3	177	0	121
307	L	23.1	Very low	26.6	Very low	158 Å²	158	157.6 Å²	157.6	83%	0.827	81%	0.805	S	S	*	*				38.3	123.2	119.8	-119.4	80.2	0	0	0	120
308	K	27.7	Very low	26.7	Very low	215 Å²	215	156.5 Å²	156.5	94%	0.935	80%	0.801	S	S	*	*				-152.6	134.2	128.9	-112.2	169.3	-174.2	-179.9	0	111.4
309	T	25.4	Very low	26.5	Very low	104 Å²	104	158.5 Å²	158.5	64%	0.638	80%	0.804	S	S	*	*			trans	-92.4	155.5	-176	42.5	0	0	0	0	112
310	H	27.4	Very low	26.5	Very low	177 Å²	177	156.8 Å²	156.8	82%	0.819	80%	0.803	S	S	*	*			trans	177.3	164.2	134.7	-96.2	-61.7	0	0	0	111.2
311	P	30.7	Very low	26.4	Very low	114 Å²	114	158.2 Å²	158.2	74%	0.74	80%	0.801	S	S	*	*				-111.8	176.4	-118.7	42.1	-38.9	0	0	0	118.1
312	K	25.3	Very low	26.3	Very low	199 Å²	199	158.6 Å²	158.6	87%	0.865	79%	0.793	S	S	*	*			trans	-86.1	163.8	173.5	-61.4	168.3	-178.8	161.3	0	112.1
313	P	28.6	Very low	26.5	Very low	112 Å²	112	158.8 Å²	158.8	73%	0.727	79%	0.793	S	S	*	*			trans	-116.5	136.4	141.5	-1.5	22.3	0	0	0	114.6
314	H	27.1	Very low	26.4	Very low	187 Å²	187	152 Å²	152	87%	0.866	78%	0.782	S	S	*	*			trans	45	107.7	155.2	-58.2	-76.2	0	0	0	121.5
315	R	26.5	Very low	26.6	Very low	235 Å²	235	154.2 Å²	154.2	89%	0.887	79%	0.789	S	S	*	*			trans	-113.1	111.5	150.2	-166.9	-174.9	-158	-162.7	6.1	107.4	T317	R315-T317 PolarHBondContact O-N 3Å; R315-T317 VanDerWaalsContact O-N 3.1Å
316	L	26.5	Very low	26.6	Very low	155 Å²	155	155.3 Å²	155.3	81%	0.812	79%	0.788	S	S	*	*			trans	-63	109.6	173.9	-83.5	157.1	0	0	0	109.9
317	T	23.6	Very low	26.6	Very low	121 Å²	121	153.9 Å²	153.9	74%	0.742	78%	0.781	S	S	*	*			trans	-84.7	109.9	163.3	39.7	0	0	0	0	108.7	R315 N319	R315-T317 PolarHBondContact O-N 3Å; R315-T317 VanDerWaalsContact O-N 3.1Å; T317-N319 PolarHBondContact O-N 3.11Å
318	F	27.3	Very low	26.8	Very low	183 Å²	183	156.5 Å²	156.5	80%	0.803	78%	0.78	S	S	*	*			trans	-82.2	98.1	158.9	-96.9	-87.5	0	0	0	108.2
319	N	23.8	Very low	26.7	Very low	136 Å²	136	156 Å²	156	73%	0.727	78%	0.778	S	S	*	*			trans	-76.3	123.6	151.5	-87.3	-6.1	0	0	0	107.1	T317	T317-N319 PolarHBondContact O-N 3.11Å
320	C	26.2	Very low	26.8	Very low	118 Å²	118	160 Å²	160	80%	0.797	79%	0.786	S	S	*	*			trans	-119.5	95.7	150.8	-77.5	0	0	0	0	106.6
321	I	26	Very low	26.8	Very low	142 Å²	142	156.8 Å²	156.8	73%	0.728	78%	0.78	S	S	*	*			trans	-67.3	125	156.6	-65.5	162.1	0	0	0	105.4
322	E	27.2	Very low	26.6	Very low	144 Å²	144	157.8 Å²	157.8	67%	0.673	78%	0.779	S	S	*	*				-168.6	121.9	122.6	-102.4	-166.5	135.3	0	0	113.9
323	K	26.7	Very low	26.7	Very low	180 Å²	180	155.1 Å²	155.1	78%	0.783	77%	0.774	S	S	*	*			trans	36.2	124.2	132.4	-57.9	170	-167.6	159.1	0	119.4
324	G	26.6	Very low	26.6	Very low	66 Å²	66	157.1 Å²	157.1	68%	0.68	78%	0.778	S	S	*	*			trans	148.3	100.1	142.1	0	0	0	0	0	115.9
325	I	26.3	Very low	26.5	Very low	163 Å²	163	153.3 Å²	153.3	84%	0.836	77%	0.768	S	S	*	*			trans	64.8	115.4	142.2	-60.1	172.4	0	0	0	115.7
326	I	29.3	Very low	26.6	Very low	156 Å²	156	149 Å²	149	80%	0.8	76%	0.762	S	S	*	*			cis	-150.5	155.5	12.3	-113.4	164.5	0	0	0	111.8
327	K	28.1	Very low	26.6	Very low	166 Å²	166	148.6 Å²	148.6	72%	0.722	76%	0.76	S	S	*	*			trans	-44.4	161.2	166.4	-75.1	165.9	179.4	170.4	0	113.1
328	R	27.5	Very low	26.7	Very low	214 Å²	214	151.6 Å²	151.6	81%	0.808	76%	0.763	S	S	*	*			cis	-163.6	158.1	16.6	-123.5	155.7	-173.1	167.4	-4.3	107.8
329	K	24.4	Very low	26.7	Very low	203 Å²	203	147.5 Å²	147.5	88%	0.883	76%	0.757	S	S	*	*			trans	-134	152.9	160.1	-151.9	179.6	-171.3	-177.9	0	107.4
330	K	28.4	Very low	26.8	Very low	188 Å²	188	146 Å²	146	82%	0.817	76%	0.757	S	S	*	*			trans	86	131.7	-154.7	-62.9	-171	172.1	-171.8	0	111.8
331	T	27.5	Very low	26.8	Very low	111 Å²	111	147.8 Å²	147.8	68%	0.681	76%	0.758	S	S	*	*			cis	-160.5	152.2	-2.5	6.6	0	0	0	0	109.4
332	N	26.5	Very low	26.7	Very low	135 Å²	135	146.8 Å²	146.8	72%	0.722	76%	0.762	S	S	*	*			trans	66.7	157	160	-58.4	6.7	0	0	0	118.4
333	D	27.6	Very low	26.7	Very low	143 Å²	143	148.5 Å²	148.5	77%	0.765	77%	0.772	S	S	*	*			trans	59.4	98	163.5	-46	-35.3	0	0	0	116.1
334	L	25.2	Very low	26.8	Very low	154 Å²	154	146.7 Å²	146.7	81%	0.806	77%	0.771	S	S	*	*				74	127.9	71.9	-161.1	86.8	0	0	0	111.8
335	T	26.2	Very low	26.9	Very low	107 Å²	107	151.8 Å²	151.8	66%	0.656	78%	0.775	S	S	*	*			trans	78	136.6	174.3	76.7	0	0	0	0	118.7
336	N	28.1	Very low	27	Very low	144 Å²	144	151 Å²	151	77%	0.77	77%	0.768	S	S	*	*			trans	64.4	117.6	151	-55.3	-21.8	0	0	0	119.9
337	L	27.1	Very low	27	Very low	146 Å²	146	150.1 Å²	150.1	76%	0.764	76%	0.764	S	S	*	*				91.4	105.8	64.7	-138.1	97.8	0	0	0	112.5
338	K	25.6	Very low	27	Very low	184 Å²	184	151.2 Å²	151.2	80%	0.8	77%	0.769	S	S	*	*			trans	58.8	154.4	153.8	-72.7	-179.6	174.2	-179.9	0	121.1
339	S	26	Very low	26.9	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	76%	0.76	S	S	*	*			trans	61.4	109.4	156.1	34.7	0	0	0	0	117.6
340	S	26	Very low	27.1	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	75%	0.752	S	S	*	*				81.8	154.6	90.6	86.3	0	0	0	0	112.3
341	L	25.9	Very low	27.1	Very low	155 Å²	155	139.9 Å²	139.9	81%	0.812	75%	0.752	S	S	*	*			cis	-159.8	174	4.3	-131.2	158.1	0	0	0	106.5
342	C	24.6	Very low	27.2	Very low	121 Å²	121	138.8 Å²	138.8	82%	0.818	75%	0.748	S	S	*	*			trans	-67.1	144.3	162.6	-87.1	0	0	0	0	110.3
343	M	26.4	Very low	27.2	Very low	180 Å²	180	139.3 Å²	139.3	89%	0.887	75%	0.751	S	S	*	*			trans	-74	133.1	171.2	-67.9	-161.8	170.9	0	0	111.2
344	N	29.8	Very low	27.3	Very low	142 Å²	142	137.6 Å²	137.6	76%	0.759	75%	0.746	S	S	*	*				-168	134.7	111.7	-114.3	-39.1	0	0	0	113.8
345	K	27.8	Very low	27.4	Very low	173 Å²	173	136.9 Å²	136.9	75%	0.752	74%	0.743	S	S	*	*			trans	43.4	124.2	146.9	-79.4	-175.9	172.4	-173.2	0	122.6
346	H	29.7	Very low	27.6	Very low	148 Å²	148	138.2 Å²	138.2	69%	0.685	75%	0.751	S	S	*	*			trans	67.2	109.6	143.7	-69.8	-69.8	0	0	0	120.7
347	N	28.8	Very low	27.5	Very low	136 Å²	136	142.5 Å²	142.5	73%	0.727	76%	0.757	S	S	*	*				55.2	116.4	120.3	-64.3	4.2	0	0	0	120.4
348	F	27.3	Very low	27.4	Very low	189 Å²	189	139.9 Å²	139.9	83%	0.829	75%	0.75	S	S	*	*			trans	64.9	106.3	132.4	-102.2	-108.4	0	0	0	119.4
349	S	26.3	Very low	27.5	Very low	89 Å²	89	138.3 Å²	138.3	62%	0.622	75%	0.75	S	S	*	*				74.3	139.2	124.2	64.1	0	0	0	0	121.6
350	T	27.8	Very low	27.6	Very low	116 Å²	116	142.1 Å²	142.1	71%	0.712	76%	0.761	S	S	*	*			trans	74.8	112.5	144.7	42.7	0	0	0	0	120.7
351	M	28.4	Very low	27.7	Very low	163 Å²	163	142.7 Å²	142.7	80%	0.803	76%	0.761	S	S	*	*				89	117.4	128.8	-69.1	-178.2	73.3	0	0	121.1
352	S	29.3	Very low	27.7	Very low	88 Å²	88	140.7 Å²	140.7	62%	0.615	76%	0.76	S	S	*	*				75.2	128.1	129.5	66.6	0	0	0	0	120.7
353	N	28.1	Very low	27.8	Very low	146 Å²	146	144.9 Å²	144.9	78%	0.781	76%	0.764	S	S	*	*			trans	61.7	137.5	137.2	-62.1	-8.2	0	0	0	117.9
354	T	28.8	Very low	27.7	Very low	106 Å²	106	140.9 Å²	140.9	65%	0.65	75%	0.754	S	S	*	*			cis	-166.9	164.9	9.2	4.3	0	0	0	0	109
355	N	27.6	Very low	27.5	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	76%	0.759	S	S	*	*			trans	43.7	117.6	148.7	-53.7	-23.2	0	0	0	118.4
356	T	29.6	Very low	27.4	Very low	134 Å²	134	137.8 Å²	137.8	82%	0.822	76%	0.758	S	S	*	*				-174.8	129.8	64.4	40.7	0	0	0	0	114.3
357	R	27.5	Very low	27.5	Very low	235 Å²	235	138.9 Å²	138.9	89%	0.887	77%	0.768	S	S	*	*			trans	46.3	91.9	130.4	-143.6	170.1	-162.7	171.5	3.7	121.7
358	S	24.8	Very low	27.4	Very low	90 Å²	90	135.2 Å²	135.2	63%	0.629	76%	0.763	S	S	*	*			trans	20.1	122.7	133.5	62	0	0	0	0	121.5
359	N	26.9	Very low	27.4	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	77%	0.766	S	S	*	*				-177.8	116.6	114.3	-93.9	-22.6	0	0	0	112.5
360	I	29.1	Very low	27.6	Very low	178 Å²	178	134.3 Å²	134.3	91%	0.913	77%	0.766	S	S	*	*			trans	-107.1	106.4	167.7	-64.3	176.3	0	0	0	108.2	S362	I360-S362 PolarHBondContact O-N 2.68Å
361	T	27.3	Very low	27.7	Very low	116 Å²	116	135.7 Å²	135.7	71%	0.712	77%	0.768	S	S	*	*			trans	-86.9	108.8	-179.9	52.6	0	0	0	0	112.1	K363	T361-K363 PolarHBondContact O-N 3.28Å
362	S	25	Very low	27.9	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	77%	0.77	S	S	*	*			trans	-72.9	111.5	163.4	55.9	0	0	0	0	110.6	I360 S364	I360-S362 PolarHBondContact O-N 2.68Å; S362-S364 PolarHBondContact O-N 3.17Å
363	K	28	Very low	28	Very low	210 Å²	210	136.1 Å²	136.1	91%	0.913	77%	0.773	S	S	*	*			trans	-77.8	113.7	173.4	-80.7	-174.8	175.5	177.9	0	111	T361	T361-K363 PolarHBondContact O-N 3.28Å
364	S	23.8	Very low	28.2	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	76%	0.761	S	S	*	*			trans	-98.6	146.1	174.8	-177.5	0	0	0	0	110.5	S362	S362-S364 PolarHBondContact O-N 3.17Å
365	C	25.8	Very low	28.2	Very low	129 Å²	129	134.8 Å²	134.8	87%	0.872	77%	0.766	S	S	*	*			trans	-112.2	91.6	167.6	-87	0	0	0	0	110.3
366	V	26.7	Very low	28.5	Very low	120 Å²	120	135.8 Å²	135.8	73%	0.727	77%	0.772	S	S	*	*			trans	-95.5	107.9	170.1	174.8	0	0	0	0	109.2
367	L	30	Very low	28.7	Very low	171 Å²	171	138.2 Å²	138.2	90%	0.895	77%	0.771	S	S	*	*			trans	-145.1	127.9	161.5	-86.2	108.6	0	0	0	108.7
368	G	26.5	Very low	28.8	Very low	60 Å²	60	136.6 Å²	136.6	62%	0.619	77%	0.771	S	S	*	*	S	Bend	cis	-154.1	145.2	-9.4	0	0	0	0	0	110.7
369	N	29.2	Very low	29	Very low	169 Å²	169	139.8 Å²	139.8	90%	0.904	78%	0.781	S	S	*	*	S	Bend	trans	-158.2	22.1	174.7	-102.9	-28.4	0	0	0	112.4
370	S	30.1	Very low	29.1	Very low	89 Å²	89	139.1 Å²	139.1	62%	0.622	78%	0.777	S	S	*	*			trans	-113.9	2.7	-168.7	-122.7	0	0	0	0	116.1
371	I	29.8	Very low	29.1	Very low	145 Å²	145	141.2 Å²	141.2	74%	0.744	77%	0.774	S	S	*	*	S	Bend	trans	-87.9	-15.3	-172.7	-69.2	174.8	0	0	0	113.3
372	I	32	Very low	29.4	Very low	166 Å²	166	144 Å²	144	85%	0.851	78%	0.779	S	S	*	*	S	Bend	trans	-102.4	-4.1	-174.7	-64.4	177.4	0	0	0	113.9
373	S	31.4	Very low	29.6	Very low	95 Å²	95	145.1 Å²	145.1	66%	0.664	78%	0.775	S	S	*	*	S	Bend	trans	-114	0.2	177.5	74.5	0	0	0	0	116.4
374	S	31.7	Very low	29.6	Very low	77 Å²	77	144.4 Å²	144.4	54%	0.538	77%	0.772	S	S	.	*	S	Bend	trans	-99.1	-15.4	176.9	-59.3	0	0	0	0	113.6	N376	S374-N376 VanDerWaalsContact C-N 3.33Å; S374-N376 PolarHBondContact O-N 2.75Å
375	L	30.8	Very low	29.9	Very low	146 Å²	146	144.2 Å²	144.2	76%	0.764	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-3.4	-178.1	-80	164.7	0	0	0	115.2
376	N	32.2	Very low	30.2	Very low	162 Å²	162	144.4 Å²	144.4	87%	0.866	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	29.7	177.3	-83.9	4.1	0	0	0	112.9	S374	S374-N376 VanDerWaalsContact C-N 3.33Å; S374-N376 PolarHBondContact O-N 2.75Å
377	K	33.5	Very low	30.3	Very low	184 Å²	184	147.3 Å²	147.3	80%	0.8	77%	0.766	S	S	*	*	S	Bend	trans	-144	6.4	-174.4	-118.9	-168.6	178.9	-156.2	0	118
378	F	30	Very low	30.2	Very low	202 Å²	202	146.1 Å²	146.1	89%	0.886	76%	0.76	S	S	*	*			trans	-123.3	7.6	-179.9	-112.3	-81.1	0	0	0	115	N380	F378-N380 PolarHBondContact O-N 3.18Å
379	D	29.5	Very low	30.3	Very low	156 Å²	156	150 Å²	150	83%	0.834	76%	0.762	S	S	*	*			trans	-92.4	76.9	173.1	-159.8	6.5	0	0	0	109.6
380	N	28.1	Very low	30.5	Very low	137 Å²	137	151.9 Å²	151.9	73%	0.733	76%	0.757	S	S	*	*	S	Bend	trans	172.9	126.1	154.4	-104.1	-75.7	0	0	0	112.5	F378	F378-N380 PolarHBondContact O-N 3.18Å
381	R	30.3	Very low	30.3	Very low	222 Å²	222	154 Å²	154	84%	0.838	76%	0.761	S	S	*	*			trans	91.1	118.1	159.3	-57.4	173.2	-164.8	-150	1.2	119.7
382	Q	32.4	Very low	30.4	Very low	175 Å²	175	155.5 Å²	155.5	82%	0.818	77%	0.765	S	S	*	*			trans	70.7	142.1	148.6	-67.6	174.1	-34.7	0	0	118.5
383	L	29.2	Very low	30.4	Very low	136 Å²	136	154.2 Å²	154.2	71%	0.712	77%	0.765	S	S	*	*			cis	160.7	119.3	-23.2	-118.1	149.3	0	0	0	104.8
384	K	28.6	Very low	30.2	Very low	195 Å²	195	155.1 Å²	155.1	85%	0.848	77%	0.771	S	S	*	*			trans	54.5	135	163.9	-66.4	172.3	175.6	-176	0	116.8
385	S	30.1	Very low	30	Very low	92 Å²	92	156.9 Å²	156.9	64%	0.643	78%	0.784	S	S	*	*				179.6	163.2	53.4	-159.3	0	0	0	0	109.4
386	D	31.2	Very low	29.9	Very low	134 Å²	134	158.2 Å²	158.2	72%	0.717	79%	0.79	S	S	*	*			trans	59.1	115.2	161.8	-51.6	-54.4	0	0	0	119.1
387	K	30.1	Very low	29.7	Very low	180 Å²	180	159.4 Å²	159.4	78%	0.783	79%	0.793	S	S	*	*				86	112.7	53	-82.3	-168.6	171.6	179.9	0	115.3
388	N	28.2	Very low	29.5	Very low	147 Å²	147	159.7 Å²	159.7	79%	0.786	80%	0.797	S	S	*	*			trans	68.1	121	146.5	-53.7	1.8	0	0	0	118.9
389	H	29.1	Very low	29.5	Very low	142 Å²	142	157.3 Å²	157.3	66%	0.657	79%	0.792	S	S	*	*				163.3	141.8	101.4	-158.6	-16	0	0	0	111.2
390	W	31.6	Very low	29.6	Very low	207 Å²	207	155.3 Å²	155.3	78%	0.784	79%	0.787	S	S	*	*			trans	111.3	107.5	158	-63.1	105	0	0	0	118.1
391	D	27.2	Very low	29.8	Very low	135 Å²	135	156.6 Å²	156.6	72%	0.722	79%	0.793	S	S	*	*			trans	-89.7	-174.6	174.7	-71.4	-70.2	0	0	0	113.4
392	H	31.5	Very low	29.8	Very low	176 Å²	176	154.5 Å²	154.5	82%	0.815	79%	0.792	S	S	*	*			trans	77.6	115.3	174.9	-50.9	-77.1	0	0	0	114.6
393	T	32	Very low	29.8	Very low	138 Å²	138	150 Å²	150	85%	0.847	78%	0.78	S	S	*	*			cis	-152.6	142.8	47.8	40.5	0	0	0	0	113.9
394	S	27.5	Very low	29.9	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	78%	0.784	S	S	*	*			trans	-70.1	159.8	179	-44.3	0	0	0	0	114.4
395	S	27	Very low	30	Very low	114 Å²	114	150.2 Å²	150.2	80%	0.797	78%	0.784	S	S	*	*				160.3	63.4	129.7	-70	0	0	0	0	113.9
396	L	27.9	Very low	30	Very low	173 Å²	173	153 Å²	153	91%	0.906	79%	0.79	S	S	*	*	S	Bend	trans	-144	141	157.7	-85.8	-177.8	0	0	0	110.3	Q398	L396-Q398 PolarHBondContact O-N 3.44Å
397	M	28.4	Very low	29.9	Very low	187 Å²	187	152.1 Å²	152.1	92%	0.921	79%	0.79	S	S	*	*			trans	-37.5	123.3	-171.7	-72.8	168.2	160.9	0	0	115.6
398	Q	28.6	Very low	29.8	Very low	190 Å²	190	150.7 Å²	150.7	89%	0.888	79%	0.791	S	S	*	*			trans	-92.1	126	157.7	-73.1	175.4	-51.1	0	0	109.3	L396	L396-Q398 PolarHBondContact O-N 3.44Å
399	I	30.7	Very low	29.8	Very low	153 Å²	153	149 Å²	149	79%	0.785	79%	0.79	S	S	*	*			trans	-109.3	111.7	158.1	-62.5	173.7	0	0	0	105.8
400	P	31.4	Very low	29.8	Very low	113 Å²	113	152.9 Å²	152.9	73%	0.734	81%	0.806	S	S	*	*			trans	-79.7	126	176.6	30.6	-31	0	0	0	110.3	H402	P400-H402 PolarHBondContact O-N 3.04Å
401	I	32.3	Very low	29.8	Very low	165 Å²	165	151.2 Å²	151.2	85%	0.846	81%	0.806	S	S	*	*			trans	-76.1	117.9	160.3	-62.3	168.5	0	0	0	106.2
402	H	31.1	Very low	29.9	Very low	177 Å²	177	151.6 Å²	151.6	82%	0.819	81%	0.809	S	S	*	*			trans	-121.4	128.5	161.9	-140.8	-74.1	0	0	0	110.1	P400	P400-H402 PolarHBondContact O-N 3.04Å
403	S	31.7	Very low	29.8	Very low	81 Å²	81	152.8 Å²	152.8	57%	0.566	81%	0.811	S	S	*	*			trans	-96.4	169.4	178.2	50.5	0	0	0	0	111.3
404	Q	32	Very low	29.7	Very low	169 Å²	169	154.7 Å²	154.7	79%	0.79	82%	0.815	S	S	*	*			trans	87.6	146.9	165.3	-54.3	178.8	-55.9	0	0	117.9
405	I	30	Very low	29.8	Very low	166 Å²	166	155 Å²	155	85%	0.851	81%	0.813	S	S	*	*			trans	72.4	117.5	175.5	-40.4	162.6	0	0	0	110.5
406	I	29.9	Very low	30.2	Very low	150 Å²	150	156.5 Å²	156.5	77%	0.769	81%	0.812	S	S	*	*			cis	-140.3	131.6	40	-67.3	169.2	0	0	0	111.1
407	T	29.1	Very low	30.4	Very low	116 Å²	116	156 Å²	156	71%	0.712	81%	0.81	S	S	*	*			trans	-85.5	158.9	154.6	39.4	0	0	0	0	110.2
408	D	27.8	Very low	30.4	Very low	150 Å²	150	152.2 Å²	152.2	80%	0.802	80%	0.799	S	S	*	*			trans	82.1	89.8	171.5	-45.5	-33.5	0	0	0	117.4
409	S	30	Very low	30.5	Very low	112 Å²	112	150.6 Å²	150.6	78%	0.783	80%	0.796	S	S	*	*			trans	-167.5	27.5	148.8	-145.5	0	0	0	0	116.5
410	F	28.8	Very low	30.4	Very low	223 Å²	223	151.5 Å²	151.5	98%	0.978	80%	0.802	S	S	*	*			trans	-135.4	53.2	174.2	-95.6	-80.4	0	0	0	113.2
411	H	30.6	Very low	30.2	Very low	172 Å²	172	152.3 Å²	152.3	80%	0.796	80%	0.799	S	S	*	*			trans	-111	141.6	157.5	-134.3	-73.3	0	0	0	107.9
412	N	29.1	Very low	30	Very low	144 Å²	144	151.3 Å²	151.3	77%	0.77	79%	0.791	S	S	*	*	S	Bend	trans	79.5	69.1	173.3	-47.7	-17.8	0	0	0	118
413	K	30.3	Very low	29.9	Very low	201 Å²	201	148.1 Å²	148.1	87%	0.874	78%	0.784	S	S	*	*			trans	-155.4	50.4	147.4	-138.7	172.6	-172.9	177.4	0	115.7
414	L	28.9	Very low	29.6	Very low	177 Å²	177	151.4 Å²	151.4	93%	0.927	80%	0.796	S	S	*	*			trans	-151.9	76	168.9	-108.2	138.9	0	0	0	111.1
415	T	31	Very low	29.4	Very low	123 Å²	123	152.9 Å²	152.9	76%	0.755	80%	0.8	S	S	*	*			trans	-133	144.6	167.5	47.5	0	0	0	0	108
416	N	34.4	Very low	29.1	Very low	145 Å²	145	154 Å²	154	78%	0.775	80%	0.799	S	S	*	*			trans	83.6	80.5	176.2	-46.3	-15.8	0	0	0	116.5
417	N	31.5	Very low	28.9	Very low	162 Å²	162	157.6 Å²	157.6	87%	0.866	80%	0.802	S	S	*	*				-173.5	129.9	103.7	-93.8	-21.8	0	0	0	111.8
418	P	29.1	Very low	28.7	Very low	108 Å²	108	157 Å²	157	70%	0.701	80%	0.803	S	S	*	*			trans	-99.9	179.5	176.9	39.9	-34.9	0	0	0	113.1
419	L	30.3	Very low	28.7	Very low	156 Å²	156	159.6 Å²	159.6	82%	0.817	80%	0.803	S	S	*	*			trans	77.1	99.8	166	-58.6	157.9	0	0	0	117.6
420	L	30.1	Very low	28.4	Very low	172 Å²	172	160.2 Å²	160.2	90%	0.901	81%	0.807	S	S	*	*				-172.2	145.8	93.9	-105.2	147.5	0	0	0	113.7
421	D	26.8	Very low	28.3	Very low	129 Å²	129	159.3 Å²	159.3	69%	0.69	80%	0.803	S	S	*	*			trans	-68.8	168.9	175.1	-126.8	-4.6	0	0	0	111.2
422	Q	28.7	Very low	28.2	Very low	144 Å²	144	156.3 Å²	156.3	67%	0.673	80%	0.802	S	S	*	*			cis	-165.2	166.5	16.5	-148.1	166.3	66	0	0	111.3
423	T	27.5	Very low	28	Very low	110 Å²	110	156.4 Å²	156.4	68%	0.675	80%	0.801	S	S	*	*			trans	70.7	122	158.4	58.5	0	0	0	0	123.4
424	D	25.8	Very low	27.8	Very low	150 Å²	150	154.5 Å²	154.5	80%	0.802	80%	0.8	S	S	*	*			trans	55.3	122.2	141.4	-60.2	-32.1	0	0	0	121.6
425	F	27.4	Very low	27.7	Very low	201 Å²	201	151.5 Å²	151.5	88%	0.882	79%	0.793	S	S	*	*				-163.3	154	52.5	-158.2	-101.5	0	0	0	113.2
426	K	23.3	Very low	27.5	Very low	190 Å²	190	152.2 Å²	152.2	83%	0.826	80%	0.802	S	S	*	*			trans	-81.2	139.6	-173.4	-68.9	166.2	176.2	164.6	0	115
427	R	27.4	Very low	27.1	Very low	224 Å²	224	153.2 Å²	153.2	85%	0.845	81%	0.806	S	S	*	*				-164.1	124.6	120.6	-134.4	171.1	-177.9	152.1	2.3	114.9
428	S	24	Very low	27	Very low	105 Å²	105	150.8 Å²	150.8	73%	0.734	80%	0.802	S	S	*	*			trans	-100.6	158.6	175.6	-43.7	0	0	0	0	112.4
429	Y	27.4	Very low	27	Very low	204 Å²	204	154.3 Å²	154.3	80%	0.8	81%	0.809	S	S	*	*			trans	-143.2	118	150.9	-88.1	-74.9	0	0	0	111.1
430	S	25.1	Very low	27.1	Very low	124 Å²	124	151.6 Å²	151.6	87%	0.867	80%	0.8	S	S	*	*			trans	-158.1	158.2	163.6	-87.8	0	0	0	0	110.8
431	F	26.2	Very low	26.9	Very low	204 Å²	204	151.8 Å²	151.8	90%	0.895	80%	0.797	S	S	*	*			trans	-82.3	146.3	-168.1	-90.6	-110.6	0	0	0	114.8
432	S	27.3	Very low	27.1	Very low	110 Å²	110	152.9 Å²	152.9	77%	0.769	80%	0.803	S	S	*	*			trans	174.6	131.2	142.1	-77.2	0	0	0	0	107.4
433	I	25.9	Very low	27	Very low	146 Å²	146	150.4 Å²	150.4	75%	0.749	80%	0.801	S	S	*	*				71.2	115.1	55.8	-62.6	-174	0	0	0	114.3
434	L	25.4	Very low	26.9	Very low	161 Å²	161	152.8 Å²	152.8	84%	0.843	80%	0.804	S	S	*	*			trans	60.3	111.7	161.6	-79.3	161.1	0	0	0	120.6
435	S	26.5	Very low	26.9	Very low	114 Å²	114	155.8 Å²	155.8	80%	0.797	80%	0.804	S	S	*	*				154.7	135.3	115.4	57	0	0	0	0	111.6
436	C	27.6	Very low	27	Very low	137 Å²	137	154.6 Å²	154.6	93%	0.926	80%	0.799	S	S	*	*			trans	-173.4	100.6	153.7	-108.1	0	0	0	0	108.4
437	L	24.9	Very low	27.2	Very low	166 Å²	166	153.8 Å²	153.8	87%	0.869	80%	0.796	S	S	*	*			trans	-101.7	153.4	169.7	-86.4	163	0	0	0	108.9
438	S	30	Very low	27.2	Very low	112 Å²	112	150.9 Å²	150.9	78%	0.783	79%	0.789	S	S	*	*			trans	67.4	153	174.7	82	0	0	0	0	115.1
439	H	29.9	Very low	27.5	Very low	181 Å²	181	151.1 Å²	151.1	84%	0.838	79%	0.791	S	S	*	*			cis	-130.2	170.2	15.2	-135.5	-108.5	0	0	0	111.1
440	P	32.2	Very low	27.5	Very low	99 Å²	99	148.5 Å²	148.5	64%	0.643	79%	0.786	S	S	*	*			trans	-109.3	-174.9	-169.6	38.6	-26	0	0	0	114.5
441	Q	25.7	Very low	27.4	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.822	78%	0.776	S	S	*	*			trans	112.4	151.2	163.2	-63.4	-171	-27.2	0	0	116.8
