A0A077YZP5_TRITR Loading...

IF140/IFT172/WDR19 TPR domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YZP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 616 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	68.9	Low	76.8	Confident	139 Å²	139	95.5 Å²	95.5	69%	0.685	50%	0.5	S	S	*	.				0	137.3	0	-57.4	-173.8	-163.4	0	0	108	Y3 I16	M1-Y3 HydrophobicContact CB-CD2 4.44Å; M1-Y3 HydrophobicContact CB-CE2 3.69Å; M1-Y3 PolarHBondContact SD-OH 3.36Å; M1-I16 HydrophobicContact CG-CG1 4.11Å; M1-I16 HydrophobicContact CG-CG2 4.3Å; M1-I16 HydrophobicContact SD-CD1 4.49Å
2	V	73.7	Confident	76.9	Confident	33 Å²	33	89.8 Å²	89.8	20%	0.2	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.6	176.7	-177	0	0	0	0	108.7	Q14 H15 F34 W69	V2-Q14 PolarHBondContact O-N 3.46Å; V2-Q14 VanDerWaalsContact O-N 3.11Å; V2-H15 PolarHBondContact N-O 2.64Å; V2-F34 HydrophobicContact CG2-CE2 4.48Å; V2-F34 HydrophobicContact CG2-CZ 3.84Å; V2-W69 HydrophobicContact CG1-CH2 4.15Å; V2-W69 HydrophobicContact CG1-CZ2 3.68Å
3	Y	79.6	Confident	77	Confident	120 Å²	120	88.9 Å²	88.9	47%	0.471	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137	178.8	-58.8	-87.6	0	0	0	109.8	M1 V11 L12 V13	M1-Y3 HydrophobicContact CB-CD2 4.44Å; M1-Y3 HydrophobicContact CB-CE2 3.69Å; M1-Y3 PolarHBondContact SD-OH 3.36Å; Y3-V11 HydrophobicContact CD1-CG1 3.73Å; Y3-V11 HydrophobicContact CG-CG1 4.33Å; Y3-L12 CarbonylContact C-O 3.57Å; Y3-L12 VanDerWaalsContact CA-O 3.31Å; Y3-L12 WeakPolarHBondContact CA-O 3.32Å; Y3-V13 HydrophobicContact CD1-CG2 3.84Å; Y3-V13 HydrophobicContact CE1-CG1 4.48Å; Y3-V13 HydrophobicContact CE1-CG2 3.67Å
4	F	80.2	Confident	76.7	Confident	21 Å²	21	85.3 Å²	85.3	9%	0.092	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.2	162.8	-67.1	-74.9	0	0	0	109	V11 L12 Q14 W69 I87 I90 I91	F4-V11 CarbonylContact O-C 3.2Å; F4-V11 WeakPolarHBondContact O-CA 3.31Å; F4-L12 HydrophobicContact CB-CB 4.3Å; F4-L12 PolarHBondContact N-O 3.2Å; F4-L12 PolarHBondContact O-N 3.14Å; F4-Q14 HydrophobicContact CD2-CB 3.91Å; F4-Q14 HydrophobicContact CD2-CG 4.46Å; F4-Q14 HydrophobicContact CE2-CB 3.62Å; F4-Q14 HydrophobicContact CE2-CG 3.73Å; F4-W69 AromaticContact CE1-CH2 3.69Å; F4-W69 HydrophobicContact CE1-CH2 3.69Å; F4-W69 HydrophobicContact CE1-CZ2 4.36Å; F4-W69 HydrophobicContact CE2-CH2 4.42Å; F4-W69 HydrophobicContact CE2-CZ2 4.3Å; F4-W69 AromaticContact CZ-CH2 3.4Å; F4-W69 HydrophobicContact CZ-CH2 3.4Å; F4-W69 AromaticContact CZ-CZ2 3.64Å; F4-W69 HydrophobicContact CZ-CZ2 3.64Å; F4-I87 HydrophobicContact CE1-CG2 4.09Å; F4-I90 HydrophobicContact CE2-CB 4.47Å; F4-I90 HydrophobicContact CE2-CG2 3.43Å; F4-I90 VanDerWaalsContact CE2-CG2 3.43Å; F4-I90 HydrophobicContact CZ-CB 4.32Å; F4-I90 HydrophobicContact CZ-CG2 3.63Å; F4-I91 HydrophobicContact CB-CG1 4.27Å; F4-I91 HydrophobicContact CD1-CD1 4.18Å; F4-I91 HydrophobicContact CD1-CG1 3.81Å; F4-I91 HydrophobicContact CD2-CG1 4.33Å; F4-I91 HydrophobicContact CE1-CG1 4.17Å; F4-I91 HydrophobicContact CG-CG1 3.89Å
5	V	80.4	Confident	76.4	Confident	117 Å²	117	85.5 Å²	85.5	71%	0.709	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	109.1	174.7	-178	0	0	0	0	106.6	D10 V11	V5-D10 WeakPolarHBondContact CA-O 3.28Å; V5-D10 WeakPolarHBondContact CG1-O 3.4Å; V5-V11 HydrophobicContact CG2-CG2 4.46Å
6	T	78	Confident	76.2	Confident	30 Å²	30	87.1 Å²	87.1	18%	0.184	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.3	179.6	66.1	0	0	0	0	109.5	D8 H9 D10 I91	T6-D8 PolarHBondContact O-N 3.08Å; T6-H9 WeakPolarHBondContact OG1-CB 3.44Å; T6-H9 PolarHBondContact OG1-N 3.18Å; T6-D10 PolarHBondContact N-O 3.42Å; T6-D10 WeakPolarHBondContact O-CA 3.5Å; T6-D10 PolarHBondContact O-N 2.8Å; T6-D10 VanDerWaalsContact O-N 3.15Å; T6-I91 HydrophobicContact CG2-CD1 3.95Å; T6-I91 HydrophobicContact CG2-CG1 4.42Å; T6-I91 HydrophobicContact CG2-CG2 3.9Å
7	L	78.4	Confident	75.8	Confident	176 Å²	176	85.3 Å²	85.3	92%	0.921	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.8	176.8	-71.7	167.5	0	0	0	112.3
8	D	77.1	Confident	75.5	Confident	139 Å²	139	89.6 Å²	89.6	74%	0.743	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-23.5	-173.7	-56.2	-44.6	0	0	0	113.8	T6	T6-D8 PolarHBondContact O-N 3.08Å
9	H	71.4	Confident	75.4	Confident	64 Å²	64	90.1 Å²	90.1	30%	0.296	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	9.7	-172.1	-54.6	-49.7	0	0	0	114.2	T6 V11 L12 A95	T6-H9 WeakPolarHBondContact OG1-CB 3.44Å; T6-H9 PolarHBondContact OG1-N 3.18Å; H9-V11 VanDerWaalsContact C-N 3.33Å; H9-V11 PolarHBondContact O-N 3.46Å; H9-L12 HydrophobicContact CB-CD1 3.67Å; H9-L12 HydrophobicContact CB-CD2 3.99Å; H9-L12 HydrophobicContact CB-CG 3.73Å; H9-A95 WeakPolarHBondContact NE2-CB 3.29Å
10	D	75.9	Confident	75.4	Confident	127 Å²	127	86.6 Å²	86.6	68%	0.679	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.7	-81.3	-174.7	-74.7	-30.5	0	0	0	113.9	V5 T6	V5-D10 WeakPolarHBondContact CA-O 3.28Å; V5-D10 WeakPolarHBondContact CG1-O 3.4Å; T6-D10 PolarHBondContact N-O 3.42Å; T6-D10 WeakPolarHBondContact O-CA 3.5Å; T6-D10 PolarHBondContact O-N 2.8Å; T6-D10 VanDerWaalsContact O-N 3.15Å
11	V	81.5	Confident	75.5	Confident	85 Å²	85	87.9 Å²	87.9	52%	0.515	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	115.3	-178.5	-176.6	0	0	0	0	109.8	Y3 F4 V5 H9	Y3-V11 HydrophobicContact CD1-CG1 3.73Å; Y3-V11 HydrophobicContact CG-CG1 4.33Å; F4-V11 CarbonylContact O-C 3.2Å; F4-V11 WeakPolarHBondContact O-CA 3.31Å; V5-V11 HydrophobicContact CG2-CG2 4.46Å; H9-V11 VanDerWaalsContact C-N 3.33Å; H9-V11 PolarHBondContact O-N 3.46Å
12	L	77.5	Confident	75.9	Confident	26 Å²	26	83.5 Å²	83.5	14%	0.136	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.9	174.8	-65.3	170.4	0	0	0	110.4	Y3 F4 H9 I91 T94 A95	Y3-L12 CarbonylContact C-O 3.57Å; Y3-L12 VanDerWaalsContact CA-O 3.31Å; Y3-L12 WeakPolarHBondContact CA-O 3.32Å; F4-L12 HydrophobicContact CB-CB 4.3Å; F4-L12 PolarHBondContact N-O 3.2Å; F4-L12 PolarHBondContact O-N 3.14Å; H9-L12 HydrophobicContact CB-CD1 3.67Å; H9-L12 HydrophobicContact CB-CD2 3.99Å; H9-L12 HydrophobicContact CB-CG 3.73Å; L12-I91 HydrophobicContact CD1-CG2 4.28Å; L12-T94 HydrophobicContact CB-CG2 4.1Å; L12-A95 HydrophobicContact CD1-CB 3.88Å; L12-A95 HydrophobicContact CD2-CB 4.4Å