442	D	30.6	Very low	27.6	Very low	153 Å²	153	146.1 Å²	146.1	82%	0.818	77%	0.773	S	S	*	*			trans	65.5	142.5	179.4	-60.7	-26.6	0	0	0	122
443	S	26.3	Very low	27.5	Very low	91 Å²	91	149.7 Å²	149.7	64%	0.636	78%	0.775	S	S	*	*			cis	-163.6	157.9	-35.6	60.7	0	0	0	0	109.4
444	Q	26.2	Very low	27.5	Very low	160 Å²	160	147.6 Å²	147.6	75%	0.748	77%	0.774	S	S	*	*			trans	49.1	85.9	152	-59.6	-85.6	-8.6	0	0	116.7
445	R	25	Very low	27.4	Very low	213 Å²	213	148.4 Å²	148.4	80%	0.804	77%	0.773	S	S	*	*				162.2	160.5	95.8	-83.5	154.5	-174.5	-171.5	1.1	107.9
446	F	29.4	Very low	27.4	Very low	177 Å²	177	151.3 Å²	151.3	78%	0.776	78%	0.778	S	S	*	*			cis	-134.7	163.6	-2	-130.1	-71.9	0	0	0	110.7
447	K	28.4	Very low	27.2	Very low	172 Å²	172	152.5 Å²	152.5	75%	0.748	77%	0.774	S	S	*	*			trans	-71.5	172	175.6	-65.3	164.3	175.3	173.5	0	113
448	K	27.6	Very low	27.5	Very low	164 Å²	164	149.4 Å²	149.4	71%	0.713	76%	0.764	S	S	*	*			cis	-168.3	156.9	-17.2	-106.1	-177.9	171.3	-167.3	0	104.3
449	S	29	Very low	27.2	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	77%	0.766	S	S	*	*				-160	145	51.6	45.8	0	0	0	0	109.1
450	Q	28.2	Very low	27	Very low	150 Å²	150	153.2 Å²	153.2	70%	0.701	77%	0.767	S	S	*	*			cis	62.7	138.6	49.4	-79	-164.8	-47	0	0	115.2
451	C	23.6	Very low	26.5	Very low	97 Å²	97	154.1 Å²	154.1	66%	0.655	78%	0.776	S	S	*	*			cis	-170	148.3	-18.8	-161.2	0	0	0	0	107.9
452	Q	29.1	Very low	26.5	Very low	180 Å²	180	151.6 Å²	151.6	84%	0.841	78%	0.778	S	S	*	*				144.3	173.3	112.3	-89.7	170.1	-51.4	0	0	108.8
453	K	26.1	Very low	26.1	Very low	186 Å²	186	150.1 Å²	150.1	81%	0.809	77%	0.774	S	S	*	*				-171.8	161.8	-66.2	-149.6	-177.2	-176.2	-174.3	0	107.5
454	S	24.9	Very low	26.1	Very low	102 Å²	102	156.2 Å²	156.2	71%	0.713	79%	0.785	S	S	*	*			trans	63.5	153.4	166.7	56	0	0	0	0	118.1
455	Q	24.9	Very low	26.1	Very low	178 Å²	178	154.6 Å²	154.6	83%	0.832	79%	0.786	S	S	*	*			cis	-166.7	166.7	-12.2	-110.8	169.7	-19.8	0	0	107.5
456	I	26.4	Very low	26.2	Very low	175 Å²	175	154.6 Å²	154.6	90%	0.897	79%	0.792	S	S	*	*			trans	160.5	156.9	140.2	-82.5	159.3	0	0	0	112.1
457	L	23.5	Very low	26	Very low	161 Å²	161	153.3 Å²	153.3	84%	0.843	79%	0.793	S	S	*	*			trans	-108.4	-167.2	-164.1	-110.6	165.3	0	0	0	111.1
458	P	30.8	Very low	25.9	Very low	101 Å²	101	149.9 Å²	149.9	66%	0.656	79%	0.789	S	S	*	*				-117	-169.3	-127.7	46.2	-36.6	0	0	0	117.3
459	F	22.8	Very low	25.8	Very low	191 Å²	191	150 Å²	150	84%	0.838	79%	0.792	S	S	*	*			trans	112.4	149.8	142.8	-120.6	-76.2	0	0	0	120.1
460	Q	26.2	Very low	25.7	Very low	182 Å²	182	155.7 Å²	155.7	85%	0.85	80%	0.797	S	S	*	*			trans	89.2	141.8	163.2	-65.9	-162.1	-2.5	0	0	120.3
461	S	21.8	Very low	25.6	Very low	118 Å²	118	156.6 Å²	156.6	83%	0.825	81%	0.805	S	S	*	*			trans	-122.4	144.4	-161.6	55.3	0	0	0	0	111.7
462	S	24.8	Very low	25.6	Very low	124 Å²	124	159.6 Å²	159.6	87%	0.867	81%	0.81	S	S	*	*			trans	-147.8	155.2	154	60.9	0	0	0	0	112.7
463	T	22.8	Very low	25.5	Very low	122 Å²	122	160.6 Å²	160.6	75%	0.748	81%	0.812	S	S	*	*			trans	-76.7	146	-169.9	45.2	0	0	0	0	114.5
464	Y	25.9	Very low	25.6	Very low	219 Å²	219	160.1 Å²	160.1	86%	0.859	81%	0.81	S	S	*	*			trans	-157.4	127.9	136.8	-106.3	-72.7	0	0	0	114.5
465	T	27.6	Very low	25.6	Very low	126 Å²	126	164.4 Å²	164.4	77%	0.773	82%	0.818	S	S	*	*			trans	8.7	134.3	161.3	55.4	0	0	0	0	123.2
466	K	26.1	Very low	25.7	Very low	213 Å²	213	162.3 Å²	162.3	93%	0.926	80%	0.803	S	S	*	*			trans	-74	140.5	171.1	-69.1	173.6	173.8	174.7	0	113.7
467	N	25.5	Very low	25.7	Very low	149 Å²	149	159.5 Å²	159.5	80%	0.797	79%	0.79	S	S	*	*			trans	-148.4	113.1	160.1	-156.7	-10.5	0	0	0	111.7	Q469	N467-Q469 PolarHBondContact O-N 3.18Å
468	P	26.3	Very low	26	Very low	101 Å²	101	155.8 Å²	155.8	66%	0.656	78%	0.777	S	S	*	*			trans	-95.9	65.5	-166	37.8	-36	0	0	0	114.1	T230	T230-P468 HydrophobicContact CG2-CG 4.3Å
469	Q	26.2	Very low	25.9	Very low	166 Å²	166	155.1 Å²	155.1	78%	0.776	78%	0.775	S	S	*	*			trans	-140.4	80.7	170.1	-69.2	-163.7	11.9	0	0	113.7	N467	N467-Q469 PolarHBondContact O-N 3.18Å
470	R	25.9	Very low	26.4	Very low	229 Å²	229	149.1 Å²	149.1	86%	0.864	75%	0.754	S	S	*	*			trans	-141.2	105.5	157.7	-106.3	-178.7	-177.9	-168.2	-0.1	111.9	Q472	R470-Q472 PolarHBondContact O-N 3.36Å
471	L	25.6	Very low	26.5	Very low	169 Å²	169	147.5 Å²	147.5	89%	0.885	74%	0.74	S	S	*	*			trans	-66.1	87.6	154.9	-84.4	157.4	0	0	0	107.8	F473	L471-F473 PolarHBondContact O-N 2.71Å; L471-F473 VanDerWaalsContact O-N 3.08Å
472	Q	24.9	Very low	26.8	Very low	160 Å²	160	149.8 Å²	149.8	75%	0.748	73%	0.73	S	S	*	*			trans	-67	107.8	167.8	-82.9	-167	-19	0	0	109	R470 K474	R470-Q472 PolarHBondContact O-N 3.36Å; Q472-K474 PolarHBondContact O-N 3.16Å
473	F	26.9	Very low	27.1	Very low	201 Å²	201	150.7 Å²	150.7	88%	0.882	72%	0.716	S	S	*	*			trans	-61.7	103.1	157.5	-83.3	-97.9	0	0	0	107.4	L471 Q475	L471-F473 PolarHBondContact O-N 2.71Å; L471-F473 VanDerWaalsContact O-N 3.08Å; F473-Q475 PolarHBondContact O-N 3.26Å
474	K	27	Very low	27.6	Very low	176 Å²	176	149 Å²	149	77%	0.765	70%	0.699	S	S	*	*			trans	-57.1	123.9	165.4	-86.1	-167.3	171.4	-171.1	0	108	Q472 W476	Q472-K474 PolarHBondContact O-N 3.16Å; K474-W476 VanDerWaalsContact O-CD1 3.26Å; K474-W476 PolarHBondContact O-N 3.19Å
475	Q	25.6	Very low	27.9	Very low	192 Å²	192	143.7 Å²	143.7	90%	0.897	68%	0.682	S	S	*	*			trans	-68.9	108.4	176.6	-161.5	168.1	2.1	0	0	107.6	F473	F473-Q475 PolarHBondContact O-N 3.26Å
476	W	26.9	Very low	28	Very low	133 Å²	133	143.1 Å²	143.1	50%	0.504	68%	0.675	S	S	.	*			trans	-82.1	123.9	-179.6	-82.6	71.7	0	0	0	110	K474 E484	K474-W476 VanDerWaalsContact O-CD1 3.26Å; K474-W476 PolarHBondContact O-N 3.19Å; W476-E484 HydrophobicContact CH2-CG 4.24Å; W476-E484 WeakPolarHBondContact CH2-OE1 3.18Å; W476-E484 HydrophobicContact CZ3-CG 3.92Å
477	N	27.2	Very low	28.5	Very low	117 Å²	117	138.9 Å²	138.9	63%	0.626	66%	0.658	S	S	*	*			trans	-65.5	146.7	172.5	-88.1	-13.8	0	0	0	111.5	S479 T480 W481	N477-S479 PolarHBondContact O-N 3Å; N477-S479 VanDerWaalsContact O-N 3.17Å; N477-T480 PolarHBondContact N-OG1 3.46Å; N477-T480 PolarHBondContact O-N 3.13Å; N477-T480 PolarHBondContact O-OG1 3.46Å; N477-W481 PolarHBondContact O-N 3.12Å; N477-W481 VanDerWaalsContact O-N 3.13Å
478	S	29.3	Very low	28.7	Very low	83 Å²	83	136 Å²	136	58%	0.58	64%	0.639	S	S	*	*	H	α-helix	trans	-53	-37.7	-178.1	-177.4	0	0	0	0	113.1	W481 R482	S478-W481 PolarHBondContact O-N 3.27Å; S478-R482 WeakPolarHBondContact O-CB 3.33Å; S478-R482 PolarHBondContact O-N 2.95Å
479	S	28.5	Very low	28.9	Very low	86 Å²	86	136.2 Å²	136.2	60%	0.601	64%	0.638	S	S	*	*	H	α-helix	trans	-63.5	-46.8	175.8	52.1	0	0	0	0	113	N477 W481 R482 Y483	N477-S479 PolarHBondContact O-N 3Å; N477-S479 VanDerWaalsContact O-N 3.17Å; S479-W481 VanDerWaalsContact C-N 3.32Å; S479-W481 PolarHBondContact O-N 3.39Å; S479-R482 PolarHBondContact O-N 3.36Å; S479-Y483 PolarHBondContact O-N 2.94Å
480	T	32.7	Very low	29.2	Very low	65 Å²	65	134 Å²	134	40%	0.399	63%	0.632	S	S	.	*	H	α-helix	trans	-64.5	-34.7	176.5	39.1	0	0	0	0	112.9	N477 E484	N477-T480 PolarHBondContact N-OG1 3.46Å; N477-T480 PolarHBondContact O-N 3.13Å; N477-T480 PolarHBondContact O-OG1 3.46Å; T480-E484 PolarHBondContact O-N 3.21Å; T480-E484 VanDerWaalsContact O-N 3.08Å
481	W	29.6	Very low	29.3	Very low	148 Å²	148	128 Å²	128	56%	0.561	61%	0.61	S	S	*	*	H	α-helix	trans	-67.6	-42.1	174.8	-125.6	86.1	0	0	0	112.2	N477 S478 S479 E484 Q485	N477-W481 PolarHBondContact O-N 3.12Å; N477-W481 VanDerWaalsContact O-N 3.13Å; S478-W481 PolarHBondContact O-N 3.27Å; S479-W481 VanDerWaalsContact C-N 3.32Å; S479-W481 PolarHBondContact O-N 3.39Å; W481-E484 PolarHBondContact O-N 3.33Å; W481-Q485 HydrophobicContact CE3-CG 3.81Å; W481-Q485 HydrophobicContact CZ3-CG 3.88Å; W481-Q485 PolarHBondContact O-N 3.47Å
482	R	26.6	Very low	29.6	Very low	166 Å²	166	127 Å²	127	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-68.8	-37.2	179.4	-155.9	177.5	-65.2	-169.4	-1.1	112	S478 S479 Q485 N486	S478-R482 WeakPolarHBondContact O-CB 3.33Å; S478-R482 PolarHBondContact O-N 2.95Å; S479-R482 PolarHBondContact O-N 3.36Å; R482-Q485 PolarHBondContact O-N 2.98Å; R482-N486 WeakPolarHBondContact O-CB 3.49Å; R482-N486 VanDerWaalsContact O-CG 3.29Å; R482-N486 PolarHBondContact O-N 3.43Å
483	Y	32	Very low	29.8	Very low	144 Å²	144	122 Å²	122	57%	0.565	58%	0.583	S	S	*	*	H	α-helix	trans	-67.2	-41.1	173.5	-173.1	-95.3	0	0	0	112.7	S479	S479-Y483 PolarHBondContact O-N 2.94Å
484	E	33	Very low	30.1	Very low	85 Å²	85	116.7 Å²	116.7	40%	0.397	56%	0.563	S	S	.	*	H	α-helix	trans	-66.2	-41.1	173.2	-78.5	-147.3	158.8	0	0	112.4	W476 T480 W481 H487 F488	W476-E484 HydrophobicContact CH2-CG 4.24Å; W476-E484 WeakPolarHBondContact CH2-OE1 3.18Å; W476-E484 HydrophobicContact CZ3-CG 3.92Å; T480-E484 PolarHBondContact O-N 3.21Å; T480-E484 VanDerWaalsContact O-N 3.08Å; W481-E484 PolarHBondContact O-N 3.33Å; E484-H487 PolarHBondContact O-N 3.43Å; E484-F488 WeakPolarHBondContact O-CB 3.5Å; E484-F488 PolarHBondContact O-N 3Å; E484-F488 VanDerWaalsContact O-N 3.11Å
485	Q	31.7	Very low	30.6	Very low	108 Å²	108	113.2 Å²	113.2	51%	0.505	55%	0.553	S	S	.	*	H	α-helix	trans	-63.5	-45.6	178.4	-81.5	-141.9	-40.9	0	0	113.1	W481 R482 H487 F488 T489	W481-Q485 HydrophobicContact CE3-CG 3.81Å; W481-Q485 HydrophobicContact CZ3-CG 3.88Å; W481-Q485 PolarHBondContact O-N 3.47Å; R482-Q485 PolarHBondContact O-N 2.98Å; Q485-H487 PolarHBondContact O-N 3.15Å; Q485-H487 VanDerWaalsContact O-N 3.12Å; Q485-F488 PolarHBondContact O-N 3.38Å; Q485-T489 PolarHBondContact O-N 2.92Å
486	N	30.1	Very low	31	Very low	114 Å²	114	110.2 Å²	110.2	61%	0.61	54%	0.543	S	S	*	.	H	α-helix	trans	-65.5	-15.3	-179.3	-70.6	-0.6	0	0	0	113.4	R482	R482-N486 WeakPolarHBondContact O-CB 3.49Å; R482-N486 VanDerWaalsContact O-CG 3.29Å; R482-N486 PolarHBondContact O-N 3.43Å
487	H	36.6	Very low	31.5	Very low	125 Å²	125	112.1 Å²	112.1	58%	0.579	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-2.3	169.8	-89.7	-54.9	0	0	0	114.3	E484 Q485	E484-H487 PolarHBondContact O-N 3.43Å; Q485-H487 PolarHBondContact O-N 3.15Å; Q485-H487 VanDerWaalsContact O-N 3.12Å
488	F	30.1	Very low	32.1	Very low	89 Å²	89	108.4 Å²	108.4	39%	0.39	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-17.9	-179.3	-118.1	-91.7	0	0	0	114.5	E484 Q485 D490 Y491	E484-F488 WeakPolarHBondContact O-CB 3.5Å; E484-F488 PolarHBondContact O-N 3Å; E484-F488 VanDerWaalsContact O-N 3.11Å; Q485-F488 PolarHBondContact O-N 3.38Å; F488-D490 VanDerWaalsContact C-N 3.34Å; F488-D490 PolarHBondContact O-N 3.45Å; F488-Y491 WeakPolarHBondContact O-CB 3.45Å; F488-Y491 PolarHBondContact O-N 3.25Å; F488-Y491 VanDerWaalsContact O-N 3.11Å
489	T	30.9	Very low	32.4	Very low	105 Å²	105	108.9 Å²	108.9	64%	0.644	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-31.6	-174.8	38.7	0	0	0	0	113.6	Q485 Y491	Q485-T489 PolarHBondContact O-N 2.92Å; T489-Y491 PolarHBondContact O-N 3.17Å
490	D	31.6	Very low	32.7	Very low	119 Å²	119	112.6 Å²	112.6	64%	0.636	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-6	173	-84.4	5.3	0	0	0	114.6	F488 Q492	F488-D490 VanDerWaalsContact C-N 3.34Å; F488-D490 PolarHBondContact O-N 3.45Å; D490-Q492 PolarHBondContact O-N 3.07Å
491	Y	29.3	Very low	32.7	Very low	103 Å²	103	117.1 Å²	117.1	40%	0.404	54%	0.543	S	S	.	.			trans	-96.1	42.3	-174.5	-84.7	-80.4	0	0	0	114.2	F488 T489 C493 R589	F488-Y491 WeakPolarHBondContact O-CB 3.45Å; F488-Y491 PolarHBondContact O-N 3.25Å; F488-Y491 VanDerWaalsContact O-N 3.11Å; T489-Y491 PolarHBondContact O-N 3.17Å; Y491-C493 PolarHBondContact O-N 3.33Å; Y491-R589 VanDerWaalsContact CE1-NH1 3.34Å
492	Q	31.4	Very low	33	Very low	148 Å²	148	113.6 Å²	113.6	69%	0.692	54%	0.535	S	S	*	.			trans	-63.9	132.6	160.6	-74.1	-163.2	4.2	0	0	110.4	D490 N494	D490-Q492 PolarHBondContact O-N 3.07Å; Q492-N494 HydrophobicContact CB-CB 4.43Å; Q492-N494 PolarHBondContact O-N 2.91Å
493	C	29.4	Very low	33.3	Very low	55 Å²	55	113.7 Å²	113.7	37%	0.372	54%	0.54	S	S	.	.			trans	-71.8	72.3	169.3	-71.1	0	0	0	0	109.9	Y491 N495 D498 C585	Y491-C493 PolarHBondContact O-N 3.33Å; C493-N495 VanDerWaalsContact C-N 3.32Å; C493-N495 PolarHBondContact O-N 3.44Å; C493-D498 HydrophobicContact CB-CB 4.49Å; C493-C585 VanDerWaalsContact SG-SG 3.67Å
494	N	33.6	Very low	33.5	Very low	89 Å²	89	112.8 Å²	112.8	48%	0.476	55%	0.545	S	S	.	.			trans	-84.2	-1.1	-163.7	-132.9	-10.3	0	0	0	114.6	Q492 N496 K499	Q492-N494 HydrophobicContact CB-CB 4.43Å; Q492-N494 PolarHBondContact O-N 2.91Å; N494-N496 PolarHBondContact O-N 3.48Å; N494-K499 PolarHBondContact OD1-NZ 3.35Å
495	N	36.5	Very low	33.6	Very low	103 Å²	103	115.6 Å²	115.6	55%	0.551	56%	0.557	S	S	*	*			trans	-69.8	128.8	173.5	-76.6	-47.1	0	0	0	111.6	C493 K497 D498 K499	C493-N495 VanDerWaalsContact C-N 3.32Å; C493-N495 PolarHBondContact O-N 3.44Å; N495-K497 PolarHBondContact O-N 2.85Å; N495-K497 VanDerWaalsContact O-N 3.15Å; N495-D498 HydrophobicContact CB-CB 4.3Å; N495-D498 WeakPolarHBondContact CB-OD2 3.5Å; N495-D498 WeakPolarHBondContact O-CB 3.17Å; N495-D498 PolarHBondContact O-N 3.39Å; N495-K499 PolarHBondContact O-N 3.07Å; N495-K499 VanDerWaalsContact O-N 3.15Å
496	N	34.7	Very low	33.7	Very low	129 Å²	129	113.2 Å²	113.2	69%	0.69	55%	0.553	S	S	*	*	H	α-helix	trans	-60.8	-25	177.7	-75.8	-24.4	0	0	0	114	N494 K500	N494-N496 PolarHBondContact O-N 3.48Å; N496-K500 PolarHBondContact O-N 3.27Å
497	K	36.5	Very low	33.8	Very low	174 Å²	174	112 Å²	112	76%	0.757	55%	0.554	S	S	*	*	H	α-helix	trans	-65.2	-42.1	170.1	-71.1	-177.1	178.8	176.6	0	111.6	N495 K500 Y501	N495-K497 PolarHBondContact O-N 2.85Å; N495-K497 VanDerWaalsContact O-N 3.15Å; K497-K500 PolarHBondContact O-N 3.05Å; K497-Y501 WeakPolarHBondContact O-CD2 3.1Å
498	D	41.2	Very low	33.7	Very low	39 Å²	39	110.1 Å²	110.1	21%	0.209	55%	0.551	C	S	.	*	H	α-helix	trans	-70.5	-34.1	-179.2	-59.8	-26.2	0	0	0	111.1	C493 N495 K500 Y501 L502 K592	C493-D498 HydrophobicContact CB-CB 4.49Å; N495-D498 HydrophobicContact CB-CB 4.3Å; N495-D498 WeakPolarHBondContact CB-OD2 3.5Å; N495-D498 WeakPolarHBondContact O-CB 3.17Å; N495-D498 PolarHBondContact O-N 3.39Å; D498-K500 VanDerWaalsContact C-N 3.29Å; D498-K500 PolarHBondContact O-N 3.32Å; D498-Y501 PolarHBondContact O-N 2.87Å; D498-L502 PolarHBondContact O-N 3.43Å; D498-K592 IonicContact OD1-NZ 3.64Å; D498-K592 IonicContact OD2-NZ 3.55Å
499	K	34.3	Very low	33.8	Very low	93 Å²	93	108.8 Å²	108.8	40%	0.404	55%	0.552	S	S	.	*	H	α-helix	trans	-59.9	-32.3	171.9	-71.3	176.5	-177.9	161.8	0	113.5	N494 N495 L502 K503	N494-K499 PolarHBondContact OD1-NZ 3.35Å; N495-K499 PolarHBondContact O-N 3.07Å; N495-K499 VanDerWaalsContact O-N 3.15Å; K499-L502 PolarHBondContact O-N 3.21Å; K499-K503 PolarHBondContact O-N 2.97Å; K499-K503 VanDerWaalsContact O-N 3.1Å
500	K	34.3	Very low	33.9	Very low	163 Å²	163	109.8 Å²	109.8	71%	0.709	55%	0.554	S	S	*	*	H	α-helix	trans	-69.3	-32.2	177.4	-161.7	173.7	-175.1	176.2	0	112.4	N496 K497 D498	N496-K500 PolarHBondContact O-N 3.27Å; K497-K500 PolarHBondContact O-N 3.05Å; D498-K500 VanDerWaalsContact C-N 3.29Å; D498-K500 PolarHBondContact O-N 3.32Å
501	Y	33.1	Very low	34.1	Very low	160 Å²	160	111.1 Å²	111.1	63%	0.627	56%	0.556	S	S	*	*	H	α-helix	trans	-73.2	-37.7	173.3	-66.2	-77.7	0	0	0	112.3	K497 D498	K497-Y501 WeakPolarHBondContact O-CD2 3.1Å; D498-Y501 PolarHBondContact O-N 2.87Å
502	L	36.4	Very low	34.2	Very low	74 Å²	74	114.8 Å²	114.8	39%	0.387	57%	0.574	S	S	.	*	H	α-helix	trans	-70.1	-35.3	178.6	-92.5	134.8	0	0	0	113.9	D498 K499 N504 H505 S506 K581	D498-L502 PolarHBondContact O-N 3.43Å; K499-L502 PolarHBondContact O-N 3.21Å; L502-N504 VanDerWaalsContact C-N 3.26Å; L502-N504 PolarHBondContact O-N 2.92Å; L502-H505 PolarHBondContact O-N 3.49Å; L502-S506 PolarHBondContact O-OG 3.21Å; L502-K581 HydrophobicContact CD2-CD 4.47Å
503	K	33.5	Very low	34.1	Very low	168 Å²	168	109 Å²	109	73%	0.73	55%	0.549	S	S	*	.	H	α-helix	trans	-63.3	-28	-178	-121.4	-180	-179.7	-177	0	113.9	K499 S506	K499-K503 PolarHBondContact O-N 2.97Å; K499-K503 VanDerWaalsContact O-N 3.1Å; K503-S506 PolarHBondContact O-OG 3.11Å
504	N	34.9	Very low	34.3	Very low	126 Å²	126	111.5 Å²	111.5	67%	0.674	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-10.8	-176.9	-69	0.8	0	0	0	114	L502	L502-N504 VanDerWaalsContact C-N 3.26Å; L502-N504 PolarHBondContact O-N 2.92Å
505	H	36.6	Very low	34.4	Very low	143 Å²	143	113.7 Å²	113.7	66%	0.662	56%	0.561	S	S	*	*	S	Bend	trans	-118.8	6.5	-179.8	-75.7	-81.8	0	0	0	113.9	L502	L502-H505 PolarHBondContact O-N 3.49Å
506	S	33.6	Very low	34.2	Very low	58 Å²	58	111.5 Å²	111.5	41%	0.406	55%	0.554	S	S	.	*	S	Bend	trans	-99.8	-6.7	-178.4	54.1	0	0	0	0	115.2	L502 K503 V508	L502-S506 PolarHBondContact O-OG 3.21Å; K503-S506 PolarHBondContact O-OG 3.11Å; S506-V508 VanDerWaalsContact C-N 3.28Å; S506-V508 PolarHBondContact O-N 3.4Å
507	S	31.8	Very low	34.3	Very low	90 Å²	90	108 Å²	108	63%	0.629	54%	0.535	S	S	*	.	S	Bend	trans	-77.5	-2.5	-175.1	49.7	0	0	0	0	115.3
508	V	34	Very low	34.1	Very low	85 Å²	85	102.3 Å²	102.3	52%	0.515	52%	0.52	S	S	.	.			trans	-121.9	70.5	-179.7	-170.3	0	0	0	0	110.3	N289 S506	N289-V508 HydrophobicContact CB-CG2 4.01Å; S506-V508 VanDerWaalsContact C-N 3.28Å; S506-V508 PolarHBondContact O-N 3.4Å
509	S	31.7	Very low	33.7	Very low	61 Å²	61	109.4 Å²	109.4	43%	0.427	54%	0.544	S	S	.	.	S	Bend	trans	-147	118.8	167.4	52.7	0	0	0	0	110.3	E511 K514	S509-E511 PolarHBondContact O-N 3.25Å; S509-K514 WeakPolarHBondContact OG-CE 3.37Å
510	N	33.5	Very low	33.6	Very low	126 Å²	126	110 Å²	110	67%	0.674	55%	0.551	S	S	*	*			trans	-59.4	124.3	-171.2	-159	-11.7	0	0	0	110.8	K512 C513	N510-K512 PolarHBondContact O-N 2.99Å; N510-K512 VanDerWaalsContact O-N 3.15Å; N510-C513 PolarHBondContact O-N 3.05Å
511	E	36.3	Very low	33.6	Very low	147 Å²	147	105.8 Å²	105.8	69%	0.687	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.9	-167.8	-135.4	134	-137.7	0	0	112.4	S509 C513 K514	S509-E511 PolarHBondContact O-N 3.25Å; E511-C513 VanDerWaalsContact C-N 3.26Å; E511-C513 PolarHBondContact O-N 3.43Å; E511-K514 PolarHBondContact O-N 3.03Å; E511-K514 VanDerWaalsContact O-N 3.09Å
512	K	30.2	Very low	33.6	Very low	179 Å²	179	105.9 Å²	105.9	78%	0.778	55%	0.55	S	S	*	*	H	α-helix	trans	-59.9	-27	173.5	-64.3	-176	177.2	-176.9	0	114.2	N510 S516	N510-K512 PolarHBondContact O-N 2.99Å; N510-K512 VanDerWaalsContact O-N 3.15Å; K512-S516 PolarHBondContact O-OG 2.7Å
513	C	30.1	Very low	33.4	Very low	26 Å²	26	107.4 Å²	107.4	18%	0.176	56%	0.558	C	S	.	*	H	α-helix	trans	-87.2	-5.8	178.1	-149.4	0	0	0	0	112.9	N510 E511 I517 C570 Q574	N510-C513 PolarHBondContact O-N 3.05Å; E511-C513 VanDerWaalsContact C-N 3.26Å; E511-C513 PolarHBondContact O-N 3.43Å; C513-I517 WeakPolarHBondContact O-CD1 3.4Å; C513-C570 WeakPolarHBondContact CB-SG 3.46Å; C513-C570 WeakPolarHBondContact SG-CB 3.5Å; C513-C570 CovalentContact SG-SG 2.08Å; C513-C570 PolarHBondContact SG-SG 2.88Å; C513-Q574 PolarHBondContact SG-NE2 3.49Å; C513-Q574 VanDerWaalsContact SG-NE2 3.38Å
514	K	34.5	Very low	33.5	Very low	109 Å²	109	106.8 Å²	106.8	47%	0.474	56%	0.558	S	S	.	*	H	α-helix	trans	-85.7	-46.9	171.6	-65.9	177	-176	164.1	0	111.6	S509 E511 S516 I517 A518	S509-K514 WeakPolarHBondContact OG-CE 3.37Å; E511-K514 PolarHBondContact O-N 3.03Å; E511-K514 VanDerWaalsContact O-N 3.09Å; K514-S516 VanDerWaalsContact C-N 3.32Å; K514-S516 PolarHBondContact O-N 3.26Å; K514-I517 PolarHBondContact O-N 3.07Å; K514-A518 PolarHBondContact O-N 3.03Å
515	H	35.6	Very low	33.5	Very low	135 Å²	135	109.5 Å²	109.5	63%	0.625	57%	0.567	S	S	*	*	H	α-helix	trans	-65.9	-31.9	-177	-115.5	-69.1	0	0	0	114	R519	H515-R519 PolarHBondContact O-N 2.76Å
516	S	31.8	Very low	33.3	Very low	56 Å²	56	109.7 Å²	109.7	39%	0.392	57%	0.573	S	S	.	*	H	α-helix	trans	-73	-28.9	179.5	33.3	0	0	0	0	112.9	K512 K514 L520	K512-S516 PolarHBondContact O-OG 2.7Å; K514-S516 VanDerWaalsContact C-N 3.32Å; K514-S516 PolarHBondContact O-N 3.26Å; S516-L520 WeakPolarHBondContact O-CD1 3.41Å; S516-L520 WeakPolarHBondContact O-CG 3.46Å; S516-L520 PolarHBondContact O-N 3.19Å
517	I	36.5	Very low	33.2	Very low	57 Å²	57	111.9 Å²	111.9	29%	0.292	58%	0.579	S	S	.	*	H	α-helix	trans	-80.2	-36.3	177.7	-64.6	175.6	0	0	0	111.2	C513 K514 R519 L520 S521	C513-I517 WeakPolarHBondContact O-CD1 3.4Å; K514-I517 PolarHBondContact O-N 3.07Å; I517-R519 VanDerWaalsContact C-N 3.3Å; I517-R519 PolarHBondContact O-N 3.47Å; I517-L520 PolarHBondContact O-N 2.7Å; I517-L520 VanDerWaalsContact O-N 3.12Å; I517-S521 PolarHBondContact O-N 2.82Å; I517-S521 PolarHBondContact O-OG 3.33Å
518	A	33.2	Very low	33.2	Very low	53 Å²	53	114.5 Å²	114.5	44%	0.438	59%	0.586	S	S	.	*	H	α-helix	trans	-61.2	-35.9	174.8	0	0	0	0	0	113	K514 S521	K514-A518 PolarHBondContact O-N 3.03Å; A518-S521 PolarHBondContact O-OG 2.69Å
519	R	31.7	Very low	33.1	Very low	188 Å²	188	118 Å²	118	71%	0.709	60%	0.601	S	S	*	*	H	α-helix	trans	-71.2	-35.7	172.2	-68	-172	-171.9	178.6	3.3	112.6	H515 I517 M522 N523	H515-R519 PolarHBondContact O-N 2.76Å; I517-R519 VanDerWaalsContact C-N 3.3Å; I517-R519 PolarHBondContact O-N 3.47Å; R519-M522 PolarHBondContact O-N 2.94Å; R519-N523 PolarHBondContact O-N 2.98Å
520	L	32.6	Very low	33.1	Very low	105 Å²	105	120.5 Å²	120.5	55%	0.55	61%	0.614	S	S	.	*	H	α-helix	trans	-71.1	-29.4	178.3	-75.4	167.1	0	0	0	113.2	S516 I517 M522	S516-L520 WeakPolarHBondContact O-CD1 3.41Å; S516-L520 WeakPolarHBondContact O-CG 3.46Å; S516-L520 PolarHBondContact O-N 3.19Å; I517-L520 PolarHBondContact O-N 2.7Å; I517-L520 VanDerWaalsContact O-N 3.12Å; L520-M522 VanDerWaalsContact C-N 3.25Å; L520-M522 PolarHBondContact O-N 3.46Å
521	S	33.1	Very low	32.8	Very low	75 Å²	75	118.8 Å²	118.8	52%	0.524	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-15.1	171.2	48.8	0	0	0	0	114.4	I517 A518	I517-S521 PolarHBondContact O-N 2.82Å; I517-S521 PolarHBondContact O-OG 3.33Å; A518-S521 PolarHBondContact O-OG 2.69Å
522	M	33.5	Very low	32.5	Very low	163 Å²	163	119.6 Å²	119.6	80%	0.803	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-13.1	177.4	-75.3	177.4	160.2	0	0	113.6	R519 L520	R519-M522 PolarHBondContact O-N 2.94Å; L520-M522 VanDerWaalsContact C-N 3.25Å; L520-M522 PolarHBondContact O-N 3.46Å
523	N	33.3	Very low	32.6	Very low	105 Å²	105	118.7 Å²	118.7	56%	0.561	62%	0.621	S	S	*	*			trans	-103.4	20.3	-177.3	-100	13.9	0	0	0	114.5	R519 Q525 N526	R519-N523 PolarHBondContact O-N 2.98Å; N523-Q525 PolarHBondContact O-N 3.07Å; N523-Q525 VanDerWaalsContact O-N 3.08Å; N523-N526 PolarHBondContact O-N 2.79Å
524	Q	35.9	Very low	32.6	Very low	155 Å²	155	123.9 Å²	123.9	72%	0.724	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-4.7	-175.4	-79.9	-170.5	-43.9	0	0	115.7
525	Q	33.4	Very low	32.1	Very low	184 Å²	184	128.7 Å²	128.7	86%	0.86	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-13.2	176.3	-75.9	175.6	-49.4	0	0	114.6	N523	N523-Q525 PolarHBondContact O-N 3.07Å; N523-Q525 VanDerWaalsContact O-N 3.08Å
526	N	32.2	Very low	31.9	Very low	147 Å²	147	128.5 Å²	128.5	79%	0.786	67%	0.672	S	S	*	*	S	Bend	trans	-111.3	13.3	-176.6	-88.9	-5.5	0	0	0	115.1	N523	N523-N526 PolarHBondContact O-N 2.79Å
527	I	33	Very low	31.8	Very low	104 Å²	104	132.1 Å²	132.1	53%	0.533	69%	0.692	S	S	.	*			trans	-121	56.4	-176.5	-42.8	179.1	0	0	0	111.2
528	N	31.8	Very low	31.5	Very low	145 Å²	145	133 Å²	133	78%	0.775	71%	0.708	S	S	*	*	S	Bend	trans	-113.5	-7.8	171.3	-83.2	-13.5	0	0	0	114.2
529	N	30.3	Very low	31.4	Very low	157 Å²	157	138 Å²	138	84%	0.84	73%	0.727	S	S	*	*	S	Bend	trans	-122.3	39	-171.6	-71.1	-2.7	0	0	0	114
530	T	32.5	Very low	31.2	Very low	114 Å²	114	137.3 Å²	137.3	70%	0.699	74%	0.737	S	S	*	*			trans	-149.6	131.3	176.9	-21.2	0	0	0	0	115.6	L532	T530-L532 VanDerWaalsContact C-N 3.33Å; T530-L532 PolarHBondContact O-N 3.27Å
531	S	27.3	Very low	30.9	Very low	91 Å²	91	137.9 Å²	137.9	64%	0.636	75%	0.745	S	S	*	*			trans	-80.3	36.6	-161.4	45.9	0	0	0	0	116.7	M533	S531-M533 VanDerWaalsContact C-N 3.27Å; S531-M533 PolarHBondContact O-N 3.03Å; S531-M533 VanDerWaalsContact O-N 3.08Å
532	L	30.9	Very low	30.6	Very low	164 Å²	164	140 Å²	140	86%	0.859	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	11.1	-167.3	-143.6	78.7	0	0	0	116.8	T530	T530-L532 VanDerWaalsContact C-N 3.33Å; T530-L532 PolarHBondContact O-N 3.27Å
533	M	30.6	Very low	30.4	Very low	160 Å²	160	137.2 Å²	137.2	79%	0.788	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-7.6	-177.5	-87.1	-75.6	-165.4	0	0	115.2	S531	S531-M533 VanDerWaalsContact C-N 3.27Å; S531-M533 PolarHBondContact O-N 3.03Å; S531-M533 VanDerWaalsContact O-N 3.08Å
534	N	30.1	Very low	30	Very low	134 Å²	134	139 Å²	139	72%	0.717	78%	0.777	S	S	*	*	S	Bend	trans	-95.3	-1.4	-173.2	-75	3	0	0	0	115.3
535	Y	25.8	Very low	29.8	Very low	210 Å²	210	138 Å²	138	82%	0.824	78%	0.782	S	S	*	*	S	Bend	trans	-97.7	7.1	-166.1	-97	-78.3	0	0	0	117.2
536	T	31.3	Very low	29.4	Very low	131 Å²	131	136.2 Å²	136.2	80%	0.804	78%	0.778	S	S	*	*	S	Bend	trans	-126.3	17.7	-171	49.2	0	0	0	0	116.3
537	T	29.5	Very low	29.3	Very low	132 Å²	132	135.9 Å²	135.9	81%	0.81	78%	0.781	S	S	*	*	S	Bend	trans	-137.1	9.5	-175.6	21.7	0	0	0	0	117
538	A	30.4	Very low	28.9	Very low	75 Å²	75	138.3 Å²	138.3	62%	0.62	80%	0.796	S	S	*	*	S	Bend	trans	-114.7	-30	-172.2	0	0	0	0	0	117.1
539	N	29.8	Very low	28.7	Very low	158 Å²	158	139.8 Å²	139.8	85%	0.845	80%	0.8	S	S	*	*	S	Bend	trans	-107.8	41.9	-164.6	-67.8	14.5	0	0	0	114.8
540	L	28.1	Very low	28.7	Very low	175 Å²	175	138.6 Å²	138.6	92%	0.916	80%	0.799	S	S	*	*	S	Bend	trans	-131.1	35.2	179.1	-101.4	162.8	0	0	0	113.5
541	T	26.3	Very low	28.4	Very low	116 Å²	116	143.7 Å²	143.7	71%	0.712	81%	0.806	S	S	*	*	S	Bend	trans	-144	143.7	163.2	44.1	0	0	0	0	108.8
542	S	27.1	Very low	28.4	Very low	119 Å²	119	146.6 Å²	146.6	83%	0.832	82%	0.815	S	S	*	*			trans	55	92	171.4	48.5	0	0	0	0	117.9
543	A	28.7	Very low	28.3	Very low	105 Å²	105	143.9 Å²	143.9	87%	0.868	81%	0.807	S	S	*	*			trans	-166.5	83.5	145.2	0	0	0	0	0	110.7
544	T	25.5	Very low	28.3	Very low	143 Å²	143	141.6 Å²	141.6	88%	0.877	80%	0.802	S	S	*	*			trans	-77	130.6	157.4	-42.9	0	0	0	0	107.4
545	V	31	Very low	28.2	Very low	135 Å²	135	138.1 Å²	138.1	82%	0.818	80%	0.797	S	S	*	*			trans	179.9	134	151.7	142.2	0	0	0	0	108.9
546	N	25.2	Very low	28.5	Very low	146 Å²	146	134.6 Å²	134.6	78%	0.781	79%	0.793	S	S	*	*			trans	-77.9	149.5	170.8	-65.5	-34.9	0	0	0	110.3
547	T	29.3	Very low	28.5	Very low	139 Å²	139	132.3 Å²	132.3	85%	0.853	78%	0.779	S	S	*	*				-178.5	154.9	114.6	32.2	0	0	0	0	111.5
548	N	25.3	Very low	28.7	Very low	156 Å²	156	128.8 Å²	128.8	83%	0.834	76%	0.76	S	S	*	*			trans	-67.2	140.2	179.5	-55.5	-42	0	0	0	112.3
549	M	28.6	Very low	29	Very low	175 Å²	175	131.1 Å²	131.1	86%	0.862	76%	0.758	S	S	*	*			trans	-163.6	119.7	134.1	-113.2	179.1	-72.5	0	0	113.1
550	T	29.7	Very low	29.3	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	75%	0.748	S	S	*	*			trans	37.6	127.9	144.4	43.1	0	0	0	0	122.7
551	Y	25.3	Very low	29.6	Very low	220 Å²	220	127.5 Å²	127.5	86%	0.863	73%	0.734	S	S	*	*			trans	-42	139.1	168	-108.9	-120.6	0	0	0	116.3
552	N	28.9	Very low	30.2	Very low	152 Å²	152	127.4 Å²	127.4	81%	0.813	73%	0.728	S	S	*	*			trans	-152.8	131.1	138.6	-110.8	-29.8	0	0	0	110.6	V554	N552-V554 PolarHBondContact O-N 2.89Å
553	P	28.3	Very low	30.7	Very low	108 Å²	108	125.8 Å²	125.8	70%	0.701	71%	0.71	S	S	*	*			trans	-90	97	-167.8	34	-34.3	0	0	0	113.5	G555	P553-G555 PolarHBondContact O-N 3.31Å
554	V	29.8	Very low	31.2	Very low	112 Å²	112	123.7 Å²	123.7	68%	0.679	69%	0.689	S	S	*	*			trans	-80.1	89.2	174.1	-171.1	0	0	0	0	110.9	N552 N556 T557	N552-V554 PolarHBondContact O-N 2.89Å; V554-N556 VanDerWaalsContact C-N 3.35Å; V554-N556 PolarHBondContact O-N 2.83Å; V554-T557 WeakPolarHBondContact CG1-OG1 3.19Å
555	G	27.8	Very low	31.9	Very low	60 Å²	60	121.7 Å²	121.7	62%	0.619	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-0.7	-166.3	0	0	0	0	0	118.9	P553	P553-G555 PolarHBondContact O-N 3.31Å
556	N	31.7	Very low	32.7	Very low	137 Å²	137	118 Å²	118	73%	0.733	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	-18.9	-172.3	-82	-33.2	0	0	0	116.1	V554	V554-N556 VanDerWaalsContact C-N 3.35Å; V554-N556 PolarHBondContact O-N 2.83Å
557	T	33.2	Very low	33.7	Very low	83 Å²	83	118.3 Å²	118.3	51%	0.509	65%	0.647	S	S	.	*	H	α-helix	trans	-73.6	-33.6	-174.2	-16.5	0	0	0	0	113	V554 Q559 I560	V554-T557 WeakPolarHBondContact CG1-OG1 3.19Å; T557-Q559 VanDerWaalsContact C-N 3.33Å; T557-Q559 PolarHBondContact O-N 3.49Å; T557-I560 PolarHBondContact O-N 3.34Å
558	S	33.8	Very low	34.9	Very low	58 Å²	58	115.2 Å²	115.2	41%	0.406	63%	0.628	S	S	.	*	H	α-helix	trans	-65.5	-30.1	-176.3	54.3	0	0	0	0	114	I560 I562	S558-I560 PolarHBondContact O-N 2.88Å; S558-I562 WeakPolarHBondContact O-CD1 3.49Å; S558-I562 VanDerWaalsContact O-CG1 3.24Å; S558-I562 WeakPolarHBondContact O-CG1 3.31Å; S558-I562 PolarHBondContact O-N 3.28Å
559	Q	36.2	Very low	36.2	Very low	124 Å²	124	113.7 Å²	113.7	58%	0.579	61%	0.614	S	S	*	*	H	α-helix	trans	-68.6	-33.9	178.6	-130.9	78	-20.8	0	0	112.3	T557 N563	T557-Q559 VanDerWaalsContact C-N 3.33Å; T557-Q559 PolarHBondContact O-N 3.49Å; Q559-N563 WeakPolarHBondContact O-CB 3.39Å; Q559-N563 PolarHBondContact O-N 3.11Å; Q559-N563 PolarHBondContact O-ND2 3.07Å
560	I	36.3	Very low	37.5	Very low	123 Å²	123	107.2 Å²	107.2	63%	0.631	59%	0.585	S	S	*	*	H	α-helix	trans	-75.7	-43.7	-175.7	-61.8	177.2	0	0	0	110.3	T557 S558 N563 S564	T557-I560 PolarHBondContact O-N 3.34Å; S558-I560 PolarHBondContact O-N 2.88Å; I560-N563 PolarHBondContact O-N 2.94Å; I560-S564 PolarHBondContact O-N 3.26Å
561	E	33.7	Very low	38.7	Very low	134 Å²	134	107.8 Å²	107.8	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-64.5	-42.2	175.6	-66.9	-167.2	133	0	0	112.6	N563 S564 L565	E561-N563 VanDerWaalsContact C-N 3.26Å; E561-N563 PolarHBondContact O-N 3.25Å; E561-S564 PolarHBondContact O-N 3.01Å; E561-S564 PolarHBondContact O-OG 3.21Å; E561-L565 WeakPolarHBondContact O-CB 3.48Å; E561-L565 PolarHBondContact O-N 3.42Å
562	I	39.1	Very low	40.5	Very low	113 Å²	113	100.9 Å²	100.9	58%	0.579	55%	0.55	S	S	*	.	H	α-helix	trans	-62.9	-36.2	176.6	-67.8	168.6	0	0	0	110.9	S558 S566	S558-I562 WeakPolarHBondContact O-CD1 3.49Å; S558-I562 VanDerWaalsContact O-CG1 3.24Å; S558-I562 WeakPolarHBondContact O-CG1 3.31Å; S558-I562 PolarHBondContact O-N 3.28Å; I562-S566 WeakPolarHBondContact O-CB 3.21Å; I562-S566 PolarHBondContact O-N 3.35Å; I562-S566 PolarHBondContact O-OG 3.17Å; I562-S566 VanDerWaalsContact O-OG 3.07Å
563	N	37.1	Very low	41.8	Very low	86 Å²	86	96.4 Å²	96.4	46%	0.46	53%	0.526	S	S	.	.	H	α-helix	trans	-71.9	-35.4	176	-80.6	-41.6	0	0	0	113.3	Q559 I560 E561 S566 K567	Q559-N563 WeakPolarHBondContact O-CB 3.39Å; Q559-N563 PolarHBondContact O-N 3.11Å; Q559-N563 PolarHBondContact O-ND2 3.07Å; I560-N563 PolarHBondContact O-N 2.94Å; E561-N563 VanDerWaalsContact C-N 3.26Å; E561-N563 PolarHBondContact O-N 3.25Å; N563-S566 PolarHBondContact O-OG 3.18Å; N563-S566 VanDerWaalsContact O-OG 3.07Å; N563-K567 VanDerWaalsContact O-CG 3.29Å; N563-K567 WeakPolarHBondContact O-CG 3.44Å; N563-K567 PolarHBondContact O-N 3.39Å
564	S	39.5	Very low	43.2	Very low	61 Å²	61	94.6 Å²	94.6	43%	0.427	51%	0.508	S	S	.	.	H	α-helix	trans	-70.5	-45.6	173.3	73.4	0	0	0	0	111	I560 E561 S566 K567 T568	I560-S564 PolarHBondContact O-N 3.26Å; E561-S564 PolarHBondContact O-N 3.01Å; E561-S564 PolarHBondContact O-OG 3.21Å; S564-S566 VanDerWaalsContact C-N 3.32Å; S564-S566 PolarHBondContact O-N 3.03Å; S564-K567 PolarHBondContact O-N 2.94Å; S564-T568 PolarHBondContact O-N 3.12Å; S564-T568 PolarHBondContact O-OG1 3.37Å; S564-T568 VanDerWaalsContact O-OG1 3.11Å
565	L	39.6	Very low	44.6	Very low	100 Å²	100	93.1 Å²	93.1	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-37	179.3	-136.8	82.1	0	0	0	112.4	E561 K569	E561-L565 WeakPolarHBondContact O-CB 3.48Å; E561-L565 PolarHBondContact O-N 3.42Å; L565-K569 WeakPolarHBondContact O-CB 3.43Å; L565-K569 VanDerWaalsContact O-CG 3.22Å; L565-K569 WeakPolarHBondContact O-CG 3.17Å; L565-K569 PolarHBondContact O-N 2.89Å
566	S	47.6	Very low	46.3	Very low	59 Å²	59	96.7 Å²	96.7	41%	0.413	49%	0.491	S	S	.	.	H	α-helix	trans	-71	-38.6	176.7	64.5	0	0	0	0	112.8	I562 N563 S564 K569 C570	I562-S566 WeakPolarHBondContact O-CB 3.21Å; I562-S566 PolarHBondContact O-N 3.35Å; I562-S566 PolarHBondContact O-OG 3.17Å; I562-S566 VanDerWaalsContact O-OG 3.07Å; N563-S566 PolarHBondContact O-OG 3.18Å; N563-S566 VanDerWaalsContact O-OG 3.07Å; S564-S566 VanDerWaalsContact C-N 3.32Å; S564-S566 PolarHBondContact O-N 3.03Å; S566-K569 PolarHBondContact O-N 3.2Å; S566-C570 PolarHBondContact O-N 2.77Å
567	K	46.9	Very low	47.8	Very low	151 Å²	151	93.3 Å²	93.3	66%	0.657	47%	0.471	S	S	*	.	H	α-helix	trans	-61.6	-48.6	171.3	-73.6	171.1	-177.1	175.9	0	111.2	N563 S564 K569 C570 W571	N563-K567 VanDerWaalsContact O-CG 3.29Å; N563-K567 WeakPolarHBondContact O-CG 3.44Å; N563-K567 PolarHBondContact O-N 3.39Å; S564-K567 PolarHBondContact O-N 2.94Å; K567-K569 VanDerWaalsContact C-N 3.33Å; K567-K569 PolarHBondContact O-N 3.21Å; K567-C570 WeakPolarHBondContact O-CB 3.45Å; K567-C570 PolarHBondContact O-N 3.23Å; K567-C570 VanDerWaalsContact O-N 3.08Å; K567-W571 PolarHBondContact O-N 3.43Å
568	T	55.7	Low	49	Very low	75 Å²	75	96.1 Å²	96.1	46%	0.46	48%	0.476	S	S	.	.	H	α-helix	trans	-60.8	-40.6	176.6	-57.6	0	0	0	0	111.7	S564 W571 I572	S564-T568 PolarHBondContact O-N 3.12Å; S564-T568 PolarHBondContact O-OG1 3.37Å; S564-T568 VanDerWaalsContact O-OG1 3.11Å; T568-W571 PolarHBondContact O-N 3.27Å; T568-I572 HydrophobicContact CG2-CD1 3.82Å; T568-I572 HydrophobicContact CG2-CG1 4.41Å; T568-I572 WeakPolarHBondContact O-CB 3.45Å; T568-I572 VanDerWaalsContact O-CG1 3.31Å; T568-I572 WeakPolarHBondContact O-CG1 3.39Å; T568-I572 PolarHBondContact O-N 3.21Å
569	K	50.9	Low	50.1	Low	124 Å²	124	96 Å²	96	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-66.3	-34.6	172.4	-74.3	170.9	-177.3	177.2	0	113.2	L565 S566 K567 N573	L565-K569 WeakPolarHBondContact O-CB 3.43Å; L565-K569 VanDerWaalsContact O-CG 3.22Å; L565-K569 WeakPolarHBondContact O-CG 3.17Å; L565-K569 PolarHBondContact O-N 2.89Å; S566-K569 PolarHBondContact O-N 3.2Å; K567-K569 VanDerWaalsContact C-N 3.33Å; K567-K569 PolarHBondContact O-N 3.21Å; K569-N573 WeakPolarHBondContact O-CB 3.28Å; K569-N573 PolarHBondContact O-N 3.29Å; K569-N573 PolarHBondContact O-ND2 2.87Å
570	C	56.1	Low	51.3	Low	38 Å²	38	95.2 Å²	95.2	26%	0.257	47%	0.471	S	S	.	.	H	α-helix	trans	-63.4	-49	170.8	-168.3	0	0	0	0	109.9	C513 S566 K567 N573 Q574	C513-C570 WeakPolarHBondContact CB-SG 3.46Å; C513-C570 WeakPolarHBondContact SG-CB 3.5Å; C513-C570 CovalentContact SG-SG 2.08Å; C513-C570 PolarHBondContact SG-SG 2.88Å; S566-C570 PolarHBondContact O-N 2.77Å; K567-C570 WeakPolarHBondContact O-CB 3.45Å; K567-C570 PolarHBondContact O-N 3.23Å; K567-C570 VanDerWaalsContact O-N 3.08Å; C570-N573 PolarHBondContact O-N 3.3Å; C570-Q574 WeakPolarHBondContact O-CG 3.47Å; C570-Q574 PolarHBondContact O-N 2.97Å; C570-Q574 PolarHBondContact SG-NE2 3.02Å; C570-Q574 VanDerWaalsContact SG-NE2 3.4Å
571	W	55	Low	52.4	Low	146 Å²	146	93.6 Å²	93.6	55%	0.553	46%	0.459	S	S	*	.	H	α-helix	trans	-63.5	-48.9	-176.4	-164.9	74.5	0	0	0	112.8	K567 T568 N573 Q574 L575	K567-W571 PolarHBondContact O-N 3.43Å; T568-W571 PolarHBondContact O-N 3.27Å; W571-N573 VanDerWaalsContact C-N 3.29Å; W571-N573 PolarHBondContact O-N 3.35Å; W571-Q574 PolarHBondContact O-N 3.41Å; W571-Q574 VanDerWaalsContact O-N 3.15Å; W571-L575 HydrophobicContact CD2-CD1 3.81Å; W571-L575 HydrophobicContact CD2-CG 4.35Å; W571-L575 HydrophobicContact CE3-CD1 3.55Å; W571-L575 HydrophobicContact CH2-CD1 3.65Å; W571-L575 HydrophobicContact CZ2-CD1 3.88Å; W571-L575 HydrophobicContact CZ3-CD1 3.47Å; W571-L575 VanDerWaalsContact CZ3-CD1 3.47Å; W571-L575 WeakPolarHBondContact O-CG 3.43Å; W571-L575 PolarHBondContact O-N 3.07Å
572	I	63.4	Low	53.5	Low	75 Å²	75	91.9 Å²	91.9	39%	0.385	45%	0.449	S	S	.	.	H	α-helix	trans	-58.5	-40.7	175.3	-69.4	169.4	0	0	0	111.3	T568 R576	T568-I572 HydrophobicContact CG2-CD1 3.82Å; T568-I572 HydrophobicContact CG2-CG1 4.41Å; T568-I572 WeakPolarHBondContact O-CB 3.45Å; T568-I572 VanDerWaalsContact O-CG1 3.31Å; T568-I572 WeakPolarHBondContact O-CG1 3.39Å; T568-I572 PolarHBondContact O-N 3.21Å; I572-R576 VanDerWaalsContact O-CB 3.31Å; I572-R576 WeakPolarHBondContact O-CB 3.33Å; I572-R576 PolarHBondContact O-N 3.29Å
573	N	56.3	Low	54.7	Low	57 Å²	57	89.6 Å²	89.6	31%	0.305	44%	0.443	S	S	.	.	H	α-helix	trans	-68.3	-40.7	176.9	-80	-45.8	0	0	0	112.2	K569 C570 W571 R576 E577	K569-N573 WeakPolarHBondContact O-CB 3.28Å; K569-N573 PolarHBondContact O-N 3.29Å; K569-N573 PolarHBondContact O-ND2 2.87Å; C570-N573 PolarHBondContact O-N 3.3Å; W571-N573 VanDerWaalsContact C-N 3.29Å; W571-N573 PolarHBondContact O-N 3.35Å; N573-R576 PolarHBondContact O-N 3.09Å; N573-R576 PolarHBondContact OD1-NH1 3.25Å; N573-R576 VanDerWaalsContact OD1-NH1 3.16Å; N573-E577 WeakPolarHBondContact O-CG 3.44Å; N573-E577 PolarHBondContact O-N 3.25Å
574	Q	57	Low	56	Low	70 Å²	70	87.9 Å²	87.9	33%	0.327	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-42.8	175.1	-71.9	-167.5	32.8	0	0	112.2	C513 C570 W571 R576 E577 F578	C513-Q574 PolarHBondContact SG-NE2 3.49Å; C513-Q574 VanDerWaalsContact SG-NE2 3.38Å; C570-Q574 WeakPolarHBondContact O-CG 3.47Å; C570-Q574 PolarHBondContact O-N 2.97Å; C570-Q574 PolarHBondContact SG-NE2 3.02Å; C570-Q574 VanDerWaalsContact SG-NE2 3.4Å; W571-Q574 PolarHBondContact O-N 3.41Å; W571-Q574 VanDerWaalsContact O-N 3.15Å; Q574-R576 VanDerWaalsContact C-N 3.32Å; Q574-R576 PolarHBondContact O-N 3.49Å; Q574-E577 PolarHBondContact O-N 3.15Å; Q574-F578 WeakPolarHBondContact O-CB 3.44Å; Q574-F578 PolarHBondContact O-N 3.47Å
575	L	59.9	Low	57.4	Low	82 Å²	82	86.9 Å²	86.9	43%	0.429	43%	0.428	S	S	.	.	H	α-helix	trans	-59.9	-41.6	172.4	-72.7	176.6	0	0	0	111.7	W571 F578 A579	W571-L575 HydrophobicContact CD2-CD1 3.81Å; W571-L575 HydrophobicContact CD2-CG 4.35Å; W571-L575 HydrophobicContact CE3-CD1 3.55Å; W571-L575 HydrophobicContact CH2-CD1 3.65Å; W571-L575 HydrophobicContact CZ2-CD1 3.88Å; W571-L575 HydrophobicContact CZ3-CD1 3.47Å; W571-L575 VanDerWaalsContact CZ3-CD1 3.47Å; W571-L575 WeakPolarHBondContact O-CG 3.43Å; W571-L575 PolarHBondContact O-N 3.07Å; L575-F578 PolarHBondContact O-N 3Å; L575-A579 VanDerWaalsContact O-CB 3.3Å; L575-A579 WeakPolarHBondContact O-CB 3.26Å; L575-A579 PolarHBondContact O-N 3.04Å
576	R	62.9	Low	58.6	Low	134 Å²	134	87.2 Å²	87.2	51%	0.506	43%	0.425	S	S	.	.	H	α-helix	trans	-67.2	-33.8	176.6	-168.8	-175.4	-70.9	140.9	-7.7	112.7	I572 N573 Q574 R580	I572-R576 VanDerWaalsContact O-CB 3.31Å; I572-R576 WeakPolarHBondContact O-CB 3.33Å; I572-R576 PolarHBondContact O-N 3.29Å; N573-R576 PolarHBondContact O-N 3.09Å; N573-R576 PolarHBondContact OD1-NH1 3.25Å; N573-R576 VanDerWaalsContact OD1-NH1 3.16Å; Q574-R576 VanDerWaalsContact C-N 3.32Å; Q574-R576 PolarHBondContact O-N 3.49Å; R576-R580 WeakPolarHBondContact O-CB 3.42Å; R576-R580 WeakPolarHBondContact O-CG 3.39Å; R576-R580 PolarHBondContact O-N 3.04Å; R576-R580 VanDerWaalsContact O-N 3.1Å; R576-R580 PolarHBondContact O-NE 3.11Å; R576-R580 VanDerWaalsContact O-NE 3.12Å