13	V	79	Confident	76.2	Confident	79 Å²	79	82.1 Å²	82.1	48%	0.479	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.9	174.7	-172.9	0	0	0	0	108.7	Y3 T94	Y3-V13 HydrophobicContact CD1-CG2 3.84Å; Y3-V13 HydrophobicContact CE1-CG1 4.48Å; Y3-V13 HydrophobicContact CE1-CG2 3.67Å; V13-T94 WeakPolarHBondContact O-CG2 3.2Å
14	Q	72.4	Confident	76.4	Confident	38 Å²	38	80.7 Å²	80.7	18%	0.178	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-55	-179.2	-174.2	-141	21.4	0	0	112.2	V2 F4 I90 T94	V2-Q14 PolarHBondContact O-N 3.46Å; V2-Q14 VanDerWaalsContact O-N 3.11Å; F4-Q14 HydrophobicContact CD2-CB 3.91Å; F4-Q14 HydrophobicContact CD2-CG 4.46Å; F4-Q14 HydrophobicContact CE2-CB 3.62Å; F4-Q14 HydrophobicContact CE2-CG 3.73Å; Q14-I90 HydrophobicContact CG-CG2 3.92Å; Q14-I90 VanDerWaalsContact NE2-CG2 3.26Å; Q14-T94 HydrophobicContact CB-CG2 4.32Å
15	H	71.9	Confident	76.6	Confident	88 Å²	88	83.4 Å²	83.4	41%	0.407	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	145.5	-173.7	-171.9	-85.5	0	0	0	112.9	V2 A17	V2-H15 PolarHBondContact N-O 2.64Å; H15-A17 WeakPolarHBondContact ND1-CB 3.47Å; H15-A17 PolarHBondContact ND1-N 2.94Å; H15-A17 VanDerWaalsContact ND1-N 3.2Å
16	I	73.1	Confident	76.9	Confident	112 Å²	112	82 Å²	82	57%	0.574	46%	0.457	S	S	*	.			trans	-112.2	102.3	171.3	-54.3	-178.9	0	0	0	107.2	M1	M1-I16 HydrophobicContact CG-CG1 4.11Å; M1-I16 HydrophobicContact CG-CG2 4.3Å; M1-I16 HydrophobicContact SD-CD1 4.49Å
17	A	69.7	Low	77.4	Confident	56 Å²	56	85.5 Å²	85.5	46%	0.463	48%	0.475	S	S	.	.			trans	-104.1	140.1	175.9	0	0	0	0	0	110.4	H15	H15-A17 WeakPolarHBondContact ND1-CB 3.47Å; H15-A17 PolarHBondContact ND1-N 2.94Å; H15-A17 VanDerWaalsContact ND1-N 3.2Å
18	D	71.1	Confident	77.8	Confident	163 Å²	163	79.5 Å²	79.5	87%	0.872	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-69.1	132.6	165	-71.9	-30.4	0	0	0	109.7
19	I	72.8	Confident	78.2	Confident	98 Å²	98	76.1 Å²	76.1	50%	0.503	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-77.3	134	176.3	-63.8	171.5	0	0	0	108	C23 F36	I19-C23 HydrophobicContact CG2-CB 3.37Å; I19-F36 HydrophobicContact CD1-CE1 4.1Å; I19-F36 HydrophobicContact CG1-CE1 4.2Å; I19-F36 HydrophobicContact CG2-CD1 4.36Å; I19-F36 HydrophobicContact CG2-CE1 4.17Å
20	S	74.9	Confident	78.8	Confident	20 Å²	20	82.1 Å²	82.1	14%	0.14	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-55.9	143.6	178.2	60.3	0	0	0	0	111.3	S22 C23 E57	S20-S22 PolarHBondContact O-N 2.81Å; S20-S22 PolarHBondContact OG-OG 3.09Å; S20-C23 PolarHBondContact O-N 3.11Å; S20-C23 PolarHBondContact OG-SG 3.41Å; S20-E57 WeakPolarHBondContact CB-OE1 3.36Å; S20-E57 WeakPolarHBondContact CB-OE2 3.26Å; S20-E57 VanDerWaalsContact OG-CD 3.31Å; S20-E57 PolarHBondContact OG-OE1 3.15Å; S20-E57 PolarHBondContact OG-OE2 3.3Å; S20-E57 VanDerWaalsContact OG-OE2 3.05Å
21	P	78.2	Confident	79	Confident	115 Å²	115	78.8 Å²	78.8	75%	0.747	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.9	-174.2	22.8	-33.2	0	0	0	113.4	K39	P21-K39 WeakPolarHBondContact O-CD 3.25Å; P21-K39 PolarHBondContact O-NZ 3.12Å; P21-K39 VanDerWaalsContact O-NZ 3.15Å