577	E	63.4	Low	59.6	Low	67 Å²	67	85.9 Å²	85.9	31%	0.313	41%	0.412	S	S	.	.	H	α-helix	trans	-70.5	-41.4	171	-71	-60.7	155.5	0	0	111.6	N573 Q574 R580 K581	N573-E577 WeakPolarHBondContact O-CG 3.44Å; N573-E577 PolarHBondContact O-N 3.25Å; Q574-E577 PolarHBondContact O-N 3.15Å; E577-R580 VanDerWaalsContact CD-CZ 3.4Å; E577-R580 VanDerWaalsContact CD-NH1 3.33Å; E577-R580 PolarHBondContact O-N 3.42Å; E577-R580 IonicContact OE1-CZ 3.08Å; E577-R580 IonicContact OE1-NH1 2.81Å; E577-R580 PolarHBondContact OE1-NH1 2.99Å; E577-R580 IonicContact OE1-NH2 2.66Å; E577-R580 PolarHBondContact OE1-NH2 3.08Å; E577-R580 IonicContact OE2-CZ 3.48Å; E577-R580 IonicContact OE2-NH1 3.27Å; E577-R580 PolarHBondContact OE2-NH1 3.11Å; E577-R580 IonicContact OE2-NH2 3.61Å; E577-K581 WeakPolarHBondContact O-CB 3.44Å; E577-K581 VanDerWaalsContact O-CG 3.3Å; E577-K581 WeakPolarHBondContact O-CG 3.26Å; E577-K581 PolarHBondContact O-N 3.37Å
578	F	58.8	Low	60.6	Low	141 Å²	141	80 Å²	80	62%	0.618	39%	0.391	S	S	*	.	H	α-helix	trans	-64.3	-46.1	177	-174.5	-96.6	0	0	0	111.7	Q574 L575 R580 K581 K582	Q574-F578 WeakPolarHBondContact O-CB 3.44Å; Q574-F578 PolarHBondContact O-N 3.47Å; L575-F578 PolarHBondContact O-N 3Å; F578-R580 PolarHBondContact O-N 3.38Å; F578-K581 PolarHBondContact O-N 3.2Å; F578-K582 WeakPolarHBondContact O-CB 3.45Å; F578-K582 PolarHBondContact O-N 3.46Å
579	A	57.5	Low	61.2	Low	57 Å²	57	82 Å²	82	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-42.6	174.2	0	0	0	0	0	112	L575 K582 C583	L575-A579 VanDerWaalsContact O-CB 3.3Å; L575-A579 WeakPolarHBondContact O-CB 3.26Å; L575-A579 PolarHBondContact O-N 3.04Å; A579-K582 PolarHBondContact O-N 3.42Å; A579-C583 WeakPolarHBondContact O-CB 3.44Å; A579-C583 PolarHBondContact O-N 3.07Å
580	R	60.1	Low	62.1	Low	107 Å²	107	79.4 Å²	79.4	40%	0.404	38%	0.38	S	S	.	.	H	α-helix	trans	-60.6	-46.9	172.7	-89.4	-179.7	-78.3	150.7	-3.8	112	R576 E577 F578 K582 C583 V584	R576-R580 WeakPolarHBondContact O-CB 3.42Å; R576-R580 WeakPolarHBondContact O-CG 3.39Å; R576-R580 PolarHBondContact O-N 3.04Å; R576-R580 VanDerWaalsContact O-N 3.1Å; R576-R580 PolarHBondContact O-NE 3.11Å; R576-R580 VanDerWaalsContact O-NE 3.12Å; E577-R580 VanDerWaalsContact CD-CZ 3.4Å; E577-R580 VanDerWaalsContact CD-NH1 3.33Å; E577-R580 PolarHBondContact O-N 3.42Å; E577-R580 IonicContact OE1-CZ 3.08Å; E577-R580 IonicContact OE1-NH1 2.81Å; E577-R580 PolarHBondContact OE1-NH1 2.99Å; E577-R580 IonicContact OE1-NH2 2.66Å; E577-R580 PolarHBondContact OE1-NH2 3.08Å; E577-R580 IonicContact OE2-CZ 3.48Å; E577-R580 IonicContact OE2-NH1 3.27Å; E577-R580 PolarHBondContact OE2-NH1 3.11Å; E577-R580 IonicContact OE2-NH2 3.61Å; F578-R580 PolarHBondContact O-N 3.38Å; R580-K582 PolarHBondContact O-N 3.03Å; R580-C583 WeakPolarHBondContact O-CB 3.25Å; R580-C583 PolarHBondContact O-N 3.16Å; R580-V584 WeakPolarHBondContact O-CG2 3.4Å; R580-V584 PolarHBondContact O-N 3.07Å
581	K	60.4	Low	62.9	Low	89 Å²	89	80.1 Å²	80.1	39%	0.387	38%	0.38	S	S	.	.	H	α-helix	trans	-59.8	-45.3	175.7	-73	170.2	-177.1	177.9	0	111.7	L502 E577 F578 C583 V584 C585	L502-K581 HydrophobicContact CD2-CD 4.47Å; E577-K581 WeakPolarHBondContact O-CB 3.44Å; E577-K581 VanDerWaalsContact O-CG 3.3Å; E577-K581 WeakPolarHBondContact O-CG 3.26Å; E577-K581 PolarHBondContact O-N 3.37Å; F578-K581 PolarHBondContact O-N 3.2Å; K581-C583 VanDerWaalsContact C-N 3.33Å; K581-C583 PolarHBondContact O-N 3.07Å; K581-V584 PolarHBondContact O-N 3.41Å; K581-C585 WeakPolarHBondContact O-CB 3.45Å; K581-C585 PolarHBondContact O-N 2.88Å; K581-C585 PolarHBondContact O-SG 3.4Å; K581-C585 VanDerWaalsContact O-SG 3.33Å
582	K	56.9	Low	64	Low	98 Å²	98	78.2 Å²	78.2	43%	0.426	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-42.1	175.4	-167.4	174.8	-176.7	176.6	0	111.5	F578 A579 R580 K586	F578-K582 WeakPolarHBondContact O-CB 3.45Å; F578-K582 PolarHBondContact O-N 3.46Å; A579-K582 PolarHBondContact O-N 3.42Å; R580-K582 PolarHBondContact O-N 3.03Å; K582-K586 PolarHBondContact O-N 3.15Å
583	C	63.5	Low	64.7	Low	65 Å²	65	75.8 Å²	75.8	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-50.3	176.1	-172.2	0	0	0	0	112.4	A579 R580 K581 C585 K586 F587	A579-C583 WeakPolarHBondContact O-CB 3.44Å; A579-C583 PolarHBondContact O-N 3.07Å; R580-C583 WeakPolarHBondContact O-CB 3.25Å; R580-C583 PolarHBondContact O-N 3.16Å; K581-C583 VanDerWaalsContact C-N 3.33Å; K581-C583 PolarHBondContact O-N 3.07Å; C583-C585 PolarHBondContact O-N 3Å; C583-K586 WeakPolarHBondContact O-CB 3.41Å; C583-K586 PolarHBondContact O-N 3.35Å; C583-K586 VanDerWaalsContact O-N 3.12Å; C583-F587 PolarHBondContact O-N 3.24Å
584	V	65.3	Low	65.9	Low	50 Å²	50	73.7 Å²	73.7	30%	0.303	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-42.1	178.2	172.2	0	0	0	0	111	F218 R580 K581 K586 F587 A588	F218-V584 HydrophobicContact CB-CG2 4.29Å; F218-V584 HydrophobicContact CD1-CG2 4.08Å; F218-V584 HydrophobicContact CG-CG2 4.23Å; R580-V584 WeakPolarHBondContact O-CG2 3.4Å; R580-V584 PolarHBondContact O-N 3.07Å; K581-V584 PolarHBondContact O-N 3.41Å; V584-K586 VanDerWaalsContact C-N 3.33Å; V584-K586 PolarHBondContact O-N 3.17Å; V584-F587 PolarHBondContact O-N 3.32Å; V584-A588 VanDerWaalsContact O-CB 3.24Å; V584-A588 WeakPolarHBondContact O-CB 3.08Å; V584-A588 PolarHBondContact O-N 3.43Å
585	C	68.8	Low	67.2	Low	40 Å²	40	77.6 Å²	77.6	27%	0.27	37%	0.373	S	S	.	.	H	α-helix	trans	-70.1	-25	175.8	-67.2	0	0	0	0	113.7	C493 K581 C583 R589	C493-C585 VanDerWaalsContact SG-SG 3.67Å; K581-C585 WeakPolarHBondContact O-CB 3.45Å; K581-C585 PolarHBondContact O-N 2.88Å; K581-C585 PolarHBondContact O-SG 3.4Å; K581-C585 VanDerWaalsContact O-SG 3.33Å; C583-C585 PolarHBondContact O-N 3Å; C585-R589 WeakPolarHBondContact O-CG 3.26Å; C585-R589 PolarHBondContact O-N 3.49Å; C585-R589 PolarHBondContact O-NE 3.5Å; C585-R589 VanDerWaalsContact O-NE 3.15Å
586	K	64.6	Low	68.5	Low	107 Å²	107	74.1 Å²	74.1	47%	0.465	36%	0.355	S	S	.	.	H	α-helix	trans	-70.8	-53.6	167.9	-171.3	-176.8	178.4	-173.4	0	109.7	K582 C583 V584 A588 R589 E590	K582-K586 PolarHBondContact O-N 3.15Å; C583-K586 WeakPolarHBondContact O-CB 3.41Å; C583-K586 PolarHBondContact O-N 3.35Å; C583-K586 VanDerWaalsContact O-N 3.12Å; V584-K586 VanDerWaalsContact C-N 3.33Å; V584-K586 PolarHBondContact O-N 3.17Å; K586-A588 VanDerWaalsContact C-N 3.34Å; K586-A588 PolarHBondContact O-N 3.41Å; K586-R589 WeakPolarHBondContact O-CB 2.97Å; K586-R589 PolarHBondContact O-N 3.26Å; K586-E590 PolarHBondContact O-N 3.03Å
587	F	68.7	Low	69.6	Low	31 Å²	31	67.8 Å²	67.8	14%	0.136	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-40.2	-178.9	-168.9	-100.5	0	0	0	112.9	L214 M215 F218 C583 V584 R589 E590 Q591	L214-F587 HydrophobicContact CB-CE1 3.97Å; L214-F587 HydrophobicContact CB-CE2 4.38Å; L214-F587 HydrophobicContact CB-CZ 3.57Å; L214-F587 HydrophobicContact CD1-CE2 3.84Å; L214-F587 HydrophobicContact CD1-CZ 3.66Å; L214-F587 HydrophobicContact CG-CZ 4.28Å; M215-F587 HydrophobicContact CB-CE1 4.46Å; M215-F587 HydrophobicContact CE-CD1 3.85Å; M215-F587 HydrophobicContact CE-CE1 4.18Å; F218-F587 HydrophobicContact CD2-CD1 4.05Å; F218-F587 HydrophobicContact CD2-CE1 4.35Å; F218-F587 AromaticContact CE2-CD1 3.93Å; F218-F587 HydrophobicContact CE2-CD1 3.93Å; F218-F587 HydrophobicContact CE2-CD2 4.36Å; F218-F587 HydrophobicContact CE2-CE1 4.24Å; F218-F587 HydrophobicContact CE2-CG 4Å; C583-F587 PolarHBondContact O-N 3.24Å; V584-F587 PolarHBondContact O-N 3.32Å; F587-R589 VanDerWaalsContact C-N 3.29Å; F587-R589 PolarHBondContact O-N 3.43Å; F587-E590 PolarHBondContact O-N 3.3Å; F587-Q591 WeakPolarHBondContact O-CB 3.01Å; F587-Q591 PolarHBondContact O-N 2.92Å
588	A	67.7	Low	70.8	Confident	27 Å²	27	66 Å²	66	22%	0.223	33%	0.331	C	S	.	.	H	α-helix	trans	-67.7	-25.4	175.5	0	0	0	0	0	113.5	M215 V584 K586 K592	M215-A588 HydrophobicContact CE-CB 4.3Å; V584-A588 VanDerWaalsContact O-CB 3.24Å; V584-A588 WeakPolarHBondContact O-CB 3.08Å; V584-A588 PolarHBondContact O-N 3.43Å; K586-A588 VanDerWaalsContact C-N 3.34Å; K586-A588 PolarHBondContact O-N 3.41Å; A588-K592 VanDerWaalsContact O-CG 3.28Å; A588-K592 WeakPolarHBondContact O-CG 3.37Å; A588-K592 PolarHBondContact O-N 3.34Å
589	R	67.8	Low	72.3	Confident	116 Å²	116	62.5 Å²	62.5	44%	0.438	32%	0.318	S	S	.	.	H	α-helix	trans	-76	-44.7	170.2	-77.1	-176.4	-69.1	162.5	-4.7	111.2	Y491 C585 K586 F587 Q591 K592 A593	Y491-R589 VanDerWaalsContact CE1-NH1 3.34Å; C585-R589 WeakPolarHBondContact O-CG 3.26Å; C585-R589 PolarHBondContact O-N 3.49Å; C585-R589 PolarHBondContact O-NE 3.5Å; C585-R589 VanDerWaalsContact O-NE 3.15Å; K586-R589 WeakPolarHBondContact O-CB 2.97Å; K586-R589 PolarHBondContact O-N 3.26Å; F587-R589 VanDerWaalsContact C-N 3.29Å; F587-R589 PolarHBondContact O-N 3.43Å; R589-Q591 VanDerWaalsContact C-N 3.28Å; R589-Q591 PolarHBondContact O-N 3.05Å; R589-K592 WeakPolarHBondContact O-CB 3.46Å; R589-K592 PolarHBondContact O-N 3.48Å; R589-K592 VanDerWaalsContact O-N 3.12Å; R589-A593 PolarHBondContact O-N 2.84Å
590	E	70.8	Confident	73.9	Confident	70 Å²	70	60 Å²	60	33%	0.327	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-39.4	173.5	-62.6	-61.3	162.9	0	0	111.6	R121 K586 F587 A593 A594	R121-E590 IonicContact CZ-OE2 3.87Å; R121-E590 IonicContact NH1-OE2 2.84Å; R121-E590 PolarHBondContact NH1-OE2 3.4Å; R121-E590 IonicContact NH2-OE2 3.97Å; K586-E590 PolarHBondContact O-N 3.03Å; F587-E590 PolarHBondContact O-N 3.3Å; E590-A593 PolarHBondContact O-N 2.98Å; E590-A594 WeakPolarHBondContact O-CB 3.49Å; E590-A594 PolarHBondContact O-N 2.95Å
591	Q	72.4	Confident	75.3	Confident	54 Å²	54	55.2 Å²	55.2	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-36.6	175.6	-164.7	-173.4	22.9	0	0	112.5	N212 F587 R589 A594 K595	N212-Q591 PolarHBondContact OD1-NE2 2.98Å; F587-Q591 WeakPolarHBondContact O-CB 3.01Å; F587-Q591 PolarHBondContact O-N 2.92Å; R589-Q591 VanDerWaalsContact C-N 3.28Å; R589-Q591 PolarHBondContact O-N 3.05Å; Q591-A594 PolarHBondContact O-N 2.98Å; Q591-K595 WeakPolarHBondContact O-CB 3.42Å; Q591-K595 PolarHBondContact O-N 3.37Å
592	K	77.3	Confident	76.8	Confident	106 Å²	106	52.4 Å²	52.4	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-40.5	173	-74.3	168.6	-175	175.2	0	111	D498 A588 R589 K595 T596	D498-K592 IonicContact OD1-NZ 3.64Å; D498-K592 IonicContact OD2-NZ 3.55Å; A588-K592 VanDerWaalsContact O-CG 3.28Å; A588-K592 WeakPolarHBondContact O-CG 3.37Å; A588-K592 PolarHBondContact O-N 3.34Å; R589-K592 WeakPolarHBondContact O-CB 3.46Å; R589-K592 PolarHBondContact O-N 3.48Å; R589-K592 VanDerWaalsContact O-N 3.12Å; K592-K595 PolarHBondContact O-N 3.21Å; K592-T596 PolarHBondContact O-N 3.48Å; K592-T596 VanDerWaalsContact O-N 3.09Å; K592-T596 PolarHBondContact O-OG1 3.12Å
593	A	78.2	Confident	78.5	Confident	23 Å²	23	50.2 Å²	50.2	19%	0.19	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-49.8	173.4	0	0	0	0	0	111.5	R589 E590 K595 T596 L597	R589-A593 PolarHBondContact O-N 2.84Å; E590-A593 PolarHBondContact O-N 2.98Å; A593-K595 VanDerWaalsContact C-N 3.3Å; A593-K595 PolarHBondContact O-N 3.12Å; A593-T596 WeakPolarHBondContact O-CA 3.21Å; A593-T596 VanDerWaalsContact O-CB 3.27Å; A593-T596 WeakPolarHBondContact O-CB 3.41Å; A593-T596 PolarHBondContact O-N 3.04Å; A593-L597 WeakPolarHBondContact O-CG 3.32Å; A593-L597 PolarHBondContact O-N 3.28Å
594	A	81.1	Confident	79.8	Confident	14 Å²	14	47.2 Å²	47.2	12%	0.116	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-37.5	176.7	0	0	0	0	0	112.8	E590 Q591 T596 L597 G598	E590-A594 WeakPolarHBondContact O-CB 3.49Å; E590-A594 PolarHBondContact O-N 2.95Å; Q591-A594 PolarHBondContact O-N 2.98Å; A594-T596 VanDerWaalsContact C-N 3.35Å; A594-L597 PolarHBondContact O-N 3.1Å; A594-G598 PolarHBondContact O-N 3.24Å
595	K	84.6	Confident	81.1	Confident	151 Å²	151	46.2 Å²	46.2	66%	0.657	24%	0.24	S	C	*	.	H	α-helix	trans	-62.3	-41.8	171.2	-175.6	-178	177.4	-172.3	0	111.7	Q591 K592 A593 G598 I599	Q591-K595 WeakPolarHBondContact O-CB 3.42Å; Q591-K595 PolarHBondContact O-N 3.37Å; K592-K595 PolarHBondContact O-N 3.21Å; A593-K595 VanDerWaalsContact C-N 3.3Å; A593-K595 PolarHBondContact O-N 3.12Å; K595-G598 PolarHBondContact O-N 3Å; K595-I599 HydrophobicContact CG-CD1 4.41Å; K595-I599 WeakPolarHBondContact O-CG1 3.42Å; K595-I599 PolarHBondContact O-N 3.14Å
596	T	87.3	Confident	82.3	Confident	9 Å²	9	50 Å²	50	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-43.5	177.7	-54.2	0	0	0	0	111.2	K592 A593 A594 G598 I599 I600 I652 S656 M657	K592-T596 PolarHBondContact O-N 3.48Å; K592-T596 VanDerWaalsContact O-N 3.09Å; K592-T596 PolarHBondContact O-OG1 3.12Å; A593-T596 WeakPolarHBondContact O-CA 3.21Å; A593-T596 VanDerWaalsContact O-CB 3.27Å; A593-T596 WeakPolarHBondContact O-CB 3.41Å; A593-T596 PolarHBondContact O-N 3.04Å; A594-T596 VanDerWaalsContact C-N 3.35Å; T596-G598 VanDerWaalsContact C-N 3.33Å; T596-G598 PolarHBondContact O-N 2.87Å; T596-I599 WeakPolarHBondContact O-CB 3.48Å; T596-I599 PolarHBondContact O-N 3.42Å; T596-I600 HydrophobicContact CG2-CD1 4.33Å; T596-I600 WeakPolarHBondContact O-CG1 3.25Å; T596-I600 PolarHBondContact O-N 3.43Å; T596-I652 HydrophobicContact CG2-CG2 3.65Å; T596-S656 WeakPolarHBondContact OG1-CB 3.18Å; T596-M657 HydrophobicContact CG2-CE 3.91Å; T596-M657 HydrophobicContact CG2-CG 4.02Å
597	L	86.5	Confident	83.7	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-40.4	176	-60.8	172.6	0	0	0	111.4	T57 L61 I117 R121 Y204 A593 A594 I599 I600 M601 M657	T57-L597 HydrophobicContact CG2-CD1 4.15Å; L61-L597 HydrophobicContact CD2-CD2 3.92Å; I117-L597 HydrophobicContact CG2-CB 4.41Å; I117-L597 HydrophobicContact CG2-CD1 3.79Å; I117-L597 HydrophobicContact CG2-CD2 3.95Å; I117-L597 HydrophobicContact CG2-CG 4.25Å; R121-L597 HydrophobicContact CG-CD1 3.63Å; R121-L597 VanDerWaalsContact NE-CD1 3.34Å; Y204-L597 HydrophobicContact CE1-CB 4.31Å; A593-L597 WeakPolarHBondContact O-CG 3.32Å; A593-L597 PolarHBondContact O-N 3.28Å; A594-L597 PolarHBondContact O-N 3.1Å; L597-I599 VanDerWaalsContact C-N 3.27Å; L597-I599 PolarHBondContact O-N 3.39Å; L597-I600 HydrophobicContact CD2-CD1 4.14Å; L597-I600 WeakPolarHBondContact O-CB 3.46Å; L597-I600 PolarHBondContact O-N 2.98Å; L597-M601 WeakPolarHBondContact O-CG 3.41Å; L597-M601 PolarHBondContact O-N 2.9Å; L597-M657 HydrophobicContact CD2-CE 3.8Å; L597-M657 HydrophobicContact CG-CE 4.29Å
598	G	88.6	Confident	84.9	Confident	29 Å²	29	44.5 Å²	44.5	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-26.6	171.5	0	0	0	0	0	114.8	A594 K595 T596 G602	A594-G598 PolarHBondContact O-N 3.24Å; K595-G598 PolarHBondContact O-N 3Å; T596-G598 VanDerWaalsContact C-N 3.33Å; T596-G598 PolarHBondContact O-N 2.87Å; G598-G602 PolarHBondContact O-N 3.43Å; G598-G602 VanDerWaalsContact O-N 3.08Å
599	I	90.8	Very high	86.2	Confident	67 Å²	67	46 Å²	46	34%	0.344	24%	0.237	S	C	.	.	H	α-helix	trans	-73.5	-43.5	172.3	-68.9	164.4	0	0	0	110.5	K595 T596 L597 M601 G602 L603 I652	K595-I599 HydrophobicContact CG-CD1 4.41Å; K595-I599 WeakPolarHBondContact O-CG1 3.42Å; K595-I599 PolarHBondContact O-N 3.14Å; T596-I599 WeakPolarHBondContact O-CB 3.48Å; T596-I599 PolarHBondContact O-N 3.42Å; L597-I599 VanDerWaalsContact C-N 3.27Å; L597-I599 PolarHBondContact O-N 3.39Å; I599-M601 VanDerWaalsContact C-N 3.3Å; I599-M601 PolarHBondContact O-N 3.44Å; I599-G602 PolarHBondContact O-N 3.4Å; I599-L603 HydrophobicContact CG2-CD1 3.76Å; I599-L603 PolarHBondContact O-N 3.04Å; I599-I652 HydrophobicContact CG2-CD1 4.47Å
600	I	90.9	Very high	87.5	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-46	174.7	-65.2	160.6	0	0	0	109.8	L114 T596 L597 G602 L603 F604 I652 Y653	L114-I600 HydrophobicContact CD2-CG2 3.84Å; T596-I600 HydrophobicContact CG2-CD1 4.33Å; T596-I600 WeakPolarHBondContact O-CG1 3.25Å; T596-I600 PolarHBondContact O-N 3.43Å; L597-I600 HydrophobicContact CD2-CD1 4.14Å; L597-I600 WeakPolarHBondContact O-CB 3.46Å; L597-I600 PolarHBondContact O-N 2.98Å; I600-G602 PolarHBondContact O-N 3.37Å; I600-L603 PolarHBondContact O-N 3Å; I600-F604 WeakPolarHBondContact O-CB 3.44Å; I600-F604 PolarHBondContact O-N 2.92Å; I600-I652 HydrophobicContact CB-CD1 4.42Å; I600-I652 HydrophobicContact CD1-CG2 4.18Å; I600-I652 HydrophobicContact CG1-CB 4.28Å; I600-I652 HydrophobicContact CG1-CD1 3.66Å; I600-I652 HydrophobicContact CG1-CG2 3.8Å; I600-Y653 HydrophobicContact CD1-CD1 4.22Å; I600-Y653 HydrophobicContact CD1-CE1 3.51Å
601	M	88.9	Confident	88.6	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-49.7	173.5	-67	-43.7	-47.6	0	0	113	L114 M200 Y204 L597 I599 L603 F604 I605	L114-M601 HydrophobicContact CB-CE 3.87Å; L114-M601 HydrophobicContact CB-SD 3.73Å; L114-M601 HydrophobicContact CD1-CE 3.98Å; L114-M601 HydrophobicContact CD1-SD 4.17Å; L114-M601 HydrophobicContact CD2-SD 3.77Å; L114-M601 HydrophobicContact CG-CE 4.38Å; L114-M601 HydrophobicContact CG-SD 4.09Å; M200-M601 HydrophobicContact CB-CE 4.19Å; M200-M601 HydrophobicContact CE-CE 3.82Å; M200-M601 HydrophobicContact CG-CE 4.22Å; M200-M601 HydrophobicContact SD-CE 3.21Å; M200-M601 WeakPolarHBondContact SD-CE 3.28Å; M200-M601 HydrophobicContact SD-SD 4.34Å; Y204-M601 HydrophobicContact CD2-CG 3.78Å; Y204-M601 HydrophobicContact CE1-CG 4.16Å; Y204-M601 HydrophobicContact CE2-CB 4.5Å; Y204-M601 HydrophobicContact CE2-CG 3.22Å; Y204-M601 HydrophobicContact CE2-SD 3.76Å; Y204-M601 HydrophobicContact CG-CG 4.45Å; Y204-M601 VanDerWaalsContact CZ-CG 3.42Å; L597-M601 WeakPolarHBondContact O-CG 3.41Å; L597-M601 PolarHBondContact O-N 2.9Å; I599-M601 VanDerWaalsContact C-N 3.3Å; I599-M601 PolarHBondContact O-N 3.44Å; M601-L603 VanDerWaalsContact C-N 3.3Å; M601-L603 PolarHBondContact O-N 3.37Å; M601-F604 PolarHBondContact O-N 3.11Å; M601-I605 WeakPolarHBondContact O-CD1 3.26Å; M601-I605 WeakPolarHBondContact O-CG1 3.34Å; M601-I605 PolarHBondContact O-N 3.18Å
602	G	91.1	Very high	89.5	Confident	29 Å²	29	38.6 Å²	38.6	30%	0.299	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-40.4	-177.8	0	0	0	0	0	112.3	G598 I599 I600 I605 L606	G598-G602 PolarHBondContact O-N 3.43Å; G598-G602 VanDerWaalsContact O-N 3.08Å; I599-G602 PolarHBondContact O-N 3.4Å; I600-G602 PolarHBondContact O-N 3.37Å; G602-I605 PolarHBondContact O-N 3.34Å; G602-L606 VanDerWaalsContact O-CG 3.24Å; G602-L606 WeakPolarHBondContact O-CG 3.47Å; G602-L606 PolarHBondContact O-N 3.45Å
603	L	93	Very high	90.4	Very high	53 Å²	53	37.2 Å²	37.2	28%	0.277	21%	0.207	S	C	.	.	H	α-helix	trans	-71.8	-39.7	178.4	-72.2	163.1	0	0	0	112.2	I599 I600 M601 I605 L606 C607 I648 I652	I599-L603 HydrophobicContact CG2-CD1 3.76Å; I599-L603 PolarHBondContact O-N 3.04Å; I600-L603 PolarHBondContact O-N 3Å; M601-L603 VanDerWaalsContact C-N 3.3Å; M601-L603 PolarHBondContact O-N 3.37Å; L603-I605 VanDerWaalsContact C-N 3.3Å; L603-I605 PolarHBondContact O-N 3.23Å; L603-L606 HydrophobicContact CD2-CD1 4.35Å; L603-L606 PolarHBondContact O-N 3.27Å; L603-C607 WeakPolarHBondContact O-CB 3.49Å; L603-C607 PolarHBondContact O-N 3.07Å; L603-I648 HydrophobicContact CD1-CG2 4.05Å; L603-I652 HydrophobicContact CD1-CD1 3.62Å; L603-I652 HydrophobicContact CD1-CG1 4.3Å
604	F	91.2	Very high	91.1	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-54.4	-47.6	170.8	-178.9	-87.8	0	0	0	111.5	I111 L114 F193 I600 M601 C607 W608 N645	I111-F604 HydrophobicContact CD1-CE1 4.28Å; I111-F604 HydrophobicContact CD1-CZ 3.87Å; I111-F604 HydrophobicContact CG1-CE1 3.69Å; I111-F604 HydrophobicContact CG1-CE2 4.14Å; I111-F604 HydrophobicContact CG1-CZ 3.24Å; L114-F604 HydrophobicContact CD1-CB 3.79Å; L114-F604 HydrophobicContact CD1-CD1 3.98Å; L114-F604 HydrophobicContact CD1-CD2 3.56Å; L114-F604 HydrophobicContact CD1-CE2 4.23Å; L114-F604 HydrophobicContact CD1-CG 3.45Å; L114-F604 VanDerWaalsContact CD1-CG 3.45Å; F193-F604 HydrophobicContact CD2-CE1 4.15Å; F193-F604 AromaticContact CE2-CE1 3.84Å; F193-F604 HydrophobicContact CE2-CE1 3.84Å; I600-F604 WeakPolarHBondContact O-CB 3.44Å; I600-F604 PolarHBondContact O-N 2.92Å; M601-F604 PolarHBondContact O-N 3.11Å; F604-C607 PolarHBondContact O-N 3.23Å; F604-W608 AromaticContact CD2-CD1 3.62Å; F604-W608 AromaticContact CD2-NE1 3.94Å; F604-W608 HydrophobicContact CE1-CB 4.24Å; F604-W608 HydrophobicContact CE1-CG 4.23Å; F604-W608 AromaticContact CE2-CD1 3.25Å; F604-W608 AromaticContact CE2-CG 3.98Å; F604-W608 HydrophobicContact CE2-CG 3.98Å; F604-W608 AromaticContact CE2-NE1 3.4Å; F604-W608 HydrophobicContact CZ-CB 4.2Å; F604-W608 AromaticContact CZ-CD1 3.47Å; F604-W608 VanDerWaalsContact CZ-CD1 3.47Å; F604-W608 HydrophobicContact CZ-CD2 4.33Å; F604-W608 AromaticContact CZ-CG 3.73Å; F604-W608 HydrophobicContact CZ-CG 3.73Å; F604-W608 AromaticContact CZ-NE1 3.92Å; F604-W608 WeakPolarHBondContact O-CB 3.22Å; F604-W608 PolarHBondContact O-N 3.01Å; F604-N645 VanDerWaalsContact CA-OD1 3.32Å; F604-N645 WeakPolarHBondContact CA-OD1 3.47Å; F604-N645 PolarHBondContact N-OD1 2.85Å