22	S	76.8	Confident	79	Confident	46 Å²	46	75 Å²	75	32%	0.322	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.2	174	33.3	0	0	0	0	114.9	S20 K39	S20-S22 PolarHBondContact O-N 2.81Å; S20-S22 PolarHBondContact OG-OG 3.09Å; S22-K39 PolarHBondContact O-N 2.71Å
23	C	80.4	Confident	79.5	Confident	4 Å²	4	75.3 Å²	75.3	3%	0.027	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	145.7	178.5	-66.7	0	0	0	0	110.5	I19 S20 F36 K39 I65	I19-C23 HydrophobicContact CG2-CB 3.37Å; S20-C23 PolarHBondContact O-N 3.11Å; S20-C23 PolarHBondContact OG-SG 3.41Å; C23-F36 HydrophobicContact CB-CB 3.79Å; C23-F36 HydrophobicContact CB-CD1 4.08Å; C23-F36 HydrophobicContact CB-CG 3.94Å; C23-F36 VanDerWaalsContact SG-CB 3.57Å; C23-K39 WeakPolarHBondContact O-CE 3.34Å; C23-I65 VanDerWaalsContact SG-CD1 3.57Å
24	D	83.1	Confident	79.8	Confident	91 Å²	91	73.1 Å²	73.1	49%	0.487	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-57.5	-178	-159	29.1	0	0	0	112	N37 K39	D24-N37 PolarHBondContact N-O 2.76Å; D24-K39 HydrophobicContact CB-CG 3.77Å; D24-K39 WeakPolarHBondContact OD1-CE 3.18Å
25	T	84.9	Confident	80.7	Confident	77 Å²	77	74 Å²	74	47%	0.472	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.4	-175.8	-45.6	0	0	0	0	110.6	L27 F36 N37	T25-L27 PolarHBondContact O-N 3.32Å; T25-F36 CarbonylContact O-C 3.59Å; T25-F36 VanDerWaalsContact O-CA 3.29Å; T25-F36 WeakPolarHBondContact O-CA 3.27Å; T25-N37 PolarHBondContact O-N 3.36Å
26	L	86.7	Confident	81.5	Confident	87 Å²	87	70.9 Å²	70.9	46%	0.455	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.9	172.3	-177.7	72.4	0	0	0	109.7	F34 Y35 F36	L26-F34 HydrophobicContact CD1-CB 3.92Å; L26-F34 HydrophobicContact CD1-CD1 4.18Å; L26-F34 HydrophobicContact CD1-CG 4.44Å; L26-Y35 WeakPolarHBondContact CD1-O 3.46Å; L26-F36 HydrophobicContact CB-CD1 4Å; L26-F36 HydrophobicContact CB-CE1 3.83Å; L26-F36 HydrophobicContact CD1-CD1 3.94Å; L26-F36 HydrophobicContact CD1-CD2 4.44Å; L26-F36 HydrophobicContact CD1-CE1 3.55Å; L26-F36 HydrophobicContact CD1-CE2 4.1Å; L26-F36 HydrophobicContact CD1-CG 4.37Å; L26-F36 HydrophobicContact CD1-CZ 3.64Å; L26-F36 HydrophobicContact CG-CE1 4.27Å
27	L	88.4	Confident	82.2	Confident	105 Å²	105	68 Å²	68	55%	0.55	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-42.3	-178.6	-64.4	173.3	0	0	0	112.5	T25 Y35 N37 L64	T25-L27 PolarHBondContact O-N 3.32Å; L27-Y35 PolarHBondContact N-O 3.25Å; L27-N37 HydrophobicContact CD1-CB 4.29Å; L27-N37 HydrophobicContact CD2-CB 4.46Å; L27-N37 HydrophobicContact CG-CB 4.37Å; L27-L64 HydrophobicContact CD1-CD1 3.67Å
28	A	87.1	Confident	82.8	Confident	49 Å²	49	65.3 Å²	65.3	41%	0.405	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	151.8	-177.9	0	0	0	0	0	111.2	Y35	A28-Y35 HydrophobicContact CB-CD2 4.16Å; A28-Y35 PolarHBondContact N-O 3.39Å; A28-Y35 PolarHBondContact O-N 3.44Å
29	A	85.5	Confident	83.2	Confident	69 Å²	69	61.9 Å²	61.9	57%	0.57	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	123	169.3	0	0	0	0	0	108.4	F34	A29-F34 HydrophobicContact CB-CD1 3.69Å; A29-F34 HydrophobicContact CB-CE1 3.78Å
30	R	84	Confident	82.9	Confident	190 Å²	190	61.4 Å²	61.4	72%	0.717	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	110.7	175.6	179.3	180	-176.7	172.3	3	108.5	Y33 Y35	R30-Y33 CarbonylContact C-O 3.6Å; R30-Y33 PolarHBondContact N-O 3.1Å; R30-Y33 WeakPolarHBondContact O-CA 3.41Å; R30-Y33 PolarHBondContact O-N 2.99Å; R30-Y35 HydrophobicContact CB-CE2 4.39Å
31	T	80.5	Confident	82.2	Confident	56 Å²	56	65.8 Å²	65.8	34%	0.344	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	123.1	-179.7	-48.2	0	0	0	0	111	F72 I87	T31-F72 HydrophobicContact CG2-CD2 4.15Å; T31-F72 HydrophobicContact CG2-CE1 3.92Å; T31-F72 HydrophobicContact CG2-CE2 3.49Å; T31-F72 VanDerWaalsContact CG2-CE2 3.49Å; T31-F72 HydrophobicContact CG2-CZ 3.36Å; T31-I87 HydrophobicContact CG2-CD1 3.92Å; T31-I87 HydrophobicContact CG2-CG1 4.36Å
32	P	80.8	Confident	81	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.032	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.8	11.8	11.5	36.4	-35.1	0	0	0	117	W69 F72	P32-W69 WeakPolarHBondContact O-CB 3.2Å; P32-W69 PolarHBondContact O-N 3.24Å; P32-F72 HydrophobicContact CB-CB 3.42Å; P32-F72 VanDerWaalsContact CB-CB 3.42Å; P32-F72 HydrophobicContact CB-CD1 3.83Å; P32-F72 HydrophobicContact CB-CD2 4.08Å; P32-F72 HydrophobicContact CB-CG 3.5Å
33	Y	87.2	Confident	79.8	Confident	34 Å²	34	71.6 Å²	71.6	13%	0.133	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.3	-167.8	-51.6	-69.1	0	0	0	115.1	R30 R66 A67 E76	R30-Y33 CarbonylContact C-O 3.6Å; R30-Y33 PolarHBondContact N-O 3.1Å; R30-Y33 WeakPolarHBondContact O-CA 3.41Å; R30-Y33 PolarHBondContact O-N 2.99Å; Y33-R66 HydrophobicContact CD1-CG 3.71Å; Y33-R66 HydrophobicContact CE1-CG 4.44Å; Y33-R66 HydrophobicContact CG-CG 3.86Å; Y33-A67 CarbonylContact C-O 3.28Å; Y33-A67 WeakPolarHBondContact CA-O 3.19Å; Y33-E76 HydrophobicContact CE1-CG 4.22Å
34	F	87.3	Confident	77.9	Confident	32 Å²	32	76.1 Å²	76.1	14%	0.14	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.5	161.2	-62.8	-66.2	0	0	0	109.9	V2 L26 A29 F36 R66 A67 W69	V2-F34 HydrophobicContact CG2-CE2 4.48Å; V2-F34 HydrophobicContact CG2-CZ 3.84Å; L26-F34 HydrophobicContact CD1-CB 3.92Å; L26-F34 HydrophobicContact CD1-CD1 4.18Å; L26-F34 HydrophobicContact CD1-CG 4.44Å; A29-F34 HydrophobicContact CB-CD1 3.69Å; A29-F34 HydrophobicContact CB-CE1 3.78Å; F34-F36 HydrophobicContact CB-CD2 4.32Å; F34-F36 HydrophobicContact CB-CE2 3.57Å; F34-F36 HydrophobicContact CB-CZ 4.08Å; F34-R66 CarbonylContact O-C 3.57Å; F34-R66 WeakPolarHBondContact O-CA 3.33Å; F34-A67 HydrophobicContact CB-CB 4.46Å; F34-A67 PolarHBondContact N-O 3.49Å; F34-A67 PolarHBondContact O-N 2.96Å; F34-W69 HydrophobicContact CD2-CB 4.27Å; F34-W69 HydrophobicContact CE2-CB 3.73Å; F34-W69 AromaticContact CE2-CD1 3.99Å; F34-W69 AromaticContact CE2-CD2 3.99Å; F34-W69 HydrophobicContact CE2-CD2 3.99Å; F34-W69 AromaticContact CE2-CG 3.62Å; F34-W69 HydrophobicContact CE2-CG 3.62Å; F34-W69 AromaticContact CZ-CD2 3.98Å; F34-W69 HydrophobicContact CZ-CD2 3.98Å; F34-W69 HydrophobicContact CZ-CE3 4.27Å; F34-W69 HydrophobicContact CZ-CG 4.13Å