605	I	92.8	Very high	91.6	Very high	30 Å²	30	36.7 Å²	36.7	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-46.2	178.5	-61.8	165.7	0	0	0	110.8	L197 L201 M601 G602 L603 C607 L609	L197-I605 HydrophobicContact CD1-CB 4.4Å; L197-I605 HydrophobicContact CD1-CD1 3.49Å; L197-I605 VanDerWaalsContact CD1-CD1 3.49Å; L197-I605 HydrophobicContact CD1-CG1 3.52Å; L197-I605 HydrophobicContact CD1-CG2 3.98Å; L201-I605 HydrophobicContact CD2-CD1 3.99Å; M601-I605 WeakPolarHBondContact O-CD1 3.26Å; M601-I605 WeakPolarHBondContact O-CG1 3.34Å; M601-I605 PolarHBondContact O-N 3.18Å; G602-I605 PolarHBondContact O-N 3.34Å; L603-I605 VanDerWaalsContact C-N 3.3Å; L603-I605 PolarHBondContact O-N 3.23Å; I605-C607 VanDerWaalsContact C-N 3.29Å; I605-C607 PolarHBondContact O-N 2.83Å; I605-L609 HydrophobicContact CG2-CB 4.41Å; I605-L609 WeakPolarHBondContact O-CB 3.4Å; I605-L609 PolarHBondContact O-N 3.45Å
606	L	94	Very high	92	Very high	120 Å²	120	30.9 Å²	30.9	63%	0.628	18%	0.176	S	C	*	.	H	α-helix	trans	-62.7	-34.8	179.8	-72.9	166.7	0	0	0	112.9	G602 L603 P610	G602-L606 VanDerWaalsContact O-CG 3.24Å; G602-L606 WeakPolarHBondContact O-CG 3.47Å; G602-L606 PolarHBondContact O-N 3.45Å; L603-L606 HydrophobicContact CD2-CD1 4.35Å; L603-L606 PolarHBondContact O-N 3.27Å; L606-P610 WeakPolarHBondContact O-CD 3.35Å
607	C	94.8	Very high	92.3	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-77.7	-41.5	179	-76.7	0	0	0	0	113.3	L603 F604 I605 L641 N645	L603-C607 WeakPolarHBondContact O-CB 3.49Å; L603-C607 PolarHBondContact O-N 3.07Å; F604-C607 PolarHBondContact O-N 3.23Å; I605-C607 VanDerWaalsContact C-N 3.29Å; I605-C607 PolarHBondContact O-N 2.83Å; C607-L641 HydrophobicContact CB-CG 4.34Å; C607-L641 WeakPolarHBondContact CB-O 3.22Å; C607-N645 HydrophobicContact CB-CB 3.9Å
608	W	93.2	Very high	92.5	Very high	14 Å²	14	34.6 Å²	34.6	5%	0.053	20%	0.195	C	C	.	.	H	α-helix	trans	-93.9	-28.2	-172.8	-77.1	91.3	0	0	0	114.9	F193 F604 P610 F611 F612 G642	F193-W608 HydrophobicContact CD2-CB 4.37Å; F193-W608 HydrophobicContact CE2-CB 3.74Å; F193-W608 HydrophobicContact CZ-CB 4.35Å; F604-W608 AromaticContact CD2-CD1 3.62Å; F604-W608 AromaticContact CD2-NE1 3.94Å; F604-W608 HydrophobicContact CE1-CB 4.24Å; F604-W608 HydrophobicContact CE1-CG 4.23Å; F604-W608 AromaticContact CE2-CD1 3.25Å; F604-W608 AromaticContact CE2-CG 3.98Å; F604-W608 HydrophobicContact CE2-CG 3.98Å; F604-W608 AromaticContact CE2-NE1 3.4Å; F604-W608 HydrophobicContact CZ-CB 4.2Å; F604-W608 AromaticContact CZ-CD1 3.47Å; F604-W608 VanDerWaalsContact CZ-CD1 3.47Å; F604-W608 HydrophobicContact CZ-CD2 4.33Å; F604-W608 AromaticContact CZ-CG 3.73Å; F604-W608 HydrophobicContact CZ-CG 3.73Å; F604-W608 AromaticContact CZ-NE1 3.92Å; F604-W608 WeakPolarHBondContact O-CB 3.22Å; F604-W608 PolarHBondContact O-N 3.01Å; W608-P610 VanDerWaalsContact C-CD 3.45Å; W608-P610 VanDerWaalsContact C-N 3.34Å; W608-F611 HydrophobicContact CE3-CD1 4.03Å; W608-F611 HydrophobicContact CZ3-CD1 4.07Å; W608-F611 HydrophobicContact CZ3-CE1 4.3Å; W608-F611 PolarHBondContact O-N 3.37Å; W608-F611 VanDerWaalsContact O-N 3.15Å; W608-F612 HydrophobicContact CB-CD2 4.24Å; W608-F612 HydrophobicContact CB-CE2 4.14Å; W608-F612 HydrophobicContact CD2-CE2 4.34Å; W608-F612 HydrophobicContact CE3-CD2 4.44Å; W608-F612 AromaticContact CE3-CE2 3.64Å; W608-F612 HydrophobicContact CE3-CE2 3.64Å; W608-F612 HydrophobicContact CE3-CZ 4.25Å; W608-F612 HydrophobicContact CZ3-CE2 4.45Å; W608-F612 VanDerWaalsContact O-CD2 3.31Å; W608-F612 WeakPolarHBondContact O-CD2 3.22Å; W608-F612 PolarHBondContact O-N 3.29Å; W608-G642 PolarHBondContact NE1-O 3.33Å
609	L	94	Very high	92.6	Very high	59 Å²	59	33.8 Å²	33.8	31%	0.309	19%	0.185	S	C	.	.	H	α-helix	trans	-54.4	-41.5	-179.8	176.7	64.7	0	0	0	113.4	F193 Y194 I605 F611 F612 I613	F193-L609 HydrophobicContact CE1-CB 4.23Å; F193-L609 HydrophobicContact CE1-CD1 3.8Å; F193-L609 HydrophobicContact CZ-CB 3.95Å; F193-L609 HydrophobicContact CZ-CD1 4.34Å; Y194-L609 HydrophobicContact CE1-CD1 4.23Å; I605-L609 HydrophobicContact CG2-CB 4.41Å; I605-L609 WeakPolarHBondContact O-CB 3.4Å; I605-L609 PolarHBondContact O-N 3.45Å; L609-F611 VanDerWaalsContact C-N 3.35Å; L609-F611 PolarHBondContact O-N 3.4Å; L609-F612 PolarHBondContact O-N 3.47Å; L609-I613 HydrophobicContact CD1-CD1 3.89Å; L609-I613 HydrophobicContact CD1-CG1 4.06Å; L609-I613 HydrophobicContact CD2-CD1 4.47Å; L609-I613 HydrophobicContact CG-CD1 3.77Å; L609-I613 HydrophobicContact CG-CG1 4.38Å; L609-I613 VanDerWaalsContact O-CG1 3.28Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 3.29Å
610	P	95.8	Very high	92.6	Very high	41 Å²	41	37 Å²	37	27%	0.266	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-37.7	178.4	-24.9	37.1	0	0	0	113.7	L606 W608 I613 C614 V638 L641	L606-P610 WeakPolarHBondContact O-CD 3.35Å; W608-P610 VanDerWaalsContact C-CD 3.45Å; W608-P610 VanDerWaalsContact C-N 3.34Å; P610-I613 PolarHBondContact O-N 3.28Å; P610-C614 PolarHBondContact O-N 3.37Å; P610-C614 PolarHBondContact O-SG 3.39Å; P610-V638 HydrophobicContact CB-CB 3.91Å; P610-V638 HydrophobicContact CB-CG1 3.48Å; P610-V638 VanDerWaalsContact CB-CG1 3.48Å; P610-L641 HydrophobicContact CG-CD2 4.23Å
611	F	93.4	Very high	92.6	Very high	31 Å²	31	41.2 Å²	41.2	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-50	176.3	172.5	-103	0	0	0	111.7	W608 L609 I613 C614 N615 H635 V638 T639	W608-F611 HydrophobicContact CE3-CD1 4.03Å; W608-F611 HydrophobicContact CZ3-CD1 4.07Å; W608-F611 HydrophobicContact CZ3-CE1 4.3Å; W608-F611 PolarHBondContact O-N 3.37Å; W608-F611 VanDerWaalsContact O-N 3.15Å; L609-F611 VanDerWaalsContact C-N 3.35Å; L609-F611 PolarHBondContact O-N 3.4Å; F611-I613 VanDerWaalsContact C-N 3.28Å; F611-I613 PolarHBondContact O-N 3.43Å; F611-C614 WeakPolarHBondContact O-CA 3.38Å; F611-C614 WeakPolarHBondContact O-CB 3.43Å; F611-C614 PolarHBondContact O-N 3.35Å; F611-N615 WeakPolarHBondContact CE1-ND2 3.22Å; F611-N615 WeakPolarHBondContact CZ-ND2 3.33Å; F611-N615 PolarHBondContact O-N 3.04Å; F611-H635 AromaticContact CE2-NE2 3.62Å; F611-V638 HydrophobicContact CB-CB 4.35Å; F611-V638 HydrophobicContact CB-CG2 4.08Å; F611-V638 HydrophobicContact CD2-CG2 4.36Å; F611-T639 WeakPolarHBondContact CD2-OG1 3.44Å; F611-T639 HydrophobicContact CE2-CG2 4.49Å
612	F	92.9	Very high	92.4	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.057	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-32.2	177.9	-72.1	-72.3	0	0	0	112.8	F193 Y194 W608 L609 N615 I616	F193-F612 HydrophobicContact CB-CD1 3.74Å; F193-F612 HydrophobicContact CB-CD2 3.53Å; F193-F612 HydrophobicContact CB-CE1 3.74Å; F193-F612 HydrophobicContact CB-CE2 3.53Å; F193-F612 HydrophobicContact CB-CG 3.65Å; F193-F612 HydrophobicContact CB-CZ 3.65Å; F193-F612 HydrophobicContact CD1-CB 3.75Å; F193-F612 AromaticContact CD1-CD2 3.53Å; F193-F612 HydrophobicContact CD1-CD2 3.53Å; F193-F612 HydrophobicContact CD1-CE2 4.3Å; F193-F612 AromaticContact CD1-CG 3.67Å; F193-F612 HydrophobicContact CD1-CG 3.67Å; F193-F612 AromaticContact CD2-CD2 3.41Å; F193-F612 HydrophobicContact CD2-CD2 3.41Å; F193-F612 VanDerWaalsContact CD2-CD2 3.41Å; F193-F612 AromaticContact CD2-CE2 3.43Å; F193-F612 HydrophobicContact CD2-CE2 3.43Å; F193-F612 VanDerWaalsContact CD2-CE2 3.43Å; F193-F612 HydrophobicContact CD2-CG 4.3Å; F193-F612 HydrophobicContact CD2-CZ 4.32Å; F193-F612 HydrophobicContact CE1-CB 4.18Å; F193-F612 HydrophobicContact CE1-CD2 4Å; F193-F612 HydrophobicContact CE1-CG 4.36Å; F193-F612 AromaticContact CE2-CD2 3.9Å; F193-F612 HydrophobicContact CE2-CD2 3.9Å; F193-F612 HydrophobicContact CE2-CE2 4.16Å; F193-F612 HydrophobicContact CG-CB 4.25Å; F193-F612 HydrophobicContact CG-CD1 4.26Å; F193-F612 AromaticContact CG-CD2 3.2Å; F193-F612 HydrophobicContact CG-CD2 3.2Å; F193-F612 HydrophobicContact CG-CE1 4.49Å; F193-F612 AromaticContact CG-CE2 3.51Å; F193-F612 HydrophobicContact CG-CE2 3.51Å; F193-F612 AromaticContact CG-CG 3.63Å; F193-F612 HydrophobicContact CG-CG 3.63Å; F193-F612 HydrophobicContact CG-CZ 4.17Å; F193-F612 HydrophobicContact CZ-CD2 4.18Å; Y194-F612 HydrophobicContact CE2-CB 4.11Å; Y194-F612 VanDerWaalsContact OH-C 3.25Å; Y194-F612 PolarHBondContact OH-O 3.12Å; W608-F612 HydrophobicContact CB-CD2 4.24Å; W608-F612 HydrophobicContact CB-CE2 4.14Å; W608-F612 HydrophobicContact CD2-CE2 4.34Å; W608-F612 HydrophobicContact CE3-CD2 4.44Å; W608-F612 AromaticContact CE3-CE2 3.64Å; W608-F612 HydrophobicContact CE3-CE2 3.64Å; W608-F612 HydrophobicContact CE3-CZ 4.25Å; W608-F612 HydrophobicContact CZ3-CE2 4.45Å; W608-F612 VanDerWaalsContact O-CD2 3.31Å; W608-F612 WeakPolarHBondContact O-CD2 3.22Å; W608-F612 PolarHBondContact O-N 3.29Å; L609-F612 PolarHBondContact O-N 3.47Å; F612-N615 PolarHBondContact O-N 3.48Å; F612-I616 WeakPolarHBondContact O-CG1 3.42Å; F612-I616 PolarHBondContact O-N 3.5Å; F612-I616 VanDerWaalsContact O-N 3.12Å
613	I	94.4	Very high	92	Very high	77 Å²	77	47.9 Å²	47.9	40%	0.395	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-44.8	169.6	-71.1	167.6	0	0	0	110.7	Y194 L609 P610 F611 N615 I616 L617	Y194-I613 PolarHBondContact OH-N 3.1Å; L609-I613 HydrophobicContact CD1-CD1 3.89Å; L609-I613 HydrophobicContact CD1-CG1 4.06Å; L609-I613 HydrophobicContact CD2-CD1 4.47Å; L609-I613 HydrophobicContact CG-CD1 3.77Å; L609-I613 HydrophobicContact CG-CG1 4.38Å; L609-I613 VanDerWaalsContact O-CG1 3.28Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 3.29Å; P610-I613 PolarHBondContact O-N 3.28Å; F611-I613 VanDerWaalsContact C-N 3.28Å; F611-I613 PolarHBondContact O-N 3.43Å; I613-N615 PolarHBondContact O-N 3.49Å; I613-I616 PolarHBondContact O-N 2.9Å; I613-L617 HydrophobicContact CG2-CD1 4.04Å; I613-L617 HydrophobicContact CG2-CG 4.4Å; I613-L617 WeakPolarHBondContact O-CG 3.38Å; I613-L617 PolarHBondContact O-N 3.03Å
614	C	93.5	Very high	91.7	Very high	13 Å²	13	49.2 Å²	49.2	9%	0.088	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-41.3	177.5	-64.4	0	0	0	0	112.3	P610 F611 I616 L617 I618 F631 V638	P610-C614 PolarHBondContact O-N 3.37Å; P610-C614 PolarHBondContact O-SG 3.39Å; F611-C614 WeakPolarHBondContact O-CA 3.38Å; F611-C614 WeakPolarHBondContact O-CB 3.43Å; F611-C614 PolarHBondContact O-N 3.35Å; C614-I616 VanDerWaalsContact C-N 3.32Å; C614-I616 PolarHBondContact O-N 3.04Å; C614-L617 WeakPolarHBondContact O-CB 3.42Å; C614-L617 PolarHBondContact O-N 3.17Å; C614-L617 VanDerWaalsContact O-N 3.13Å; C614-I618 VanDerWaalsContact O-CG1 3.31Å; C614-I618 WeakPolarHBondContact O-CG1 3.4Å; C614-I618 PolarHBondContact O-N 2.83Å; C614-F631 HydrophobicContact CB-CZ 4.04Å; C614-V638 HydrophobicContact CB-CG2 4.42Å
615	N	91.7	Very high	91.5	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-41	175	-69	-11	0	0	0	112.5	F611 F612 I613 I618 A619	F611-N615 WeakPolarHBondContact CE1-ND2 3.22Å; F611-N615 WeakPolarHBondContact CZ-ND2 3.33Å; F611-N615 PolarHBondContact O-N 3.04Å; F612-N615 PolarHBondContact O-N 3.48Å; I613-N615 PolarHBondContact O-N 3.49Å; N615-I618 PolarHBondContact O-N 2.72Å; N615-A619 WeakPolarHBondContact O-CB 3.35Å; N615-A619 PolarHBondContact O-N 3.39Å
616	I	93	Very high	90.8	Very high	28 Å²	28	52.5 Å²	52.5	14%	0.144	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-38.9	175.3	-65.1	-66.6	0	0	0	111.1	F186 Y194 F612 I613 C614 A619 F620	F186-I616 HydrophobicContact CD2-CD1 3.6Å; F186-I616 HydrophobicContact CE2-CD1 4.13Å; F186-I616 HydrophobicContact CG-CD1 4.35Å; Y194-I616 HydrophobicContact CE2-CD1 4.08Å; Y194-I616 HydrophobicContact CE2-CG1 3.7Å; F612-I616 WeakPolarHBondContact O-CG1 3.42Å; F612-I616 PolarHBondContact O-N 3.5Å; F612-I616 VanDerWaalsContact O-N 3.12Å; I613-I616 PolarHBondContact O-N 2.9Å; C614-I616 VanDerWaalsContact C-N 3.32Å; C614-I616 PolarHBondContact O-N 3.04Å; I616-A619 PolarHBondContact O-N 3.24Å; I616-F620 HydrophobicContact CG2-CD2 3.85Å; I616-F620 HydrophobicContact CG2-CE2 3.6Å; I616-F620 WeakPolarHBondContact O-CD2 3.31Å; I616-F620 PolarHBondContact O-N 3.36Å
617	L	93.4	Very high	90.3	Very high	77 Å²	77	53.1 Å²	53.1	40%	0.403	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-45.2	175.1	-69.1	171.7	0	0	0	111.7	I613 C614 A619 F620 N621 L625 F631	I613-L617 HydrophobicContact CG2-CD1 4.04Å; I613-L617 HydrophobicContact CG2-CG 4.4Å; I613-L617 WeakPolarHBondContact O-CG 3.38Å; I613-L617 PolarHBondContact O-N 3.03Å; C614-L617 WeakPolarHBondContact O-CB 3.42Å; C614-L617 PolarHBondContact O-N 3.17Å; C614-L617 VanDerWaalsContact O-N 3.13Å; L617-A619 VanDerWaalsContact C-N 3.32Å; L617-A619 PolarHBondContact O-N 2.97Å; L617-F620 PolarHBondContact O-N 3.02Å; L617-F620 VanDerWaalsContact O-N 3.16Å; L617-N621 PolarHBondContact O-N 2.97Å; L617-L625 HydrophobicContact CB-CD1 3.78Å; L617-L625 VanDerWaalsContact O-CD1 3.22Å; L617-L625 WeakPolarHBondContact O-CD1 3.41Å; L617-F631 HydrophobicContact CB-CE2 4.44Å; L617-F631 HydrophobicContact CB-CZ 4.38Å; L617-F631 HydrophobicContact CD1-CE2 4.26Å
618	I	91.2	Very high	90	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-44	174.5	-65	162.8	0	0	0	110.3	L185 C614 N615 F620 N621 P622 F631	L185-I618 HydrophobicContact CD1-CB 4.27Å; L185-I618 HydrophobicContact CD1-CG2 3.65Å; C614-I618 VanDerWaalsContact O-CG1 3.31Å; C614-I618 WeakPolarHBondContact O-CG1 3.4Å; C614-I618 PolarHBondContact O-N 2.83Å; N615-I618 PolarHBondContact O-N 2.72Å; I618-F620 PolarHBondContact O-N 3.37Å; I618-N621 CarbonylContact O-C 3.59Å; I618-N621 PolarHBondContact O-N 2.86Å; I618-P622 WeakPolarHBondContact O-CA 3.45Å; I618-P622 WeakPolarHBondContact O-CB 3.46Å; I618-P622 WeakPolarHBondContact O-CD 3.44Å; I618-F631 HydrophobicContact CD1-CE1 3.88Å; I618-F631 HydrophobicContact CD1-CZ 4.29Å; I618-F631 HydrophobicContact CG1-CE1 3.53Å; I618-F631 HydrophobicContact CG1-CZ 3.82Å
619	A	90.6	Very high	89.8	Confident	11 Å²	11	61.1 Å²	61.1	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-61.1	-29.4	177.9	0	0	0	0	0	113.7	S182 L185 F186 N615 I616 L617	S182-A619 WeakPolarHBondContact CB-O 3.01Å; S182-A619 WeakPolarHBondContact O-CB 3.11Å; S182-A619 PolarHBondContact OG-O 3.11Å; S182-A619 VanDerWaalsContact OG-O 3.12Å; L185-A619 HydrophobicContact CB-CB 4.09Å; F186-A619 HydrophobicContact CB-CB 4.27Å; N615-A619 WeakPolarHBondContact O-CB 3.35Å; N615-A619 PolarHBondContact O-N 3.39Å; I616-A619 PolarHBondContact O-N 3.24Å; L617-A619 VanDerWaalsContact C-N 3.32Å; L617-A619 PolarHBondContact O-N 2.97Å
620	F	91.5	Very high	89.6	Confident	136 Å²	136	60.8 Å²	60.8	60%	0.596	33%	0.331	S	S	*	.	H	α-helix	trans	-88.3	-32.1	176.9	-75.2	-62.4	0	0	0	114	F186 I616 L617 I618	F186-F620 HydrophobicContact CD2-CZ 4.49Å; F186-F620 HydrophobicContact CE2-CZ 4.3Å; I616-F620 HydrophobicContact CG2-CD2 3.85Å; I616-F620 HydrophobicContact CG2-CE2 3.6Å; I616-F620 WeakPolarHBondContact O-CD2 3.31Å; I616-F620 PolarHBondContact O-N 3.36Å; L617-F620 PolarHBondContact O-N 3.02Å; L617-F620 VanDerWaalsContact O-N 3.16Å; I618-F620 PolarHBondContact O-N 3.37Å
621	N	89.8	Confident	89.5	Confident	92 Å²	92	60.2 Å²	60.2	49%	0.492	33%	0.325	S	S	.	.	S	Bend	trans	-137.9	60.9	-176.3	-66.3	-66.2	0	0	0	112.3	L617 I618 H623 L625	L617-N621 PolarHBondContact O-N 2.97Å; I618-N621 CarbonylContact O-C 3.59Å; I618-N621 PolarHBondContact O-N 2.86Å; N621-H623 PolarHBondContact O-N 3.33Å; N621-L625 HydrophobicContact CB-CD1 4.12Å; N621-L625 HydrophobicContact CB-CG 4.22Å; N621-L625 WeakPolarHBondContact O-CB 3.47Å; N621-L625 WeakPolarHBondContact O-CG 3.38Å; N621-L625 PolarHBondContact O-N 3.05Å
622	P	84.2	Confident	89.2	Confident	41 Å²	41	62.9 Å²	62.9	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-63	-43.3	-169.8	23.3	-32.7	0	0	0	112.1	I618 S624 N626	I618-P622 WeakPolarHBondContact O-CA 3.45Å; I618-P622 WeakPolarHBondContact O-CB 3.46Å; I618-P622 WeakPolarHBondContact O-CD 3.44Å; P622-S624 PolarHBondContact O-N 3.3Å; P622-N626 VanDerWaalsContact O-CB 3.22Å; P622-N626 WeakPolarHBondContact O-CB 3.48Å; P622-N626 PolarHBondContact O-N 2.85Å
623	H	83.5	Confident	89	Confident	136 Å²	136	67.7 Å²	67.7	63%	0.63	36%	0.359	S	S	*	.	H	α-helix	trans	-64.1	-45.3	-175.2	-167.1	-7.2	0	0	0	112.9	N621 Q627	N621-H623 PolarHBondContact O-N 3.33Å; H623-Q627 PolarHBondContact CE1-NE2 3.01Å; H623-Q627 WeakPolarHBondContact O-CG 3.42Å
624	S	86.1	Confident	89	Confident	81 Å²	81	65.9 Å²	65.9	57%	0.566	36%	0.356	S	S	*	.	H	α-helix	trans	-76.1	-34.3	-176.5	-49.2	0	0	0	0	112.9	P622	P622-S624 PolarHBondContact O-N 3.3Å
625	L	87	Confident	88.9	Confident	33 Å²	33	67.7 Å²	67.7	17%	0.173	36%	0.362	C	S	.	.	H	α-helix	trans	-80.8	-36.7	-177.7	-65.9	177	0	0	0	112.2	L617 N621 Q627 N628 F631	L617-L625 HydrophobicContact CB-CD1 3.78Å; L617-L625 VanDerWaalsContact O-CD1 3.22Å; L617-L625 WeakPolarHBondContact O-CD1 3.41Å; N621-L625 HydrophobicContact CB-CD1 4.12Å; N621-L625 HydrophobicContact CB-CG 4.22Å; N621-L625 WeakPolarHBondContact O-CB 3.47Å; N621-L625 WeakPolarHBondContact O-CG 3.38Å; N621-L625 PolarHBondContact O-N 3.05Å; L625-Q627 PolarHBondContact O-N 3.4Å; L625-N628 PolarHBondContact O-N 3.48Å; L625-F631 HydrophobicContact CB-CD1 3.78Å; L625-F631 HydrophobicContact CB-CE1 3.87Å; L625-F631 HydrophobicContact CB-CG 4.2Å; L625-F631 HydrophobicContact CB-CZ 4.35Å; L625-F631 HydrophobicContact CD1-CE1 4.35Å; L625-F631 HydrophobicContact CD1-CE2 4.2Å; L625-F631 HydrophobicContact CD1-CZ 4.02Å; L625-F631 HydrophobicContact CD2-CD1 4.4Å; L625-F631 HydrophobicContact CD2-CD2 3.83Å; L625-F631 HydrophobicContact CD2-CE2 4.11Å; L625-F631 HydrophobicContact CD2-CG 3.98Å
626	N	78.9	Confident	88.9	Confident	66 Å²	66	69.5 Å²	69.5	35%	0.353	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-19.6	176.1	-70.7	-5.4	0	0	0	113.1	P622 K632	P622-N626 VanDerWaalsContact O-CB 3.22Å; P622-N626 WeakPolarHBondContact O-CB 3.48Å; P622-N626 PolarHBondContact O-N 2.85Å; N626-K632 WeakPolarHBondContact O-CE 3.23Å
627	Q	82.8	Confident	88.9	Confident	134 Å²	134	73.8 Å²	73.8	63%	0.626	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-16.7	173.5	-72.7	-176.1	-27	0	0	113.9	H623 L625 D629	H623-Q627 PolarHBondContact CE1-NE2 3.01Å; H623-Q627 WeakPolarHBondContact O-CG 3.42Å; L625-Q627 PolarHBondContact O-N 3.4Å; Q627-D629 PolarHBondContact O-N 3.29Å
628	N	90.2	Very high	89	Confident	85 Å²	85	71.2 Å²	71.2	46%	0.455	38%	0.382	S	S	.	.			trans	-88.1	106.4	-175.3	-176.5	-30.7	0	0	0	111	L625 G630 F631 K632	L625-N628 PolarHBondContact O-N 3.48Å; N628-G630 VanDerWaalsContact C-N 3.26Å; N628-G630 PolarHBondContact O-N 3.17Å; N628-G630 WeakPolarHBondContact OD1-CA 3.46Å; N628-G630 PolarHBondContact OD1-N 3.2Å; N628-F631 HydrophobicContact CB-CB 3.96Å; N628-F631 WeakPolarHBondContact O-CA 3.41Å; N628-F631 WeakPolarHBondContact O-CB 3.4Å; N628-F631 PolarHBondContact O-N 2.83Å; N628-F631 PolarHBondContact OD1-N 3.46Å; N628-F631 VanDerWaalsContact OD1-N 3.17Å; N628-K632 PolarHBondContact O-N 3.44Å