35	Y	89.6	Confident	75.9	Confident	56 Å²	56	80.1 Å²	80.1	22%	0.22	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.5	179.5	-66.1	-87.5	0	0	0	109.9	L26 L27 A28 R30 I60 L64 I65 R66	L26-Y35 WeakPolarHBondContact CD1-O 3.46Å; L27-Y35 PolarHBondContact N-O 3.25Å; A28-Y35 HydrophobicContact CB-CD2 4.16Å; A28-Y35 PolarHBondContact N-O 3.39Å; A28-Y35 PolarHBondContact O-N 3.44Å; R30-Y35 HydrophobicContact CB-CE2 4.39Å; Y35-I60 HydrophobicContact CD1-CD1 4.4Å; Y35-I60 HydrophobicContact CE1-CD1 4.07Å; Y35-L64 HydrophobicContact CD1-CD1 4.33Å; Y35-L64 HydrophobicContact CD1-CD2 4.37Å; Y35-I65 CarbonylContact C-O 3.41Å; Y35-I65 WeakPolarHBondContact CA-O 3.48Å; Y35-R66 HydrophobicContact CD1-CB 4.3Å; Y35-R66 HydrophobicContact CD1-CG 4.35Å; Y35-R66 HydrophobicContact CE1-CB 4.22Å; Y35-R66 HydrophobicContact CE1-CG 3.95Å
36	F	89.1	Confident	73.7	Confident	23 Å²	23	81.9 Å²	81.9	10%	0.101	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.7	-178	-64.3	-87.1	0	0	0	112.1	I19 C23 T25 L26 F34 L64 I65 A67	I19-F36 HydrophobicContact CD1-CE1 4.1Å; I19-F36 HydrophobicContact CG1-CE1 4.2Å; I19-F36 HydrophobicContact CG2-CD1 4.36Å; I19-F36 HydrophobicContact CG2-CE1 4.17Å; C23-F36 HydrophobicContact CB-CB 3.79Å; C23-F36 HydrophobicContact CB-CD1 4.08Å; C23-F36 HydrophobicContact CB-CG 3.94Å; C23-F36 VanDerWaalsContact SG-CB 3.57Å; T25-F36 CarbonylContact O-C 3.59Å; T25-F36 VanDerWaalsContact O-CA 3.29Å; T25-F36 WeakPolarHBondContact O-CA 3.27Å; L26-F36 HydrophobicContact CB-CD1 4Å; L26-F36 HydrophobicContact CB-CE1 3.83Å; L26-F36 HydrophobicContact CD1-CD1 3.94Å; L26-F36 HydrophobicContact CD1-CD2 4.44Å; L26-F36 HydrophobicContact CD1-CE1 3.55Å; L26-F36 HydrophobicContact CD1-CE2 4.1Å; L26-F36 HydrophobicContact CD1-CG 4.37Å; L26-F36 HydrophobicContact CD1-CZ 3.64Å; L26-F36 HydrophobicContact CG-CE1 4.27Å; F34-F36 HydrophobicContact CB-CD2 4.32Å; F34-F36 HydrophobicContact CB-CE2 3.57Å; F34-F36 HydrophobicContact CB-CZ 4.08Å; F36-L64 WeakPolarHBondContact O-CA 3.31Å; F36-I65 HydrophobicContact CB-CB 4.41Å; F36-I65 PolarHBondContact N-O 3.17Å; F36-I65 PolarHBondContact O-N 3.44Å; F36-A67 HydrophobicContact CD2-CB 4.24Å; F36-A67 HydrophobicContact CE2-CB 3.91Å
37	N	87.4	Confident	71.4	Confident	51 Å²	51	86.1 Å²	86.1	27%	0.273	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.8	165.8	-164.9	30.4	0	0	0	109.7	D24 T25 L27 F63	D24-N37 PolarHBondContact N-O 2.76Å; T25-N37 PolarHBondContact O-N 3.36Å; L27-N37 HydrophobicContact CD1-CB 4.29Å; L27-N37 HydrophobicContact CD2-CB 4.46Å; L27-N37 HydrophobicContact CG-CB 4.37Å; N37-F63 CarbonylContact C-O 3.45Å; N37-F63 VanDerWaalsContact CA-O 3.28Å; N37-F63 WeakPolarHBondContact CA-O 3.47Å; N37-F63 PolarHBondContact OD1-O 3.18Å
38	A	83.6	Confident	68.7	Low	1 Å²	1	88.3 Å²	88.3	1%	0.008	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.1	179.7	0	0	0	0	0	110.8	I40 K62 F63 I65	A38-I40 PolarHBondContact O-N 3.29Å; A38-K62 WeakPolarHBondContact CB-O 3.34Å; A38-F63 PolarHBondContact N-O 2.81Å; A38-I65 HydrophobicContact CB-CD1 3.77Å; A38-I65 HydrophobicContact CB-CG1 3.96Å
39	K	79.1	Confident	66.1	Low	91 Å²	91	94.7 Å²	94.7	40%	0.396	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-64.7	128.8	171.5	-70.3	-175.4	-173.4	151.9	0	110.2	P21 S22 C23 D24 D41	P21-K39 WeakPolarHBondContact O-CD 3.25Å; P21-K39 PolarHBondContact O-NZ 3.12Å; P21-K39 VanDerWaalsContact O-NZ 3.15Å; S22-K39 PolarHBondContact O-N 2.71Å; C23-K39 WeakPolarHBondContact O-CE 3.34Å; D24-K39 HydrophobicContact CB-CG 3.77Å; D24-K39 WeakPolarHBondContact OD1-CE 3.18Å; K39-D41 PolarHBondContact O-N 2.91Å
40	I	67.2	Low	63.7	Low	87 Å²	87	98.9 Å²	98.9	45%	0.446	50%	0.495	S	S	.	.			trans	-89.5	103.4	-178.7	-55.7	166.3	0	0	0	108.6	A38 F63	A38-I40 PolarHBondContact O-N 3.29Å; I40-F63 HydrophobicContact CD1-CD1 3.85Å; I40-F63 HydrophobicContact CD1-CE1 3.61Å; I40-F63 HydrophobicContact CG1-CD1 4.2Å; I40-F63 HydrophobicContact CG1-CE1 4.24Å
41	D	59.7	Low	61.1	Low	112 Å²	112	100.2 Å²	100.2	60%	0.599	51%	0.506	S	S	*	.			trans	-78.4	119.6	165.3	-69.3	-33.9	0	0	0	109.1	K39 S43	K39-D41 PolarHBondContact O-N 2.91Å; D41-S43 PolarHBondContact O-N 3.36Å
42	L	51.9	Low	58.9	Low	179 Å²	179	105.8 Å²	105.8	94%	0.937	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	10.3	-179.8	-81.4	152	0	0	0	113.9
43	S	51.6	Low	56.7	Low	105 Å²	105	115 Å²	115	73%	0.734	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	9.9	-164.8	54.6	0	0	0	0	115.6	D41	D41-S43 PolarHBondContact O-N 3.36Å
44	T	40.8	Very low	54.5	Low	98 Å²	98	119.9 Å²	119.9	60%	0.601	59%	0.593	S	S	*	*			trans	-142.8	118.1	-174.9	-4.2	0	0	0	0	110.7
45	E	42.3	Very low	52.9	Low	176 Å²	176	126 Å²	126	82%	0.822	63%	0.628	S	S	*	*			trans	-56.6	146.1	163.5	-71.4	-150.9	158.9	0	0	109.3	E47	E45-E47 VanDerWaalsContact C-N 3.34Å; E45-E47 PolarHBondContact O-N 3.45Å
46	P	38.6	Very low	51.6	Low	113 Å²	113	125.4 Å²	125.4	73%	0.734	63%	0.631	S	S	*	*			trans	-70.2	94.8	-178.2	29.6	-31.4	0	0	0	108.6	N48	P46-N48 VanDerWaalsContact C-N 3.32Å; P46-N48 PolarHBondContact O-N 3.48Å
47	E	38.5	Very low	50.8	Low	176 Å²	176	128.6 Å²	128.6	82%	0.822	65%	0.646	S	S	*	*			trans	-65.4	96.7	166.8	-73.6	-172.2	164.3	0	0	108.4	E45 K49	E45-E47 VanDerWaalsContact C-N 3.34Å; E45-E47 PolarHBondContact O-N 3.45Å; E47-K49 PolarHBondContact O-N 3.27Å
48	N	30.9	Very low	50.5	Low	152 Å²	152	130.3 Å²	130.3	81%	0.813	66%	0.655	S	S	*	*			trans	-60.4	82.5	157	-88.9	-21.6	0	0	0	107.9	P46	P46-N48 VanDerWaalsContact C-N 3.32Å; P46-N48 PolarHBondContact O-N 3.48Å
49	K	33.4	Very low	50.4	Low	182 Å²	182	136.7 Å²	136.7	79%	0.791	68%	0.679	S	S	*	*			trans	173.8	108.4	163.8	-93.9	142.1	-163	-173	0	109.7	E47	E47-K49 PolarHBondContact O-N 3.27Å
50	E	34.1	Very low	50.5	Low	158 Å²	158	136.2 Å²	136.2	74%	0.738	68%	0.68	S	S	*	*				166.6	116.2	115.8	-91.1	-176.8	176.8	0	0	108	K52	E50-K52 PolarHBondContact O-N 3.4Å
51	K	29.2	Very low	51.1	Low	218 Å²	218	135.8 Å²	135.8	95%	0.948	68%	0.679	S	S	*	*			trans	-60.1	81.4	166.9	-67.5	177	174.9	-177.2	0	108.7	K53	K51-K53 PolarHBondContact O-N 3.03Å
52	K	34.3	Very low	52	Low	172 Å²	172	136.3 Å²	136.3	75%	0.748	68%	0.676	S	S	*	*			trans	-81.9	88.9	167.7	-79.8	-176.9	180	169.5	0	108.2	E50 D54	E50-K52 PolarHBondContact O-N 3.4Å; K52-D54 PolarHBondContact O-N 3.47Å
53	K	34.4	Very low	53.5	Low	200 Å²	200	132.7 Å²	132.7	87%	0.87	65%	0.653	S	S	*	*	S	Bend	trans	37.1	22.9	132.7	-108.9	-175.9	-176.2	-176.5	0	122	K51	K51-K53 PolarHBondContact O-N 3.03Å