629	D	87.6	Confident	89.1	Confident	104 Å²	104	71.8 Å²	71.8	56%	0.556	39%	0.386	S	S	*	.	H	α-helix	trans	-59.7	-33.9	-178.6	-63	-36	0	0	0	113.5	Q627 F631 K632 Q633	Q627-D629 PolarHBondContact O-N 3.29Å; D629-F631 VanDerWaalsContact C-N 3.29Å; D629-F631 PolarHBondContact O-N 3.49Å; D629-K632 PolarHBondContact O-N 3.29Å; D629-K632 WeakPolarHBondContact OD1-CE 3.46Å; D629-K632 IonicContact OD1-NZ 3.23Å; D629-K632 PolarHBondContact OD1-NZ 3.45Å; D629-Q633 VanDerWaalsContact O-CG 3.31Å; D629-Q633 WeakPolarHBondContact O-CG 3.27Å; D629-Q633 PolarHBondContact O-N 2.96Å
630	G	91.2	Very high	89.4	Confident	51 Å²	51	71.9 Å²	71.9	53%	0.526	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-36.1	173.2	0	0	0	0	0	112.5	N628 A634	N628-G630 VanDerWaalsContact C-N 3.26Å; N628-G630 PolarHBondContact O-N 3.17Å; N628-G630 WeakPolarHBondContact OD1-CA 3.46Å; N628-G630 PolarHBondContact OD1-N 3.2Å; G630-A634 WeakPolarHBondContact O-CB 3.49Å; G630-A634 PolarHBondContact O-N 3.49Å
631	F	92.3	Very high	89.5	Confident	29 Å²	29	68.6 Å²	68.6	13%	0.127	37%	0.372	C	S	.	.	H	α-helix	trans	-73.2	-40.2	173.8	-173.9	-91.7	0	0	0	112.2	C614 L617 I618 L625 N628 D629 Q633 A634 H635	C614-F631 HydrophobicContact CB-CZ 4.04Å; L617-F631 HydrophobicContact CB-CE2 4.44Å; L617-F631 HydrophobicContact CB-CZ 4.38Å; L617-F631 HydrophobicContact CD1-CE2 4.26Å; I618-F631 HydrophobicContact CD1-CE1 3.88Å; I618-F631 HydrophobicContact CD1-CZ 4.29Å; I618-F631 HydrophobicContact CG1-CE1 3.53Å; I618-F631 HydrophobicContact CG1-CZ 3.82Å; L625-F631 HydrophobicContact CB-CD1 3.78Å; L625-F631 HydrophobicContact CB-CE1 3.87Å; L625-F631 HydrophobicContact CB-CG 4.2Å; L625-F631 HydrophobicContact CB-CZ 4.35Å; L625-F631 HydrophobicContact CD1-CE1 4.35Å; L625-F631 HydrophobicContact CD1-CE2 4.2Å; L625-F631 HydrophobicContact CD1-CZ 4.02Å; L625-F631 HydrophobicContact CD2-CD1 4.4Å; L625-F631 HydrophobicContact CD2-CD2 3.83Å; L625-F631 HydrophobicContact CD2-CE2 4.11Å; L625-F631 HydrophobicContact CD2-CG 3.98Å; N628-F631 HydrophobicContact CB-CB 3.96Å; N628-F631 WeakPolarHBondContact O-CA 3.41Å; N628-F631 WeakPolarHBondContact O-CB 3.4Å; N628-F631 PolarHBondContact O-N 2.83Å; N628-F631 PolarHBondContact OD1-N 3.46Å; N628-F631 VanDerWaalsContact OD1-N 3.17Å; D629-F631 VanDerWaalsContact C-N 3.29Å; D629-F631 PolarHBondContact O-N 3.49Å; F631-Q633 VanDerWaalsContact C-N 3.34Å; F631-Q633 PolarHBondContact O-N 2.96Å; F631-A634 PolarHBondContact O-N 3.22Å; F631-H635 WeakPolarHBondContact O-CB 3.2Å; F631-H635 PolarHBondContact O-N 3.27Å
632	K	88.1	Confident	89.8	Confident	88 Å²	88	64.2 Å²	64.2	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-56.1	-48.2	172.5	-63	176.8	-167.4	160.4	0	111.3	N626 N628 D629 A634 H635 I636	N626-K632 WeakPolarHBondContact O-CE 3.23Å; N628-K632 PolarHBondContact O-N 3.44Å; D629-K632 PolarHBondContact O-N 3.29Å; D629-K632 WeakPolarHBondContact OD1-CE 3.46Å; D629-K632 IonicContact OD1-NZ 3.23Å; D629-K632 PolarHBondContact OD1-NZ 3.45Å; K632-A634 PolarHBondContact O-N 3.01Å; K632-H635 WeakPolarHBondContact O-CB 3.46Å; K632-H635 PolarHBondContact O-N 2.99Å; K632-I636 WeakPolarHBondContact O-CG1 3.42Å; K632-I636 PolarHBondContact O-N 3.48Å
633	Q	89	Confident	90.3	Very high	114 Å²	114	62.6 Å²	62.6	53%	0.533	34%	0.337	S	S	.	.	H	α-helix	trans	-62.7	-42.4	177.4	-68.5	-62.5	-31	0	0	111.6	D629 F631 H635 I636 L637	D629-Q633 VanDerWaalsContact O-CG 3.31Å; D629-Q633 WeakPolarHBondContact O-CG 3.27Å; D629-Q633 PolarHBondContact O-N 2.96Å; F631-Q633 VanDerWaalsContact C-N 3.34Å; F631-Q633 PolarHBondContact O-N 2.96Å; Q633-H635 VanDerWaalsContact C-N 3.35Å; Q633-H635 PolarHBondContact O-N 2.99Å; Q633-I636 PolarHBondContact O-N 3.4Å; Q633-L637 WeakPolarHBondContact O-CB 3.35Å; Q633-L637 VanDerWaalsContact O-CG 3.27Å; Q633-L637 WeakPolarHBondContact O-CG 3.21Å; Q633-L637 PolarHBondContact O-N 3.48Å
634	A	93.1	Very high	90.8	Very high	39 Å²	39	59.2 Å²	59.2	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-42.7	173.3	0	0	0	0	0	112.3	G630 F631 K632 L637 V638	G630-A634 WeakPolarHBondContact O-CB 3.49Å; G630-A634 PolarHBondContact O-N 3.49Å; F631-A634 PolarHBondContact O-N 3.22Å; K632-A634 PolarHBondContact O-N 3.01Å; A634-L637 PolarHBondContact O-N 2.94Å; A634-V638 WeakPolarHBondContact O-CG2 3.43Å; A634-V638 PolarHBondContact O-N 3.17Å
635	H	91.3	Very high	91.2	Very high	50 Å²	50	55.5 Å²	55.5	23%	0.231	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-45.4	177.5	-173.9	-100	0	0	0	112.2	F611 F631 K632 Q633 L637 V638 T639	F611-H635 AromaticContact CE2-NE2 3.62Å; F631-H635 WeakPolarHBondContact O-CB 3.2Å; F631-H635 PolarHBondContact O-N 3.27Å; K632-H635 WeakPolarHBondContact O-CB 3.46Å; K632-H635 PolarHBondContact O-N 2.99Å; Q633-H635 VanDerWaalsContact C-N 3.35Å; Q633-H635 PolarHBondContact O-N 2.99Å; H635-L637 PolarHBondContact O-N 3.31Å; H635-V638 VanDerWaalsContact O-CG2 3.26Å; H635-V638 WeakPolarHBondContact O-CG2 3.5Å; H635-V638 PolarHBondContact O-N 2.94Å; H635-T639 WeakPolarHBondContact O-CB 3.26Å; H635-T639 PolarHBondContact O-N 3.25Å; H635-T639 PolarHBondContact O-OG1 3.32Å
636	I	91.8	Very high	91.6	Very high	51 Å²	51	54 Å²	54	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-47	174.1	-67.9	165.5	0	0	0	110.4	T83 K632 Q633 V638 T639 W640	T83-I636 HydrophobicContact CG2-CG2 3.92Å; K632-I636 WeakPolarHBondContact O-CG1 3.42Å; K632-I636 PolarHBondContact O-N 3.48Å; Q633-I636 PolarHBondContact O-N 3.4Å; I636-V638 PolarHBondContact O-N 3.43Å; I636-T639 WeakPolarHBondContact O-CB 3.26Å; I636-T639 PolarHBondContact O-N 3.05Å; I636-W640 PolarHBondContact O-N 2.94Å
637	L	93.9	Very high	92.4	Very high	119 Å²	119	51.6 Å²	51.6	62%	0.623	28%	0.277	S	S	*	.	H	α-helix	trans	-62.8	-41.9	-179.7	-72.1	170.5	0	0	0	113	Q633 A634 H635 W640 L641	Q633-L637 WeakPolarHBondContact O-CB 3.35Å; Q633-L637 VanDerWaalsContact O-CG 3.27Å; Q633-L637 WeakPolarHBondContact O-CG 3.21Å; Q633-L637 PolarHBondContact O-N 3.48Å; A634-L637 PolarHBondContact O-N 2.94Å; H635-L637 PolarHBondContact O-N 3.31Å; L637-W640 PolarHBondContact O-N 3.19Å; L637-L641 WeakPolarHBondContact O-CB 3.46Å; L637-L641 PolarHBondContact O-N 2.82Å
638	V	95.1	Very high	92.9	Very high	23 Å²	23	47.1 Å²	47.1	14%	0.139	26%	0.257	C	S	.	.	H	α-helix	trans	-72.6	-30	177.5	-60.7	0	0	0	0	112.8	P610 F611 C614 A634 H635 I636 L641 G642	P610-V638 HydrophobicContact CB-CB 3.91Å; P610-V638 HydrophobicContact CB-CG1 3.48Å; P610-V638 VanDerWaalsContact CB-CG1 3.48Å; F611-V638 HydrophobicContact CB-CB 4.35Å; F611-V638 HydrophobicContact CB-CG2 4.08Å; F611-V638 HydrophobicContact CD2-CG2 4.36Å; C614-V638 HydrophobicContact CB-CG2 4.42Å; A634-V638 WeakPolarHBondContact O-CG2 3.43Å; A634-V638 PolarHBondContact O-N 3.17Å; H635-V638 VanDerWaalsContact O-CG2 3.26Å; H635-V638 WeakPolarHBondContact O-CG2 3.5Å; H635-V638 PolarHBondContact O-N 2.94Å; I636-V638 PolarHBondContact O-N 3.43Å; V638-L641 PolarHBondContact O-N 3.01Å; V638-G642 PolarHBondContact O-N 2.71Å
639	T	93.8	Very high	93	Very high	24 Å²	24	43.1 Å²	43.1	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-49.5	171.9	-56	0	0	0	0	110.2	F611 H635 I636 L641 G642 Y643	F611-T639 WeakPolarHBondContact CD2-OG1 3.44Å; F611-T639 HydrophobicContact CE2-CG2 4.49Å; H635-T639 WeakPolarHBondContact O-CB 3.26Å; H635-T639 PolarHBondContact O-N 3.25Å; H635-T639 PolarHBondContact O-OG1 3.32Å; I636-T639 WeakPolarHBondContact O-CB 3.26Å; I636-T639 PolarHBondContact O-N 3.05Å; T639-L641 VanDerWaalsContact C-N 3.32Å; T639-L641 PolarHBondContact O-N 2.95Å; T639-G642 WeakPolarHBondContact O-CA 3.34Å; T639-G642 PolarHBondContact O-N 3.1Å; T639-G642 VanDerWaalsContact O-N 3.09Å; T639-Y643 HydrophobicContact CG2-CD2 4.36Å; T639-Y643 HydrophobicContact CG2-CE1 4.48Å; T639-Y643 HydrophobicContact CG2-CE2 3.68Å; T639-Y643 PolarHBondContact O-N 2.98Å
640	W	95.3	Very high	93.3	Very high	14 Å²	14	38.6 Å²	38.6	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-34.4	175.2	-83.2	107.6	0	0	0	113.6	L28 M76 A79 I80 T83 I636 L637 G642 Y643 I644	L28-W640 HydrophobicContact CB-CH2 4.26Å; L28-W640 HydrophobicContact CB-CZ2 4.5Å; L28-W640 HydrophobicContact CB-CZ3 4.44Å; L28-W640 HydrophobicContact CD1-CD2 4.43Å; L28-W640 HydrophobicContact CD1-CH2 4.31Å; L28-W640 HydrophobicContact CD1-CZ2 3.72Å; L28-W640 HydrophobicContact CD2-CD2 3.48Å; L28-W640 VanDerWaalsContact CD2-CD2 3.48Å; L28-W640 HydrophobicContact CD2-CE3 3.57Å; L28-W640 HydrophobicContact CD2-CG 4.02Å; L28-W640 HydrophobicContact CD2-CH2 4.19Å; L28-W640 HydrophobicContact CD2-CZ2 4.08Å; L28-W640 HydrophobicContact CD2-CZ3 3.93Å; L28-W640 HydrophobicContact CG-CH2 4.48Å; L28-W640 HydrophobicContact CG-CZ2 4.31Å; M76-W640 HydrophobicContact CG-CZ3 4.23Å; A79-W640 HydrophobicContact CB-CH2 4.07Å; A79-W640 HydrophobicContact CB-CZ2 3.88Å; I80-W640 HydrophobicContact CG1-CH2 3.63Å; I80-W640 HydrophobicContact CG1-CZ2 4.05Å; T83-W640 PolarHBondContact OG1-NE1 3.35Å; I636-W640 PolarHBondContact O-N 2.94Å; L637-W640 PolarHBondContact O-N 3.19Å; W640-G642 VanDerWaalsContact C-N 3.32Å; W640-G642 PolarHBondContact O-N 3.47Å; W640-Y643 AromaticContact CD2-CD2 4Å; W640-Y643 HydrophobicContact CD2-CD2 4Å; W640-Y643 AromaticContact CE3-CD2 3.71Å; W640-Y643 HydrophobicContact CE3-CD2 3.71Å; W640-Y643 HydrophobicContact CE3-CG 4.45Å; W640-Y643 HydrophobicContact CH2-CD2 4.25Å; W640-Y643 AromaticContact CZ3-CD2 3.86Å; W640-Y643 HydrophobicContact CZ3-CD2 3.86Å; W640-Y643 PolarHBondContact O-N 3.14Å; W640-I644 WeakPolarHBondContact O-CB 3.28Å; W640-I644 WeakPolarHBondContact O-CD1 3.43Å; W640-I644 VanDerWaalsContact O-CG1 3.23Å; W640-I644 WeakPolarHBondContact O-CG1 3.43Å; W640-I644 PolarHBondContact O-N 3.34Å
641	L	95.4	Very high	93.5	Very high	66 Å²	66	41.5 Å²	41.5	35%	0.346	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-38.9	171.8	-177	66.4	0	0	0	112.1	C607 P610 L637 V638 T639 I644	C607-L641 HydrophobicContact CB-CG 4.34Å; C607-L641 WeakPolarHBondContact CB-O 3.22Å; P610-L641 HydrophobicContact CG-CD2 4.23Å; L637-L641 WeakPolarHBondContact O-CB 3.46Å; L637-L641 PolarHBondContact O-N 2.82Å; V638-L641 PolarHBondContact O-N 3.01Å; T639-L641 VanDerWaalsContact C-N 3.32Å; T639-L641 PolarHBondContact O-N 2.95Å; L641-I644 PolarHBondContact O-N 3.44Å
642	G	94.3	Very high	93.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-48.4	171.2	0	0	0	0	0	112.2	W608 V638 T639 W640 I644 N645	W608-G642 PolarHBondContact NE1-O 3.33Å; V638-G642 PolarHBondContact O-N 2.71Å; T639-G642 WeakPolarHBondContact O-CA 3.34Å; T639-G642 PolarHBondContact O-N 3.1Å; T639-G642 VanDerWaalsContact O-N 3.09Å; W640-G642 VanDerWaalsContact C-N 3.32Å; W640-G642 PolarHBondContact O-N 3.47Å; G642-I644 PolarHBondContact O-N 2.95Å; G642-N645 WeakPolarHBondContact O-CB 3.35Å; G642-N645 PolarHBondContact O-N 2.99Å
643	Y	95.7	Very high	93.7	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-39.2	177.2	-63	-28.6	0	0	0	113.4	V71 V75 M76 A79 D103 T639 W640 N645 S646	V71-Y643 HydrophobicContact CG1-CD1 4.11Å; V75-Y643 HydrophobicContact CG1-CD1 4.48Å; V75-Y643 HydrophobicContact CG1-CE1 3.66Å; V75-Y643 HydrophobicContact CG1-CE2 4.44Å; M76-Y643 VanDerWaalsContact CE-O 3.22Å; M76-Y643 WeakPolarHBondContact CE-O 3.14Å; A79-Y643 HydrophobicContact CB-CE2 3.81Å; D103-Y643 WeakPolarHBondContact OD1-CE1 3.28Å; D103-Y643 PolarHBondContact OD2-OH 2.96Å; T639-Y643 HydrophobicContact CG2-CD2 4.36Å; T639-Y643 HydrophobicContact CG2-CE1 4.48Å; T639-Y643 HydrophobicContact CG2-CE2 3.68Å; T639-Y643 PolarHBondContact O-N 2.98Å; W640-Y643 AromaticContact CD2-CD2 4Å; W640-Y643 HydrophobicContact CD2-CD2 4Å; W640-Y643 AromaticContact CE3-CD2 3.71Å; W640-Y643 HydrophobicContact CE3-CD2 3.71Å; W640-Y643 HydrophobicContact CE3-CG 4.45Å; W640-Y643 HydrophobicContact CH2-CD2 4.25Å; W640-Y643 AromaticContact CZ3-CD2 3.86Å; W640-Y643 HydrophobicContact CZ3-CD2 3.86Å; W640-Y643 PolarHBondContact O-N 3.14Å; Y643-N645 PolarHBondContact O-N 3.3Å; Y643-N645 VanDerWaalsContact O-N 3.15Å; Y643-S646 WeakPolarHBondContact O-CB 3.46Å; Y643-S646 PolarHBondContact O-N 2.92Å; Y643-S646 VanDerWaalsContact O-N 3.07Å; Y643-S646 PolarHBondContact O-OG 2.87Å
644	I	94.1	Very high	93.9	Very high	64 Å²	64	32.9 Å²	32.9	33%	0.328	18%	0.183	S	C	.	.	H	α-helix	trans	-60.7	-22.7	177.8	-74.6	164.9	0	0	0	112.5	W640 L641 G642 S646 C647 I648	W640-I644 WeakPolarHBondContact O-CB 3.28Å; W640-I644 WeakPolarHBondContact O-CD1 3.43Å; W640-I644 VanDerWaalsContact O-CG1 3.23Å; W640-I644 WeakPolarHBondContact O-CG1 3.43Å; W640-I644 PolarHBondContact O-N 3.34Å; L641-I644 PolarHBondContact O-N 3.44Å; G642-I644 PolarHBondContact O-N 2.95Å; I644-S646 PolarHBondContact O-N 3.2Å; I644-S646 VanDerWaalsContact O-N 3.16Å; I644-C647 VanDerWaalsContact O-CB 3.26Å; I644-C647 WeakPolarHBondContact O-CB 3.3Å; I644-C647 PolarHBondContact O-N 3.34Å; I644-I648 HydrophobicContact CG2-CD1 4.19Å; I644-I648 HydrophobicContact CG2-CG1 4.48Å; I644-I648 PolarHBondContact O-N 3.23Å
645	N	94.3	Very high	93.7	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-53.6	-35.1	172.5	-178.6	78.4	0	0	0	112.7	F604 C607 G642 Y643 C647 I648 N649	F604-N645 VanDerWaalsContact CA-OD1 3.32Å; F604-N645 WeakPolarHBondContact CA-OD1 3.47Å; F604-N645 PolarHBondContact N-OD1 2.85Å; C607-N645 HydrophobicContact CB-CB 3.9Å; G642-N645 WeakPolarHBondContact O-CB 3.35Å; G642-N645 PolarHBondContact O-N 2.99Å; Y643-N645 PolarHBondContact O-N 3.3Å; Y643-N645 VanDerWaalsContact O-N 3.15Å; N645-C647 VanDerWaalsContact C-N 3.3Å; N645-C647 PolarHBondContact O-N 3.11Å; N645-I648 WeakPolarHBondContact O-CB 3.39Å; N645-I648 PolarHBondContact O-N 3.49Å; N645-N649 PolarHBondContact O-N 2.93Å
646	S	95.7	Very high	93.4	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-29.7	179	-49.9	0	0	0	0	112.9	N39 Y643 I644 P650	N39-S646 PolarHBondContact ND2-O 3.34Å; Y643-S646 WeakPolarHBondContact O-CB 3.46Å; Y643-S646 PolarHBondContact O-N 2.92Å; Y643-S646 VanDerWaalsContact O-N 3.07Å; Y643-S646 PolarHBondContact O-OG 2.87Å; I644-S646 PolarHBondContact O-N 3.2Å; I644-S646 VanDerWaalsContact O-N 3.16Å; S646-P650 WeakPolarHBondContact O-CD 2.9Å
647	C	94.4	Very high	93.2	Very high	14 Å²	14	36 Å²	36	10%	0.095	19%	0.194	C	C	.	.	H	α-helix	trans	-68.6	-36.7	170.9	-55.3	0	0	0	0	112.2	A31 T35 I644 N645	A31-C647 PolarHBondContact O-SG 2.93Å; T35-C647 PolarHBondContact OG1-SG 2.82Å; I644-C647 VanDerWaalsContact O-CB 3.26Å; I644-C647 WeakPolarHBondContact O-CB 3.3Å; I644-C647 PolarHBondContact O-N 3.34Å; N645-C647 VanDerWaalsContact C-N 3.3Å; N645-C647 PolarHBondContact O-N 3.11Å
648	I	94.5	Very high	92.7	Very high	40 Å²	40	34.1 Å²	34.1	21%	0.205	18%	0.182	C	C	.	.	H	α-helix	trans	-73.1	-33.7	-168.4	-68.1	172.6	0	0	0	111.2	L603 I644 N645 I651 I652	L603-I648 HydrophobicContact CD1-CG2 4.05Å; I644-I648 HydrophobicContact CG2-CD1 4.19Å; I644-I648 HydrophobicContact CG2-CG1 4.48Å; I644-I648 PolarHBondContact O-N 3.23Å; N645-I648 WeakPolarHBondContact O-CB 3.39Å; N645-I648 PolarHBondContact O-N 3.49Å; I648-I651 WeakPolarHBondContact O-CB 3.41Å; I648-I651 PolarHBondContact O-N 3.27Å; I648-I651 VanDerWaalsContact O-N 3.11Å; I648-I652 HydrophobicContact CG2-CD1 3.63Å; I648-I652 HydrophobicContact CG2-CG1 3.94Å; I648-I652 WeakPolarHBondContact O-CG1 3.47Å; I648-I652 PolarHBondContact O-N 2.94Å
649	N	92.7	Very high	92.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-53.9	-57	-177.4	-78	-22	0	0	0	113.5	D68 N645 I651 I652 Y653	D68-N649 PolarHBondContact OD2-ND2 3.37Å; N645-N649 PolarHBondContact O-N 2.93Å; N649-I651 VanDerWaalsContact C-N 3.28Å; N649-I651 PolarHBondContact O-N 3.45Å; N649-I652 PolarHBondContact O-N 3.41Å; N649-Y653 HydrophobicContact CB-CE2 4.03Å; N649-Y653 WeakPolarHBondContact O-CD2 3.25Å; N649-Y653 WeakPolarHBondContact O-CE2 3.44Å; N649-Y653 VanDerWaalsContact O-CG 3.32Å; N649-Y653 PolarHBondContact O-N 2.82Å
650	P	94.3	Very high	92	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.058	18%	0.181	C	C	.	.	H	α-helix	trans	-52.1	-39.1	172.8	-30.2	36	0	0	0	115	G38 N39 V42 S646 Y653 A654	G38-P650 WeakPolarHBondContact O-CG 3.29Å; N39-P650 WeakPolarHBondContact OD1-CG 3.4Å; V42-P650 HydrophobicContact CG2-CB 4.44Å; V42-P650 HydrophobicContact CG2-CG 4.3Å; S646-P650 WeakPolarHBondContact O-CD 2.9Å; P650-Y653 PolarHBondContact O-N 3.35Å; P650-A654 WeakPolarHBondContact O-CB 3.31Å; P650-A654 PolarHBondContact O-N 3.27Å
651	I	93.7	Very high	91.8	Very high	112 Å²	112	39 Å²	39	57%	0.574	20%	0.198	S	C	*	.	H	α-helix	trans	-66.6	-43.9	-179.7	-58.9	172.4	0	0	0	110.2	I648 N649 Y653 A654 H655	I648-I651 WeakPolarHBondContact O-CB 3.41Å; I648-I651 PolarHBondContact O-N 3.27Å; I648-I651 VanDerWaalsContact O-N 3.11Å; N649-I651 VanDerWaalsContact C-N 3.28Å; N649-I651 PolarHBondContact O-N 3.45Å; I651-Y653 PolarHBondContact O-N 3.4Å; I651-A654 PolarHBondContact O-N 3.5Å; I651-H655 PolarHBondContact O-N 3.22Å
652	I	93.5	Very high	91.5	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-43.7	175.4	-61.3	166.6	0	0	0	110.7	T596 I599 I600 L603 I648 N649 H655 S656	T596-I652 HydrophobicContact CG2-CG2 3.65Å; I599-I652 HydrophobicContact CG2-CD1 4.47Å; I600-I652 HydrophobicContact CB-CD1 4.42Å; I600-I652 HydrophobicContact CD1-CG2 4.18Å; I600-I652 HydrophobicContact CG1-CB 4.28Å; I600-I652 HydrophobicContact CG1-CD1 3.66Å; I600-I652 HydrophobicContact CG1-CG2 3.8Å; L603-I652 HydrophobicContact CD1-CD1 3.62Å; L603-I652 HydrophobicContact CD1-CG1 4.3Å; I648-I652 HydrophobicContact CG2-CD1 3.63Å; I648-I652 HydrophobicContact CG2-CG1 3.94Å; I648-I652 WeakPolarHBondContact O-CG1 3.47Å; I648-I652 PolarHBondContact O-N 2.94Å; N649-I652 PolarHBondContact O-N 3.41Å; I652-H655 PolarHBondContact O-N 3.01Å; I652-S656 VanDerWaalsContact O-CB 3.23Å; I652-S656 WeakPolarHBondContact O-CB 3.27Å; I652-S656 PolarHBondContact O-N 3.22Å; I652-S656 PolarHBondContact O-OG 3.4Å
653	Y	92.5	Very high	91.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-45.7	177.3	-55.8	-40.6	0	0	0	111.5	V42 L61 I600 N649 P650 I651 H655 M657	V42-Y653 HydrophobicContact CG2-CD2 3.66Å; V42-Y653 HydrophobicContact CG2-CE2 4.05Å; L61-Y653 HydrophobicContact CD1-CE1 4.2Å; L61-Y653 HydrophobicContact CD2-CE1 3.78Å; L61-Y653 HydrophobicContact CG-CE1 4.42Å; I600-Y653 HydrophobicContact CD1-CD1 4.22Å; I600-Y653 HydrophobicContact CD1-CE1 3.51Å; N649-Y653 HydrophobicContact CB-CE2 4.03Å; N649-Y653 WeakPolarHBondContact O-CD2 3.25Å; N649-Y653 WeakPolarHBondContact O-CE2 3.44Å; N649-Y653 VanDerWaalsContact O-CG 3.32Å; N649-Y653 PolarHBondContact O-N 2.82Å; P650-Y653 PolarHBondContact O-N 3.35Å; I651-Y653 PolarHBondContact O-N 3.4Å; Y653-H655 PolarHBondContact O-N 3.02Å; Y653-M657 HydrophobicContact CD1-CG 4.49Å; Y653-M657 HydrophobicContact CD1-SD 4.07Å; Y653-M657 WeakPolarHBondContact O-CA 3.27Å; Y653-M657 WeakPolarHBondContact O-CB 3.27Å; Y653-M657 PolarHBondContact O-N 3.12Å
654	A	91.8	Very high	91.1	Very high	36 Å²	36	40.9 Å²	40.9	30%	0.298	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-40.4	178.1	0	0	0	0	0	112.7	P650 I651 R661 F664	P650-A654 WeakPolarHBondContact O-CB 3.31Å; P650-A654 PolarHBondContact O-N 3.27Å; I651-A654 PolarHBondContact O-N 3.5Å; A654-R661 WeakPolarHBondContact O-CB 3.37Å; A654-R661 WeakPolarHBondContact O-CD 3.4Å; A654-R661 VanDerWaalsContact O-CG 3.28Å; A654-R661 WeakPolarHBondContact O-CG 3.07Å; A654-F664 HydrophobicContact CB-CD2 3.78Å; A654-F664 HydrophobicContact CB-CE2 3.92Å
655	H	90.1	Very high	90.8	Very high	142 Å²	142	44.4 Å²	44.4	66%	0.657	21%	0.214	S	C	*	.	H	α-helix	trans	-75.7	-53.4	179.2	-175	89.3	0	0	0	112.3	I651 I652 Y653 R661	I651-H655 PolarHBondContact O-N 3.22Å; I652-H655 PolarHBondContact O-N 3.01Å; Y653-H655 PolarHBondContact O-N 3.02Å; H655-R661 PolarHBondContact O-NH1 3.44Å
656	S	84	Confident	90.4	Very high	45 Å²	45	50.2 Å²	50.2	32%	0.315	24%	0.235	S	C	.	.	H	α-helix	trans	-96.3	-33.3	-161.6	-54.8	0	0	0	0	113.7	T596 I652 H658	T596-S656 WeakPolarHBondContact OG1-CB 3.18Å; I652-S656 VanDerWaalsContact O-CB 3.23Å; I652-S656 WeakPolarHBondContact O-CB 3.27Å; I652-S656 PolarHBondContact O-N 3.22Å; I652-S656 PolarHBondContact O-OG 3.4Å; S656-H658 PolarHBondContact O-N 3.46Å
657	M	87.3	Confident	90	Very high	19 Å²	19	51.4 Å²	51.4	9%	0.094	24%	0.241	C	C	.	.			trans	-95.6	101.7	-178.7	-64.3	-157.3	172.6	0	0	111.1	L61 T596 L597 Y653 E659 F660 R661	L61-M657 HydrophobicContact CD1-CE 3.9Å; L61-M657 HydrophobicContact CD1-SD 3.74Å; T596-M657 HydrophobicContact CG2-CE 3.91Å; T596-M657 HydrophobicContact CG2-CG 4.02Å; L597-M657 HydrophobicContact CD2-CE 3.8Å; L597-M657 HydrophobicContact CG-CE 4.29Å; Y653-M657 HydrophobicContact CD1-CG 4.49Å; Y653-M657 HydrophobicContact CD1-SD 4.07Å; Y653-M657 WeakPolarHBondContact O-CA 3.27Å; Y653-M657 WeakPolarHBondContact O-CB 3.27Å; Y653-M657 PolarHBondContact O-N 3.12Å; M657-E659 PolarHBondContact O-N 2.92Å; M657-E659 VanDerWaalsContact O-N 3.12Å; M657-F660 HydrophobicContact CB-CB 4.23Å; M657-F660 HydrophobicContact CB-CD2 3.91Å; M657-F660 HydrophobicContact CG-CD2 4.49Å; M657-F660 PolarHBondContact O-N 3.42Å; M657-F660 HydrophobicContact SD-CD2 3.84Å; M657-F660 HydrophobicContact SD-CE2 4.06Å; M657-R661 WeakPolarHBondContact O-CB 3.36Å; M657-R661 PolarHBondContact O-N 2.7Å
658	H	84.8	Confident	89.7	Confident	78 Å²	78	56.4 Å²	56.4	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-55.3	-30.5	179.1	171.7	-97.5	0	0	0	114.1	S656 R662	S656-H658 PolarHBondContact O-N 3.46Å; H658-R662 PolarHBondContact CE1-NE 3Å; H658-R662 PolarHBondContact CE1-NH2 3.38Å; H658-R662 PolarHBondContact NE2-NE 3.01Å; H658-R662 PolarHBondContact NE2-NH2 2.81Å; H658-R662 WeakPolarHBondContact O-CG 3.44Å; H658-R662 PolarHBondContact O-N 2.78Å
659	E	85.2	Confident	89	Confident	58 Å²	58	57.8 Å²	57.8	27%	0.271	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-55.4	175.7	-56.7	-166	130.9	0	0	111.1	Y51 M52 N55 M657 R661 R662 A663	Y51-E659 HydrophobicContact CE2-CB 4.21Å; Y51-E659 PolarHBondContact OH-O 3.42Å; M52-E659 HydrophobicContact CE-CB 4.03Å; M52-E659 HydrophobicContact SD-CB 3.62Å; N55-E659 PolarHBondContact ND2-OE2 3.25Å; M657-E659 PolarHBondContact O-N 2.92Å; M657-E659 VanDerWaalsContact O-N 3.12Å; E659-R661 PolarHBondContact O-N 3.4Å; E659-R662 PolarHBondContact O-N 3.25Å; E659-A663 PolarHBondContact O-N 2.95Å
660	F	88.9	Confident	87.6	Confident	1 Å²	1	60.9 Å²	60.9	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-43.9	174.3	-78.2	-79.1	0	0	0	112.1	V42 A45 M52 L61 M657 R662 A663 F664	V42-F660 HydrophobicContact CG1-CE1 3.9Å; V42-F660 HydrophobicContact CG1-CZ 4.43Å; A45-F660 HydrophobicContact CB-CD1 4.44Å; M52-F660 HydrophobicContact CE-CB 4.21Å; M52-F660 HydrophobicContact CE-CD1 3.48Å; M52-F660 VanDerWaalsContact CE-CD1 3.48Å; M52-F660 HydrophobicContact CE-CD2 3.72Å; M52-F660 HydrophobicContact CE-CE1 3.6Å; M52-F660 HydrophobicContact CE-CE2 3.83Å; M52-F660 HydrophobicContact CE-CG 3.54Å; M52-F660 HydrophobicContact CE-CZ 3.78Å; L61-F660 HydrophobicContact CB-CZ 4.48Å; L61-F660 HydrophobicContact CD1-CE2 3.75Å; L61-F660 HydrophobicContact CD1-CZ 4.29Å; M657-F660 HydrophobicContact CB-CB 4.23Å; M657-F660 HydrophobicContact CB-CD2 3.91Å; M657-F660 HydrophobicContact CG-CD2 4.49Å; M657-F660 PolarHBondContact O-N 3.42Å; M657-F660 HydrophobicContact SD-CD2 3.84Å; M657-F660 HydrophobicContact SD-CE2 4.06Å; F660-R662 VanDerWaalsContact C-N 3.29Å; F660-R662 PolarHBondContact O-N 3.08Å; F660-A663 CarbonylContact O-C 3.58Å; F660-A663 WeakPolarHBondContact O-CB 3.36Å; F660-A663 PolarHBondContact O-N 3.21Å; F660-A663 VanDerWaalsContact O-N 3.07Å; F660-F664 HydrophobicContact CB-CE2 4.23Å; F660-F664 HydrophobicContact CB-CZ 4.19Å; F660-F664 AromaticContact CD1-CE1 3.97Å; F660-F664 HydrophobicContact CD1-CE1 3.97Å; F660-F664 AromaticContact CD1-CZ 3.91Å; F660-F664 HydrophobicContact CD1-CZ 3.91Å; F660-F664 HydrophobicContact CG-CZ 4.46Å; F660-F664 WeakPolarHBondContact O-CB 3.35Å; F660-F664 VanDerWaalsContact O-CG 3.28Å; F660-F664 WeakPolarHBondContact O-CG 3.33Å; F660-F664 PolarHBondContact O-N 3.21Å
661	R	90.6	Very high	85.9	Confident	106 Å²	106	66.1 Å²	66.1	40%	0.4	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-37.6	176.2	-168	172.6	66.3	-155.7	8.3	113.3	A654 H655 M657 E659 K665	A654-R661 WeakPolarHBondContact O-CB 3.37Å; A654-R661 WeakPolarHBondContact O-CD 3.4Å; A654-R661 VanDerWaalsContact O-CG 3.28Å; A654-R661 WeakPolarHBondContact O-CG 3.07Å; H655-R661 PolarHBondContact O-NH1 3.44Å; M657-R661 WeakPolarHBondContact O-CB 3.36Å; M657-R661 PolarHBondContact O-N 2.7Å; E659-R661 PolarHBondContact O-N 3.4Å; R661-K665 WeakPolarHBondContact O-CB 3.07Å; R661-K665 WeakPolarHBondContact O-CG 3.5Å; R661-K665 PolarHBondContact O-N 2.94Å; R661-K665 VanDerWaalsContact O-N 3.11Å
662	R	88.6	Confident	84.2	Confident	95 Å²	95	69.4 Å²	69.4	36%	0.358	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-43.2	174	-80.4	-172.7	178.4	-161.8	0.7	111.3	H658 E659 F660 R666	H658-R662 PolarHBondContact CE1-NE 3Å; H658-R662 PolarHBondContact CE1-NH2 3.38Å; H658-R662 PolarHBondContact NE2-NE 3.01Å; H658-R662 PolarHBondContact NE2-NH2 2.81Å; H658-R662 WeakPolarHBondContact O-CG 3.44Å; H658-R662 PolarHBondContact O-N 2.78Å; E659-R662 PolarHBondContact O-N 3.25Å; F660-R662 VanDerWaalsContact C-N 3.29Å; F660-R662 PolarHBondContact O-N 3.08Å; R662-R666 WeakPolarHBondContact O-CG 3.18Å; R662-R666 PolarHBondContact O-N 3.48Å; R662-R666 VanDerWaalsContact O-N 3.08Å
663	A	89.5	Confident	82.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-50	176.7	0	0	0	0	0	111.8	A45 E49 M52 E659 F660 K665 R666 L667	A45-A663 HydrophobicContact CB-CB 3.75Å; E49-A663 HydrophobicContact CG-CB 4.01Å; M52-A663 HydrophobicContact CE-CB 4.39Å; E659-A663 PolarHBondContact O-N 2.95Å; F660-A663 CarbonylContact O-C 3.58Å; F660-A663 WeakPolarHBondContact O-CB 3.36Å; F660-A663 PolarHBondContact O-N 3.21Å; F660-A663 VanDerWaalsContact O-N 3.07Å; A663-K665 PolarHBondContact O-N 2.7Å; A663-R666 CarbonylContact O-C 3.58Å; A663-R666 WeakPolarHBondContact O-CA 3.4Å; A663-R666 WeakPolarHBondContact O-CB 3.46Å; A663-R666 PolarHBondContact O-N 3Å; A663-L667 WeakPolarHBondContact O-CG 3.47Å; A663-L667 PolarHBondContact O-N 3.49Å
664	F	91.8	Very high	81.2	Confident	18 Å²	18	81.5 Å²	81.5	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-60	-42.8	177.7	-63.5	-12.9	0	0	0	112.2	L41 V42 A45 A654 F660 R666 L667 L668	L41-F664 HydrophobicContact CB-CD1 4.44Å; L41-F664 HydrophobicContact CB-CE1 4.17Å; L41-F664 WeakPolarHBondContact O-CE1 3.33Å; V42-F664 HydrophobicContact CG2-CE1 4.45Å; V42-F664 HydrophobicContact CG2-CZ 3.84Å; A45-F664 HydrophobicContact CB-CD1 4.14Å; A45-F664 HydrophobicContact CB-CE1 3.91Å; A654-F664 HydrophobicContact CB-CD2 3.78Å; A654-F664 HydrophobicContact CB-CE2 3.92Å; F660-F664 HydrophobicContact CB-CE2 4.23Å; F660-F664 HydrophobicContact CB-CZ 4.19Å; F660-F664 AromaticContact CD1-CE1 3.97Å; F660-F664 HydrophobicContact CD1-CE1 3.97Å; F660-F664 AromaticContact CD1-CZ 3.91Å; F660-F664 HydrophobicContact CD1-CZ 3.91Å; F660-F664 HydrophobicContact CG-CZ 4.46Å; F660-F664 WeakPolarHBondContact O-CB 3.35Å; F660-F664 VanDerWaalsContact O-CG 3.28Å; F660-F664 WeakPolarHBondContact O-CG 3.33Å; F660-F664 PolarHBondContact O-N 3.21Å; F664-R666 VanDerWaalsContact C-N 3.29Å; F664-R666 PolarHBondContact O-N 3.45Å; F664-L667 PolarHBondContact O-N 3.41Å; F664-L668 WeakPolarHBondContact O-CB 3.27Å; F664-L668 WeakPolarHBondContact O-CG 3.28Å; F664-L668 PolarHBondContact O-N 3.38Å
665	K	89.1	Confident	79.8	Confident	138 Å²	138	87 Å²	87	60%	0.6	38%	0.38	S	S	*	.	H	α-helix	trans	-59.6	-38.9	172.4	-78.2	-171.3	175.3	-155.1	0	112.4	R661 A663 C669	R661-K665 WeakPolarHBondContact O-CB 3.07Å; R661-K665 WeakPolarHBondContact O-CG 3.5Å; R661-K665 PolarHBondContact O-N 2.94Å; R661-K665 VanDerWaalsContact O-N 3.11Å; A663-K665 PolarHBondContact O-N 2.7Å; K665-C669 WeakPolarHBondContact O-CB 3.24Å; K665-C669 PolarHBondContact O-N 2.7Å; K665-C669 PolarHBondContact O-SG 2.89Å; K665-C669 VanDerWaalsContact O-SG 3.37Å
666	R	86.3	Confident	78.4	Confident	124 Å²	124	85.2 Å²	85.2	47%	0.468	37%	0.37	S	S	.	.	H	α-helix	trans	-69.2	-35.1	175.3	-72.1	169.1	175	-173.2	-4.1	112.9	E49 R662 A663 F664 F670	E49-R666 VanDerWaalsContact CD-NH1 3.35Å; E49-R666 WeakPolarHBondContact OE1-CD 3.46Å; E49-R666 IonicContact OE1-CZ 3.64Å; E49-R666 IonicContact OE1-NE 2.76Å; E49-R666 IonicContact OE1-NH1 2.71Å; E49-R666 PolarHBondContact OE1-NH1 3.45Å; E49-R666 IonicContact OE2-NH1 3.74Å; E49-R666 PolarHBondContact OE2-NH1 3.28Å; R662-R666 WeakPolarHBondContact O-CG 3.18Å; R662-R666 PolarHBondContact O-N 3.48Å; R662-R666 VanDerWaalsContact O-N 3.08Å; A663-R666 CarbonylContact O-C 3.58Å; A663-R666 WeakPolarHBondContact O-CA 3.4Å; A663-R666 WeakPolarHBondContact O-CB 3.46Å; A663-R666 PolarHBondContact O-N 3Å; F664-R666 VanDerWaalsContact C-N 3.29Å; F664-R666 PolarHBondContact O-N 3.45Å; R666-F670 WeakPolarHBondContact O-CA 3.27Å; R666-F670 VanDerWaalsContact O-CB 3.22Å; R666-F670 WeakPolarHBondContact O-CB 3.29Å; R666-F670 WeakPolarHBondContact O-CD2 3.35Å; R666-F670 PolarHBondContact O-N 3.01Å
667	L	86.8	Confident	77.4	Confident	28 Å²	28	86.5 Å²	86.5	15%	0.147	37%	0.371	C	S	.	.	H	α-helix	trans	-72.3	-53.7	177.6	-67.9	178.2	0	0	0	111.7	L41 I44 A45 R48 A663 F664 F670	L41-L667 HydrophobicContact CD2-CB 4.46Å; L41-L667 HydrophobicContact CD2-CD1 4.16Å; I44-L667 HydrophobicContact CB-CD1 4.36Å; I44-L667 HydrophobicContact CG2-CD1 3.91Å; I44-L667 HydrophobicContact CG2-CD2 3.81Å; A45-L667 HydrophobicContact CB-CD1 4.03Å; R48-L667 VanDerWaalsContact CD-CD2 3.47Å; A663-L667 WeakPolarHBondContact O-CG 3.47Å; A663-L667 PolarHBondContact O-N 3.49Å; F664-L667 PolarHBondContact O-N 3.41Å; L667-F670 VanDerWaalsContact O-CB 3.22Å; L667-F670 WeakPolarHBondContact O-CB 3.37Å; L667-F670 PolarHBondContact O-N 2.76Å
668	L	86.8	Confident	76.4	Confident	120 Å²	120	89 Å²	89	63%	0.628	38%	0.384	S	S	*	.	H	α-helix	trans	-72.4	-39.2	-175.3	-62.1	173.4	0	0	0	112	L41 F664 F670	L41-L668 HydrophobicContact CD1-CD2 4.16Å; L41-L668 HydrophobicContact CD2-CD2 4.11Å; F664-L668 WeakPolarHBondContact O-CB 3.27Å; F664-L668 WeakPolarHBondContact O-CG 3.28Å; F664-L668 PolarHBondContact O-N 3.38Å; L668-F670 PolarHBondContact O-N 2.91Å
669	C	81	Confident	75.4	Confident	68 Å²	68	91.6 Å²	91.6	46%	0.459	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	12.8	173.6	-50.3	0	0	0	0	112.8	K665 H671 W672 W673	K665-C669 WeakPolarHBondContact O-CB 3.24Å; K665-C669 PolarHBondContact O-N 2.7Å; K665-C669 PolarHBondContact O-SG 2.89Å; K665-C669 VanDerWaalsContact O-SG 3.37Å; C669-H671 VanDerWaalsContact C-N 3.29Å; C669-H671 PolarHBondContact O-N 3.47Å; C669-W672 PolarHBondContact O-N 2.97Å; C669-W673 PolarHBondContact O-N 3.07Å
670	F	63.8	Low	74.3	Confident	67 Å²	67	93.6 Å²	93.6	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-62.5	-37	-172.7	-157.8	-115.8	0	0	0	112.4	R666 L667 L668 W672 W673 Y674	R666-F670 WeakPolarHBondContact O-CA 3.27Å; R666-F670 VanDerWaalsContact O-CB 3.22Å; R666-F670 WeakPolarHBondContact O-CB 3.29Å; R666-F670 WeakPolarHBondContact O-CD2 3.35Å; R666-F670 PolarHBondContact O-N 3.01Å; L667-F670 VanDerWaalsContact O-CB 3.22Å; L667-F670 WeakPolarHBondContact O-CB 3.37Å; L667-F670 PolarHBondContact O-N 2.76Å; L668-F670 PolarHBondContact O-N 2.91Å; F670-W672 VanDerWaalsContact C-N 3.35Å; F670-W672 PolarHBondContact O-N 3.22Å; F670-W673 AromaticContact CD2-CE3 3.94Å; F670-W673 HydrophobicContact CD2-CE3 3.94Å; F670-W673 HydrophobicContact CD2-CZ3 4.47Å; F670-W673 HydrophobicContact CE2-CD2 4.37Å; F670-W673 AromaticContact CE2-CE3 3.33Å; F670-W673 HydrophobicContact CE2-CE3 3.33Å; F670-W673 AromaticContact CE2-CZ3 3.46Å; F670-W673 HydrophobicContact CE2-CZ3 3.46Å; F670-W673 VanDerWaalsContact CE2-CZ3 3.46Å; F670-W673 HydrophobicContact CZ-CE3 4Å; F670-W673 AromaticContact CZ-CZ3 3.88Å; F670-W673 HydrophobicContact CZ-CZ3 3.88Å; F670-W673 PolarHBondContact O-N 3.33Å; F670-Y674 WeakPolarHBondContact O-CB 3.41Å; F670-Y674 PolarHBondContact O-N 3.2Å
671	H	58	Low	72.9	Confident	120 Å²	120	102.3 Å²	102.3	56%	0.556	44%	0.442	S	S	*	.	H	α-helix	trans	-59.5	-42.9	173.1	-179.4	-130.3	0	0	0	112.3	C669 R675	C669-H671 VanDerWaalsContact C-N 3.29Å; C669-H671 PolarHBondContact O-N 3.47Å; H671-R675 PolarHBondContact CE1-NE 2.8Å; H671-R675 VanDerWaalsContact CE1-NE 3.29Å; H671-R675 PolarHBondContact CE1-NH2 3.15Å; H671-R675 VanDerWaalsContact CE1-NH2 3.35Å; H671-R675 PolarHBondContact NE2-NE 3.29Å; H671-R675 PolarHBondContact NE2-NH2 3.31Å; H671-R675 WeakPolarHBondContact O-CG 3.37Å; H671-R675 PolarHBondContact O-N 3.29Å; H671-R675 VanDerWaalsContact O-N 3.08Å
672	W	57.3	Low	71.3	Confident	181 Å²	181	104.8 Å²	104.8	69%	0.686	46%	0.455	S	S	*	.	H	α-helix	trans	-72.9	-38.9	179.4	-147	86	0	0	0	112.2	C669 F670 K676	C669-W672 PolarHBondContact O-N 2.97Å; F670-W672 VanDerWaalsContact C-N 3.35Å; F670-W672 PolarHBondContact O-N 3.22Å; W672-K676 HydrophobicContact CE3-CD 4.49Å; W672-K676 HydrophobicContact CZ3-CD 3.97Å; W672-K676 WeakPolarHBondContact O-CB 3.2Å; W672-K676 PolarHBondContact O-N 2.89Å
673	W	60.1	Low	69.8	Low	135 Å²	135	104 Å²	104	51%	0.511	46%	0.464	S	S	.	.	H	α-helix	trans	-69.4	-39.1	176.4	-176.7	85.1	0	0	0	112.4	C669 F670 K676 Q677	C669-W673 PolarHBondContact O-N 3.07Å; F670-W673 AromaticContact CD2-CE3 3.94Å; F670-W673 HydrophobicContact CD2-CE3 3.94Å; F670-W673 HydrophobicContact CD2-CZ3 4.47Å; F670-W673 HydrophobicContact CE2-CD2 4.37Å; F670-W673 AromaticContact CE2-CE3 3.33Å; F670-W673 HydrophobicContact CE2-CE3 3.33Å; F670-W673 AromaticContact CE2-CZ3 3.46Å; F670-W673 HydrophobicContact CE2-CZ3 3.46Å; F670-W673 VanDerWaalsContact CE2-CZ3 3.46Å; F670-W673 HydrophobicContact CZ-CE3 4Å; F670-W673 AromaticContact CZ-CZ3 3.88Å; F670-W673 HydrophobicContact CZ-CZ3 3.88Å; F670-W673 PolarHBondContact O-N 3.33Å; W673-K676 PolarHBondContact O-N 3.07Å; W673-Q677 HydrophobicContact CD2-CG 3.97Å; W673-Q677 HydrophobicContact CE3-CG 4Å; W673-Q677 HydrophobicContact CH2-CG 3.94Å; W673-Q677 HydrophobicContact CZ2-CG 3.89Å; W673-Q677 HydrophobicContact CZ3-CG 3.98Å; W673-Q677 WeakPolarHBondContact O-CB 3.37Å; W673-Q677 WeakPolarHBondContact O-CG 3.47Å; W673-Q677 PolarHBondContact O-N 2.96Å
674	Y	62.5	Low	68.2	Low	133 Å²	133	107.8 Å²	107.8	52%	0.522	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-47	175.4	-174.5	-110.3	0	0	0	111.3	F670 K676 Q677 I678	F670-Y674 WeakPolarHBondContact O-CB 3.41Å; F670-Y674 PolarHBondContact O-N 3.2Å; Y674-K676 VanDerWaalsContact C-N 3.31Å; Y674-K676 PolarHBondContact O-N 2.03Å; Y674-Q677 PolarHBondContact O-N 3.25Å; Y674-I678 HydrophobicContact CD1-CD1 3.83Å; Y674-I678 HydrophobicContact CE1-CD1 3.44Å; Y674-I678 VanDerWaalsContact CE1-CD1 3.44Å; Y674-I678 HydrophobicContact CE2-CD1 4.29Å; Y674-I678 HydrophobicContact CG-CD1 4.42Å; Y674-I678 WeakPolarHBondContact O-CG1 3.26Å; Y674-I678 PolarHBondContact O-N 2.94Å
675	R	62.8	Low	66.3	Low	152 Å²	152	111.5 Å²	111.5	57%	0.574	51%	0.511	S	S	*	.	H	α-helix	trans	-56.2	-43.9	171.3	-75.4	-173.2	-174.7	-136.7	1	112	H671 I678 Q679	H671-R675 PolarHBondContact CE1-NE 2.8Å; H671-R675 VanDerWaalsContact CE1-NE 3.29Å; H671-R675 PolarHBondContact CE1-NH2 3.15Å; H671-R675 VanDerWaalsContact CE1-NH2 3.35Å; H671-R675 PolarHBondContact NE2-NE 3.29Å; H671-R675 PolarHBondContact NE2-NH2 3.31Å; H671-R675 WeakPolarHBondContact O-CG 3.37Å; H671-R675 PolarHBondContact O-N 3.29Å; H671-R675 VanDerWaalsContact O-N 3.08Å; R675-I678 PolarHBondContact O-N 3.27Å; R675-Q679 WeakPolarHBondContact O-CG 3.5Å; R675-Q679 PolarHBondContact O-N 2.61Å
676	K	60.9	Low	64.2	Low	104 Å²	104	112.1 Å²	112.1	45%	0.452	52%	0.515	S	S	.	.	H	α-helix	trans	-68.1	-36.8	179.1	-167.1	168.7	-175.8	171.4	0	113.4	W672 W673 Y674 Q679 L680	W672-K676 HydrophobicContact CE3-CD 4.49Å; W672-K676 HydrophobicContact CZ3-CD 3.97Å; W672-K676 WeakPolarHBondContact O-CB 3.2Å; W672-K676 PolarHBondContact O-N 2.89Å; W673-K676 PolarHBondContact O-N 3.07Å; Y674-K676 VanDerWaalsContact C-N 3.31Å; Y674-K676 PolarHBondContact O-N 2.03Å; K676-Q679 PolarHBondContact O-N 3.33Å; K676-L680 HydrophobicContact CG-CD1 4.23Å; K676-L680 WeakPolarHBondContact O-CB 3.3Å; K676-L680 VanDerWaalsContact O-CG 3.31Å; K676-L680 WeakPolarHBondContact O-CG 3.34Å; K676-L680 PolarHBondContact O-N 3.36Å
677	Q	62.4	Low	62.7	Low	72 Å²	72	110 Å²	110	34%	0.336	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-43.7	172.1	-82.5	-85.3	-4.6	0	0	111.8	W673 Y674 L680 R681	W673-Q677 HydrophobicContact CD2-CG 3.97Å; W673-Q677 HydrophobicContact CE3-CG 4Å; W673-Q677 HydrophobicContact CH2-CG 3.94Å; W673-Q677 HydrophobicContact CZ2-CG 3.89Å; W673-Q677 HydrophobicContact CZ3-CG 3.98Å; W673-Q677 WeakPolarHBondContact O-CB 3.37Å; W673-Q677 WeakPolarHBondContact O-CG 3.47Å; W673-Q677 PolarHBondContact O-N 2.96Å; Y674-Q677 PolarHBondContact O-N 3.25Å; Q677-L680 PolarHBondContact O-N 3.15Å; Q677-R681 PolarHBondContact O-N 3.3Å
678	I	66.4	Low	61	Low	71 Å²	71	112.6 Å²	112.6	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-44.4	176.9	-71	170.4	0	0	0	111.1	Y674 R675 R681 K682	Y674-I678 HydrophobicContact CD1-CD1 3.83Å; Y674-I678 HydrophobicContact CE1-CD1 3.44Å; Y674-I678 VanDerWaalsContact CE1-CD1 3.44Å; Y674-I678 HydrophobicContact CE2-CD1 4.29Å; Y674-I678 HydrophobicContact CG-CD1 4.42Å; Y674-I678 WeakPolarHBondContact O-CG1 3.26Å; Y674-I678 PolarHBondContact O-N 2.94Å; R675-I678 PolarHBondContact O-N 3.27Å; I678-R681 PolarHBondContact O-N 2.92Å; I678-K682 PolarHBondContact O-N 3.47Å
679	Q	65.3	Low	59	Low	133 Å²	133	116.5 Å²	116.5	62%	0.621	54%	0.542	S	S	*	.	H	α-helix	trans	-60.2	-45.8	175.7	-75.5	176.3	-26.7	0	0	112	R675 K676 R681 K682 S683	R675-Q679 WeakPolarHBondContact O-CG 3.5Å; R675-Q679 PolarHBondContact O-N 2.61Å; K676-Q679 PolarHBondContact O-N 3.33Å; Q679-R681 PolarHBondContact O-N 2.93Å; Q679-K682 PolarHBondContact O-N 3.35Å; Q679-S683 PolarHBondContact O-N 2.93Å
680	L	62.5	Low	57.2	Low	100 Å²	100	117 Å²	117	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-40	178.8	-74.1	166	0	0	0	112.7	K676 Q677 K682 S683 T684	K676-L680 HydrophobicContact CG-CD1 4.23Å; K676-L680 WeakPolarHBondContact O-CB 3.3Å; K676-L680 VanDerWaalsContact O-CG 3.31Å; K676-L680 WeakPolarHBondContact O-CG 3.34Å; K676-L680 PolarHBondContact O-N 3.36Å; Q677-L680 PolarHBondContact O-N 3.15Å; L680-K682 VanDerWaalsContact C-N 3.34Å; L680-K682 PolarHBondContact O-N 3.03Å; L680-S683 PolarHBondContact O-N 3.19Å; L680-T684 PolarHBondContact O-N 3.22Å; L680-T684 VanDerWaalsContact O-N 3.07Å; L680-T684 PolarHBondContact O-OG1 2.83Å
681	R	58.6	Low	56.6	Low	184 Å²	184	119.3 Å²	119.3	69%	0.694	56%	0.56	S	S	*	*	H	α-helix	trans	-60.1	-41.5	175.3	-80.8	-176.6	171.8	-172	-4.8	112.4	Q677 I678 Q679 S683 T684 T685	Q677-R681 PolarHBondContact O-N 3.3Å; I678-R681 PolarHBondContact O-N 2.92Å; Q679-R681 PolarHBondContact O-N 2.93Å; R681-S683 PolarHBondContact O-N 3.49Å; R681-T684 WeakPolarHBondContact CA-OG1 3.43Å; R681-T684 PolarHBondContact O-N 3.29Å; R681-T684 PolarHBondContact O-OG1 3.32Å; R681-T685 PolarHBondContact O-N 2.71Å; R681-T685 PolarHBondContact O-OG1 3.08Å
682	K	57.2	Low	56.1	Low	158 Å²	158	117.2 Å²	117.2	69%	0.687	56%	0.559	S	S	*	*	H	α-helix	trans	-64.7	-36.4	177	-70.2	-172	176.2	-167.2	0	112.7	I678 Q679 L680 T685	I678-K682 PolarHBondContact O-N 3.47Å; Q679-K682 PolarHBondContact O-N 3.35Å; L680-K682 VanDerWaalsContact C-N 3.34Å; L680-K682 PolarHBondContact O-N 3.03Å; K682-T685 PolarHBondContact O-OG1 2.99Å
683	S	56.7	Low	55.7	Low	77 Å²	77	116 Å²	116	54%	0.538	56%	0.561	S	S	.	*	H	α-helix	trans	-71.6	-36.5	175.5	-61.7	0	0	0	0	113.4	Q679 L680 R681 T685 F686 T687	Q679-S683 PolarHBondContact O-N 2.93Å; L680-S683 PolarHBondContact O-N 3.19Å; R681-S683 PolarHBondContact O-N 3.49Å; S683-T685 VanDerWaalsContact C-N 3.31Å; S683-T685 PolarHBondContact O-N 3.07Å; S683-F686 WeakPolarHBondContact O-CB 3.49Å; S683-F686 PolarHBondContact O-N 3.31Å; S683-F686 VanDerWaalsContact O-N 3.12Å; S683-T687 PolarHBondContact O-N 3.46Å
684	T	55.7	Low	54.9	Low	81 Å²	81	119.3 Å²	119.3	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-65.1	-32.3	179.3	42	0	0	0	0	113.7	L680 R681 F686 T687 S688	L680-T684 PolarHBondContact O-N 3.22Å; L680-T684 VanDerWaalsContact O-N 3.07Å; L680-T684 PolarHBondContact O-OG1 2.83Å; R681-T684 WeakPolarHBondContact CA-OG1 3.43Å; R681-T684 PolarHBondContact O-N 3.29Å; R681-T684 PolarHBondContact O-OG1 3.32Å; T684-F686 VanDerWaalsContact C-N 3.25Å; T684-F686 PolarHBondContact O-N 2.89Å; T684-T687 PolarHBondContact O-N 3.47Å; T684-T687 PolarHBondContact O-OG1 2.85Å; T684-S688 PolarHBondContact O-N 2.95Å
685	T	52.1	Low	54.1	Low	95 Å²	95	119.1 Å²	119.1	58%	0.583	58%	0.58	S	S	*	*	H	α-helix	trans	-66.1	-23.6	173.7	29.5	0	0	0	0	113.9	R681 K682 S683	R681-T685 PolarHBondContact O-N 2.71Å; R681-T685 PolarHBondContact O-OG1 3.08Å; K682-T685 PolarHBondContact O-OG1 2.99Å; S683-T685 VanDerWaalsContact C-N 3.31Å; S683-T685 PolarHBondContact O-N 3.07Å
686	F	45.8	Very low	53.5	Low	152 Å²	152	117.7 Å²	117.7	67%	0.667	59%	0.588	S	S	*	*	H	α-helix	trans	-78.4	-43	176.7	-167.1	-100.5	0	0	0	111.4	S683 T684 S688 R689	S683-F686 WeakPolarHBondContact O-CB 3.49Å; S683-F686 PolarHBondContact O-N 3.31Å; S683-F686 VanDerWaalsContact O-N 3.12Å; T684-F686 VanDerWaalsContact C-N 3.25Å; T684-F686 PolarHBondContact O-N 2.89Å; F686-S688 PolarHBondContact O-N 3.47Å; F686-R689 PolarHBondContact O-N 3.34Å
687	T	54.1	Low	52.8	Low	79 Å²	79	117.2 Å²	117.2	49%	0.485	60%	0.598	S	S	.	*	H	α-helix	trans	-68.1	-34	-179	40.9	0	0	0	0	114.1	S683 T684 R689 C690 L691	S683-T687 PolarHBondContact O-N 3.46Å; T684-T687 PolarHBondContact O-N 3.47Å; T684-T687 PolarHBondContact O-OG1 2.85Å; T687-R689 VanDerWaalsContact C-N 3.31Å; T687-R689 PolarHBondContact O-N 3.38Å; T687-C690 PolarHBondContact O-N 2.91Å; T687-L691 PolarHBondContact O-N 3.31Å
688	S	50.3	Low	52	Low	82 Å²	82	121.5 Å²	121.5	57%	0.573	62%	0.618	S	S	*	*	H	α-helix	trans	-65	-30.8	176.3	-75.5	0	0	0	0	113.4	T684 F686 L691 S692	T684-S688 PolarHBondContact O-N 2.95Å; F686-S688 PolarHBondContact O-N 3.47Å; S688-L691 PolarHBondContact O-N 2.93Å; S688-S692 PolarHBondContact O-N 3.27Å
689	R	45.4	Very low	50.7	Low	203 Å²	203	126.8 Å²	126.8	77%	0.766	64%	0.641	S	S	*	*	H	α-helix	trans	-69.3	-31.2	175.6	-78	-175.6	176.3	172.1	-0.9	113.1	F686 T687 S692	F686-R689 PolarHBondContact O-N 3.34Å; T687-R689 VanDerWaalsContact C-N 3.31Å; T687-R689 PolarHBondContact O-N 3.38Å; R689-S692 PolarHBondContact O-OG 3.08Å
690	C	44.5	Very low	49.6	Very low	79 Å²	79	130 Å²	130	53%	0.534	66%	0.656	S	S	.	*	H	α-helix	trans	-77	-29.4	176.5	-64	0	0	0	0	113	T687	T687-C690 PolarHBondContact O-N 2.91Å
691	L	49.3	Very low	48.5	Very low	114 Å²	114	132.9 Å²	132.9	60%	0.597	67%	0.666	S	S	*	*	H	α-helix	trans	-76.4	-37.8	179.4	-94.1	151	0	0	0	113	T687 S688 H693 R694	T687-L691 PolarHBondContact O-N 3.31Å; S688-L691 PolarHBondContact O-N 2.93Å; L691-H693 PolarHBondContact O-N 3.4Å; L691-R694 PolarHBondContact O-N 3.26Å
692	S	49.3	Very low	47.6	Very low	76 Å²	76	129.9 Å²	129.9	53%	0.531	67%	0.67	S	S	.	*	H	α-helix	trans	-62.3	-30.4	175.2	57.5	0	0	0	0	112.8	S688 R689 R694	S688-S692 PolarHBondContact O-N 3.27Å; R689-S692 PolarHBondContact O-OG 3.08Å; S692-R694 VanDerWaalsContact C-N 3.31Å; S692-R694 PolarHBondContact O-N 2.78Å
693	H	48.2	Very low	46.6	Very low	157 Å²	157	128.9 Å²	128.9	73%	0.727	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-9.4	-177.7	-128.3	-60.4	0	0	0	114.9	L691	L691-H693 PolarHBondContact O-N 3.4Å
694	R	43.4	Very low	45.8	Very low	204 Å²	204	134.3 Å²	134.3	77%	0.77	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-9.5	-177	-165.3	176	-77	-155.5	-3.6	113.5	L691 S692	L691-R694 PolarHBondContact O-N 3.26Å; S692-R694 VanDerWaalsContact C-N 3.31Å; S692-R694 PolarHBondContact O-N 2.78Å
695	I	46.2	Very low	44.8	Very low	129 Å²	129	137.5 Å²	137.5	66%	0.662	70%	0.703	S	S	*	*	S	Bend	trans	-89.3	-18	-177.7	-65.6	171.7	0	0	0	111.8	S697	I695-S697 PolarHBondContact O-N 3.03Å
696	T	49.7	Very low	44.3	Very low	122 Å²	122	141.4 Å²	141.4	75%	0.748	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-0.1	-176.5	46.9	0	0	0	0	115.4
697	S	47	Very low	43.9	Very low	93 Å²	93	141 Å²	141	65%	0.65	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	18.5	-172.7	80	0	0	0	0	115.5	I695	I695-S697 PolarHBondContact O-N 3.03Å
698	Q	44.3	Very low	42.9	Very low	163 Å²	163	144.2 Å²	144.2	76%	0.762	72%	0.723	S	S	*	*			trans	-134.8	63.6	-177.6	-69.9	-167.1	-21	0	0	113.2
699	H	39.6	Very low	42	Very low	182 Å²	182	150.3 Å²	150.3	84%	0.843	73%	0.734	S	S	*	*			trans	-140.1	82.6	165.6	-91.5	-65.4	0	0	0	111.6
700	H	42.3	Very low	41.4	Very low	201 Å²	201	148.3 Å²	148.3	93%	0.931	73%	0.733	S	S	*	*			trans	-148.7	127.9	153.3	-96	-65.4	0	0	0	110.1
701	H	39.3	Very low	41	Very low	160 Å²	160	153.3 Å²	153.3	74%	0.741	75%	0.748	S	S	*	*			trans	-111.1	158.5	173.2	-126.9	-58.9	0	0	0	107.5
702	P	40	Very low	40.2	Very low	121 Å²	121	156.3 Å²	156.3	79%	0.786	76%	0.758	S	S	*	*				-144.9	-175	89.4	34	-14.5	0	0	0	114.9
703	N	34.9	Very low	39.6	Very low	136 Å²	136	161.6 Å²	161.6	73%	0.727	77%	0.774	S	S	*	*			trans	-80.2	157.1	-176.7	-68.1	-44.1	0	0	0	113.5
704	H	41.6	Very low	38.9	Very low	192 Å²	192	161.8 Å²	161.8	89%	0.889	78%	0.775	S	S	*	*				-166	147.3	120.3	-112.3	-82.7	0	0	0	112.3
705	N	34.6	Very low	38.3	Very low	148 Å²	148	162.5 Å²	162.5	79%	0.791	78%	0.78	S	S	*	*			trans	-91.1	137.2	176.5	-74.2	-43.7	0	0	0	111.3
706	H	40.3	Very low	37.5	Very low	177 Å²	177	167 Å²	167	82%	0.819	79%	0.788	S	S	*	*				-171.2	144.6	126.5	-105.4	-31.1	0	0	0	116
707	H	36.9	Very low	36.9	Very low	144 Å²	144	168.9 Å²	168.9	67%	0.667	79%	0.788	S	S	*	*			trans	17.4	135.7	152.4	-85.2	-71.7	0	0	0	125.2
708	H	35	Very low	36.5	Very low	145 Å²	145	172.7 Å²	172.7	67%	0.671	80%	0.795	S	S	*	*			trans	88.7	119.7	133.1	-82.7	-51.8	0	0	0	123.6
709	R	31.1	Very low	35.9	Very low	210 Å²	210	173 Å²	173	79%	0.792	80%	0.796	S	S	*	*			trans	71	131.7	141.5	-73.3	-171	175.5	165.7	2.3	120.2
710	H	31.8	Very low	35.5	Very low	161 Å²	161	171.6 Å²	171.6	75%	0.745	80%	0.796	S	S	*	*			trans	22.9	121.1	145.7	-59.1	-85.2	0	0	0	118.4
711	H	36.5	Very low	34.9	Very low	184 Å²	184	168.8 Å²	168.8	85%	0.852	80%	0.797	S	S	*	*				-164.1	145.3	102	-110.2	-87.3	0	0	0	111.4
712	H	31.7	Very low	34.3	Very low	177 Å²	177	169.6 Å²	169.6	82%	0.819	80%	0.801	S	S	*	*			trans	-68.2	130.8	159.9	-94.6	-105	0	0	0	108.3
713	H	36.8	Very low	34	Very low	187 Å²	187	171.8 Å²	171.8	87%	0.866	80%	0.8	S	S	*	*			trans	-158.1	148.4	141.7	-117.1	-81.7	0	0	0	113.1
714	H	33.5	Very low	33.9	Very low	162 Å²	162	173.4 Å²	173.4	75%	0.75	80%	0.804	S	S	*	*			trans	-64.2	146	175.1	-96.8	-102.2	0	0	0	112.5
715	Y	31.7	Very low	33.2	Very low	219 Å²	219	168.7 Å²	168.7	86%	0.859	79%	0.792	S	S	*	*			trans	-134.8	120.6	144.8	-104.5	-85.1	0	0	0	111.4
716	R	28.4	Very low	33	Very low	223 Å²	223	169.2 Å²	169.2	84%	0.842	80%	0.795	S	S	*	*			trans	-90.6	140.1	159	-81.1	177.9	172.6	162.7	-3	107.2
717	H	37.7	Very low	32.4	Very low	161 Å²	161	167.9 Å²	167.9	75%	0.745	79%	0.794	S	S	*	*			trans	-156.9	96	150	-109.5	-80.7	0	0	0	110.2
718	H	37.4	Very low	32	Very low	173 Å²	173	169.2 Å²	169.2	80%	0.801	80%	0.8	S	S	*	*				171.2	115.6	116.9	-102.4	-80.8	0	0	0	110.5
719	Q	31.9	Very low	31.6	Very low	169 Å²	169	170.3 Å²	170.3	79%	0.79	81%	0.81	S	S	*	*			trans	-89	142	165.3	-65.5	159.4	-81.5	0	0	108.7
720	N	32.4	Very low	31.3	Very low	154 Å²	154	165.2 Å²	165.2	82%	0.824	81%	0.806	S	S	*	*				164.8	113.6	119.3	-86	-9.3	0	0	0	110.8
721	C	29.7	Very low	31	Very low	142 Å²	142	167.5 Å²	167.5	96%	0.959	81%	0.813	S	S	*	*			trans	170.5	97.8	146.1	-96.2	0	0	0	0	107.2
722	Q	27.3	Very low	30.6	Very low	176 Å²	176	169.5 Å²	169.5	82%	0.822	82%	0.815	S	S	*	*			trans	-110.9	164.2	170.1	-93.1	-179.8	-85.5	0	0	109.8
723	H	33.6	Very low	30.4	Very low	167 Å²	167	170.3 Å²	170.3	77%	0.773	82%	0.816	S	S	*	*			trans	73.8	141.5	-173.8	-53	-81.8	0	0	0	113.8
724	Q	31.5	Very low	29.9	Very low	171 Å²	171	169.8 Å²	169.8	80%	0.799	81%	0.811	S	S	*	*			cis	-141.6	172.2	8.1	-146.9	144.9	-25.5	0	0	111.8
725	S	27.3	Very low	29.6	Very low	92 Å²	92	171 Å²	171	64%	0.643	82%	0.818	S	S	*	*			trans	-61.4	146.4	177.4	48	0	0	0	0	113.1
726	D	31.3	Very low	29.6	Very low	160 Å²	160	165.4 Å²	165.4	86%	0.856	81%	0.806	S	S	*	*				-171	157.5	114.6	-89.8	-12.2	0	0	0	112.8
727	D	27.5	Very low	29.6	Very low	149 Å²	149	161 Å²	161	80%	0.797	80%	0.804	S	S	*	*			trans	-77.9	169.4	-173	-114	-47.6	0	0	0	113.4
728	H	28.1	Very low	29.1	Very low	171 Å²	171	163 Å²	163	79%	0.792	81%	0.806	S	S	*	*			trans	72.5	76.9	171.4	-57	-86.4	0	0	0	119.8
729	L	27.3	Very low	28.6	Very low	168 Å²	168	162.3 Å²	162.3	88%	0.88	80%	0.803	S	S	*	*			trans	-161.5	159.2	131.1	-134.2	62.3	0	0	0	116.4
730	C	25	Very low	28.4	Very low	104 Å²	104	162.7 Å²	162.7	70%	0.703	81%	0.807	S	S	*	*			trans	64.5	66.9	157.1	-75.6	0	0	0	0	120.1	Y732	C730-Y732 VanDerWaalsContact C-N 3.26Å; C730-Y732 PolarHBondContact O-N 2.84Å
731	K	25.4	Very low	28.4	Very low	209 Å²	209	163.1 Å²	163.1	91%	0.909	80%	0.804	S	S	*	*			trans	-73.2	63.9	160	-163.9	176.5	-168.3	165	0	113.2
732	Y	27.4	Very low	28.3	Very low	226 Å²	226	164.4 Å²	164.4	89%	0.886	80%	0.796	S	S	*	*			trans	-131.2	110.5	168.2	-88.3	-81.9	0	0	0	111.2	C730	C730-Y732 VanDerWaalsContact C-N 3.26Å; C730-Y732 PolarHBondContact O-N 2.84Å
733	K	26.8	Very low	28.4	Very low	193 Å²	193	161.6 Å²	161.6	84%	0.839	79%	0.793	S	S	*	*			trans	-114.4	107.6	-174.1	-164.9	169.1	-175.3	164.7	0	111
734	F	26.8	Very low	28.2	Very low	176 Å²	176	159.1 Å²	159.1	77%	0.772	79%	0.789	S	S	*	*			trans	61.6	93.7	163	-74.3	-112.9	0	0	0	117.8
735	E	28.1	Very low	28.3	Very low	189 Å²	189	155.8 Å²	155.8	88%	0.883	78%	0.783	S	S	*	*			trans	-101.1	124.8	133.6	-86.4	176.1	167.2	0	0	107.2	V737	E735-V737 PolarHBondContact O-N 3.17Å
736	T	31	Very low	28.4	Very low	100 Å²	100	161 Å²	161	61%	0.613	79%	0.794	S	S	*	*			trans	-72	120.9	-173.8	41.4	0	0	0	0	111.5	Y738	T736-Y738 PolarHBondContact O-N 2.9Å
737	V	27.4	Very low	28.3	Very low	130 Å²	130	163.2 Å²	163.2	79%	0.788	79%	0.792	S	S	*	*			trans	-60.8	114.8	155.8	177.9	0	0	0	0	107.4	E735 E739	E735-V737 PolarHBondContact O-N 3.17Å; V737-E739 HydrophobicContact CG1-CG 4.46Å
738	Y	28.4	Very low	28.5	Very low	205 Å²	205	161 Å²	161	80%	0.804	79%	0.785	S	S	*	*			trans	-115.6	113.5	161.7	-101.8	-76.7	0	0	0	107.5	T736 M740	T736-Y738 PolarHBondContact O-N 2.9Å; Y738-M740 PolarHBondContact O-N 2.78Å
739	E	27.6	Very low	28.4	Very low	157 Å²	157	160.6 Å²	160.6	73%	0.734	79%	0.789	S	S	*	*			trans	-63.5	128.2	179	-65.4	166.7	123.4	0	0	110.2	V737 H741	V737-E739 HydrophobicContact CG1-CG 4.46Å; E739-H741 PolarHBondContact O-N 3.2Å
740	M	27.4	Very low	28.7	Very low	178 Å²	178	159.3 Å²	159.3	88%	0.877	78%	0.782	S	S	*	*			trans	-78.7	67.7	161.9	-74.8	-169.7	177.6	0	0	109.7	Y738 Q742	Y738-M740 PolarHBondContact O-N 2.78Å; M740-Q742 PolarHBondContact O-N 3.28Å
741	H	30.6	Very low	28.8	Very low	162 Å²	162	159.8 Å²	159.8	75%	0.75	78%	0.782	S	S	*	*			trans	-75.8	108.8	148.8	-88.4	24.2	0	0	0	107	E739 P743	E739-H741 PolarHBondContact O-N 3.2Å; H741-P743 WeakPolarHBondContact O-CD 3.47Å
742	Q	28.6	Very low	28.9	Very low	169 Å²	169	156.2 Å²	156.2	79%	0.79	77%	0.773	S	S	*	*			trans	-73.8	114.9	167.3	-69.2	-175.6	-4.5	0	0	108.1	M740 T744	M740-Q742 PolarHBondContact O-N 3.28Å; Q742-T744 PolarHBondContact O-N 3.33Å
743	P	28.9	Very low	29	Very low	118 Å²	118	156.6 Å²	156.6	77%	0.766	77%	0.774	S	S	*	*			trans	-74.2	110.2	161.3	30.5	-28.3	0	0	0	106.7	H741 P745	H741-P743 WeakPolarHBondContact O-CD 3.47Å; P743-P745 WeakPolarHBondContact O-CD 3.19Å
744	T	30.5	Very low	29	Very low	114 Å²	114	156.5 Å²	156.5	70%	0.699	78%	0.777	S	S	*	*			trans	-59.9	120.5	165.6	37.9	0	0	0	0	108.1	Q742 K746	Q742-T744 PolarHBondContact O-N 3.33Å; T744-K746 PolarHBondContact O-N 3.01Å
745	P	32.8	Very low	29.1	Very low	102 Å²	102	152.8 Å²	152.8	66%	0.662	77%	0.773	S	S	*	*			trans	-71.5	101.4	174.4	28.7	-31.3	0	0	0	108	P743 Y747	P743-P745 WeakPolarHBondContact O-CD 3.19Å; P745-Y747 PolarHBondContact O-N 3.4Å; P745-Y747 VanDerWaalsContact O-N 3.1Å
746	K	29.7	Very low	29.2	Very low	201 Å²	201	149.3 Å²	149.3	87%	0.874	76%	0.764	S	S	*	*			trans	-59.3	112	159.7	-77.3	-174.5	174.2	-176.8	0	106.9	T744	T744-K746 PolarHBondContact O-N 3.01Å
747	Y	28	Very low	29.1	Very low	206 Å²	206	151.6 Å²	151.6	81%	0.808	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.6	133.6	169.1	-75.1	-92.1	0	0	0	108.6	P745 N749	P745-Y747 PolarHBondContact O-N 3.4Å; P745-Y747 VanDerWaalsContact O-N 3.1Å; Y747-N749 PolarHBondContact O-N 3.48Å
748	P	33	Very low	29.1	Very low	102 Å²	102	151.2 Å²	151.2	66%	0.662	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-70.3	128.4	165.9	29.2	-31.1	0	0	0	108.7	I750	P748-I750 PolarHBondContact O-N 3.17Å
749	N	26.5	Very low	29.1	Very low	163 Å²	163	152.6 Å²	152.6	87%	0.872	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-63.5	117.6	164.7	-82.3	-12.4	0	0	0	108.2	Y747	Y747-N749 PolarHBondContact O-N 3.48Å
750	I	31.8	Very low	29.1	Very low	142 Å²	142	152.6 Å²	152.6	73%	0.728	78%	0.782	S	S	*	*			trans	-131.3	86.6	162.2	-57.5	-178.6	0	0	0	106.3	P748	P748-I750 PolarHBondContact O-N 3.17Å
751	T	27.7	Very low	29.2	Very low	114 Å²	114	152.7 Å²	152.7	70%	0.699	79%	0.786	S	S	*	*			trans	-64.4	164.3	146.3	44.3	0	0	0	0	108.9
752	D	27.4	Very low	29.1	Very low	134 Å²	134	153.1 Å²	153.1	72%	0.717	79%	0.787	S	S	*	*			trans	70.4	92.9	177.6	-45.8	-36.9	0	0	0	115.1
753	Y	29.5	Very low	29.3	Very low	233 Å²	233	152.9 Å²	152.9	91%	0.914	79%	0.786	S	S	*	*				-165.5	99.1	119.5	-114.9	-81.9	0	0	0	109.5
754	Q	26.4	Very low	29.4	Very low	192 Å²	192	152.7 Å²	152.7	90%	0.897	78%	0.779	S	S	*	*			trans	-81.1	125.5	166.6	-72.9	179.5	-32.1	0	0	109.7
755	S	30.4	Very low	29.6	Very low	98 Å²	98	156.3 Å²	156.3	69%	0.685	79%	0.788	S	S	*	*			trans	-178.6	106	138.4	32	0	0	0	0	112.6
756	T	29	Very low	29.4	Very low	116 Å²	116	159.4 Å²	159.4	71%	0.712	79%	0.793	S	S	*	*			trans	35.8	133.2	131.7	51.5	0	0	0	0	122.8
757	N	30.1	Very low	29.6	Very low	147 Å²	147	156.5 Å²	156.5	79%	0.786	79%	0.787	S	S	*	*			trans	77.5	111.6	152.6	-53.7	-23.9	0	0	0	116.5
758	C	27.8	Very low	29.6	Very low	122 Å²	122	150.5 Å²	150.5	82%	0.824	78%	0.775	S	S	*	*				-162.9	132	54.7	-101	0	0	0	0	115.2
759	R	28.1	Very low	29.5	Very low	235 Å²	235	156 Å²	156	89%	0.887	78%	0.784	S	S	*	*			trans	19.6	107.5	151.8	-64.8	-178.8	179.9	-171.3	-0.5	121.4
760	L	27.2	Very low	29.7	Very low	157 Å²	157	155.4 Å²	155.4	82%	0.822	78%	0.78	S	S	*	*				30.4	124	113.2	-79.1	155.9	0	0	0	120
761	L	29.8	Very low	29.6	Very low	180 Å²	180	153.3 Å²	153.3	94%	0.942	78%	0.778	S	S	*	*				-163	115	123.1	-105.7	164	0	0	0	110.1
762	H	28.8	Very low	29.8	Very low	170 Å²	170	157.2 Å²	157.2	79%	0.787	78%	0.782	S	S	*	*			trans	-147.5	149	179.3	-146.8	-73.8	0	0	0	107.6
763	Q	32.2	Very low	29.8	Very low	165 Å²	165	155.8 Å²	155.8	77%	0.771	78%	0.782	S	S	*	*			trans	114.2	142.3	-173.4	-72	-175	-87.4	0	0	111.9
764	D	31.3	Very low	30	Very low	113 Å²	113	151.3 Å²	151.3	60%	0.604	77%	0.773	S	S	*	*			cis	-151	160.5	-0.4	-111.1	-26.9	0	0	0	112.7
765	H	33.4	Very low	30	Very low	191 Å²	191	149.6 Å²	149.6	88%	0.884	77%	0.769	S	S	*	*			trans	-167.4	94.2	144.3	-114.1	-61.3	0	0	0	110.7
766	E	29.9	Very low	30.2	Very low	166 Å²	166	150.9 Å²	150.9	78%	0.776	77%	0.772	S	S	*	*			trans	-69.8	136.4	164.8	-65.3	-169.1	124.5	0	0	110.7
767	N	32.7	Very low	30.3	Very low	141 Å²	141	150 Å²	150	75%	0.754	77%	0.769	S	S	*	*			trans	-171.3	126.2	132.9	-111.7	-63	0	0	0	113.7
768	S	28	Very low	30.3	Very low	80 Å²	80	151.1 Å²	151.1	56%	0.559	77%	0.774	S	S	*	*			trans	65.2	72	145.6	-60.2	0	0	0	0	119.7
769	Y	31.8	Very low	30.3	Very low	216 Å²	216	152.4 Å²	152.4	85%	0.847	77%	0.773	S	S	*	*			trans	-132	84.7	153	-80.6	-79.9	0	0	0	112.2	S771	Y769-S771 PolarHBondContact O-N 3.43Å; Y769-S771 VanDerWaalsContact O-N 3.08Å
770	L	30.6	Very low	30.4	Very low	151 Å²	151	146.2 Å²	146.2	79%	0.791	77%	0.765	S	S	*	*			trans	-62.5	111.1	162	-115.1	89.3	0	0	0	108.7	Y772	L770-Y772 HydrophobicContact CD2-CE2 3.87Å
771	S	30.1	Very low	30.6	Very low	98 Å²	98	147.4 Å²	147.4	69%	0.685	77%	0.772	S	S	*	*			trans	-91	102.5	172.9	-64.3	0	0	0	0	108.4	Y769 S773	Y769-S771 PolarHBondContact O-N 3.43Å; Y769-S771 VanDerWaalsContact O-N 3.08Å; S771-S773 VanDerWaalsContact C-N 3.32Å; S771-S773 PolarHBondContact O-N 3.38Å
772	Y	30.7	Very low	30.5	Very low	196 Å²	196	143.5 Å²	143.5	77%	0.769	76%	0.76	S	S	*	*			trans	-70.3	92	171.5	-90	-86.6	0	0	0	110.2	L770 I774	L770-Y772 HydrophobicContact CD2-CE2 3.87Å; Y772-I774 VanDerWaalsContact C-N 3.33Å; Y772-I774 PolarHBondContact O-N 3.32Å; Y772-I774 VanDerWaalsContact O-N 3.11Å
773	S	27.4	Very low	30.7	Very low	104 Å²	104	143.3 Å²	143.3	73%	0.727	76%	0.763	S	S	*	*			trans	-73.3	83.8	165.1	-58.6	0	0	0	0	109.2	S771 L775	S771-S773 VanDerWaalsContact C-N 3.32Å; S771-S773 PolarHBondContact O-N 3.38Å; S773-L775 PolarHBondContact O-N 2.91Å
774	I	34.2	Very low	30.6	Very low	139 Å²	139	141.5 Å²	141.5	71%	0.713	77%	0.768	S	S	*	*			trans	-75.4	107.6	167.5	-65.8	178.5	0	0	0	107.6	Y772 V776	Y772-I774 VanDerWaalsContact C-N 3.33Å; Y772-I774 PolarHBondContact O-N 3.32Å; Y772-I774 VanDerWaalsContact O-N 3.11Å; I774-V776 PolarHBondContact O-N 3.48Å
775	L	27.1	Very low	30.5	Very low	156 Å²	156	145.3 Å²	145.3	82%	0.817	80%	0.803	S	S	*	*			trans	-56.8	130.8	160.5	-74.7	84.8	0	0	0	108.3	S773	S773-L775 PolarHBondContact O-N 2.91Å
776	V	34	Very low	30.4	Very low	125 Å²	125	143 Å²	143	76%	0.758	80%	0.799	S	S	*	*			trans	-111.8	126.8	152.8	178.9	0	0	0	0	105.1	I774	I774-V776 PolarHBondContact O-N 3.48Å
777	P	31.5	Very low	30.4	Very low	98 Å²	98	141.8 Å²	141.8	64%	0.636	80%	0.8	S	S	*	*			trans	-68	146.1	-169.9	-19.2	31.8	0	0	0	112.8	L779	P777-L779 HydrophobicContact CB-CD1 3.91Å; P777-L779 PolarHBondContact O-N 3.33Å
778	N	28.9	Very low	30.3	Very low	170 Å²	170	141.8 Å²	141.8	91%	0.909	80%	0.802	S	S	*	*			trans	-69.6	109.9	152.7	-79.4	-18.2	0	0	0	107.8
779	L	28.7	Very low	30.4	Very low	150 Å²	150	145.5 Å²	145.5	79%	0.785	82%	0.817	S	S	*	*			trans	-150.8	151.1	163.8	-98.3	119.9	0	0	0	109	P777	P777-L779 HydrophobicContact CB-CD1 3.91Å; P777-L779 PolarHBondContact O-N 3.33Å
780	S	29.9	Very low	30.4	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	82%	0.815	S	S	*	*			trans	63.9	65.6	-176.4	80.5	0	0	0	0	117.2
781	D	31.4	Very low	30.3	Very low	181 Å²	181	140.4 Å²	140.4	97%	0.968	82%	0.816	S	S	*	*			trans	-134.5	59	145.9	-97.9	-28.1	0	0	0	108.2
782	S	28.7	Very low	30.4	Very low	98 Å²	98	143.4 Å²	143.4	69%	0.685	83%	0.826	S	S	*	*			trans	-143	148.2	162.3	63.4	0	0	0	0	107.3
783	I	31.4	Very low	30.3	Very low	166 Å²	166	139.4 Å²	139.4	85%	0.851	83%	0.83	S	S	*	*	S	Bend	trans	76.6	74.1	-166.2	-44.1	162.6	0	0	0	113.2
784	C	31.9	Very low	30.6	Very low	128 Å²	128	142.3 Å²	142.3	87%	0.865	84%	0.839	S	S	*	*				-166.7	129.4	114.7	-106.5	0	0	0	0	109.1
785	S	29.3	Very low	30.3	Very low	192 Å²	192	142.6 Å²	142.6	100%	1.343	85%	0.85	S	S	*	*			trans	-81.7	0	171.1	-173.5	0	0	0	0	111.9

Retrieved 785 of 785 residues in 310 ms (Link to these results)

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