54	D	42.3	Very low	55.2	Low	135 Å²	135	129.7 Å²	129.7	72%	0.722	63%	0.628	S	S	*	*			trans	-137.7	104.4	156.8	-75.8	-42	0	0	0	107.2	K52 C56	K52-D54 PolarHBondContact O-N 3.47Å; D54-C56 PolarHBondContact O-N 3.15Å
55	D	53.2	Low	57.3	Low	161 Å²	161	125.3 Å²	125.3	86%	0.861	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	8.4	-174.7	-75.7	-34.2	0	0	0	114.3
56	C	62.2	Low	59.5	Low	43 Å²	43	119.7 Å²	119.7	29%	0.291	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-15.7	-172.9	-62.7	0	0	0	0	114.4	D54 A67 T68	D54-C56 PolarHBondContact O-N 3.15Å; C56-A67 CarbonylContact O-C 3.57Å; C56-A67 WeakPolarHBondContact O-CA 3.48Å; C56-T68 PolarHBondContact O-N 3.3Å
57	E	73	Confident	61.7	Low	90 Å²	90	114.8 Å²	114.8	42%	0.421	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.3	-179.2	-66.2	-169	165.5	0	0	113	S20 A67	S20-E57 WeakPolarHBondContact CB-OE1 3.36Å; S20-E57 WeakPolarHBondContact CB-OE2 3.26Å; S20-E57 VanDerWaalsContact OG-CD 3.31Å; S20-E57 PolarHBondContact OG-OE1 3.15Å; S20-E57 PolarHBondContact OG-OE2 3.3Å; S20-E57 VanDerWaalsContact OG-OE2 3.05Å; E57-A67 HydrophobicContact CG-CB 4.1Å
58	L	80.3	Confident	63.8	Low	88 Å²	88	106.7 Å²	106.7	46%	0.461	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.5	177.6	-173.9	75.1	0	0	0	110.8	I60 R66	L58-I60 PolarHBondContact O-N 3.11Å; L58-R66 PolarHBondContact N-O 3.4Å; L58-R66 PolarHBondContact O-N 3.01Å
59	R	81	Confident	66.1	Low	134 Å²	134	100.5 Å²	100.5	51%	0.506	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	106.7	171.1	-166	166.5	-170.9	158.7	4.7	109.7	N61 K62 I65	R59-N61 VanDerWaalsContact CG-O 3.31Å; R59-N61 WeakPolarHBondContact CG-O 3.48Å; R59-N61 PolarHBondContact NE-O 3.43Å; R59-K62 PolarHBondContact NH2-O 3.37Å; R59-I65 HydrophobicContact CB-CG1 4.37Å; R59-I65 HydrophobicContact CG-CG1 4.07Å
60	I	81.9	Confident	68	Low	81 Å²	81	95 Å²	95	42%	0.415	45%	0.452	S	S	.	.			trans	-73	-42.5	-178.6	-64.4	175.6	0	0	0	110.5	Y35 L58 L64 R66	Y35-I60 HydrophobicContact CD1-CD1 4.4Å; Y35-I60 HydrophobicContact CE1-CD1 4.07Å; L58-I60 PolarHBondContact O-N 3.11Å; I60-L64 HydrophobicContact CB-CB 4.39Å; I60-L64 HydrophobicContact CB-CD2 4.23Å; I60-L64 HydrophobicContact CB-CG 4.42Å; I60-L64 HydrophobicContact CD1-CD2 3.76Å; I60-L64 HydrophobicContact CD1-CG 4.23Å; I60-L64 HydrophobicContact CG2-CD2 4.32Å; I60-L64 PolarHBondContact N-O 3.32Å; I60-R66 HydrophobicContact CD1-CB 3.69Å; I60-R66 HydrophobicContact CD1-CG 4.48Å; I60-R66 HydrophobicContact CG1-CB 4.03Å
61	N	80.1	Confident	69.6	Low	79 Å²	79	87.7 Å²	87.7	42%	0.422	42%	0.418	S	S	.	.	S	Bend	trans	-155.4	-169	178.2	67.1	30.3	0	0	0	111.6	R59 F63 L64	R59-N61 VanDerWaalsContact CG-O 3.31Å; R59-N61 WeakPolarHBondContact CG-O 3.48Å; R59-N61 PolarHBondContact NE-O 3.43Å; N61-F63 PolarHBondContact O-N 3.12Å; N61-F63 VanDerWaalsContact O-N 3.16Å; N61-F63 WeakPolarHBondContact OD1-CA 3.47Å; N61-F63 PolarHBondContact OD1-N 2.98Å; N61-L64 PolarHBondContact N-O 3.01Å; N61-L64 VanDerWaalsContact OD1-CB 3.3Å; N61-L64 WeakPolarHBondContact OD1-CB 3.42Å; N61-L64 PolarHBondContact OD1-N 3.4Å
62	K	78.6	Confident	71.7	Confident	122 Å²	122	77.4 Å²	77.4	53%	0.53	37%	0.374	S	S	.	.	S	Bend	trans	-55.9	-31.4	-179.7	-173.3	172.4	-179.5	175.7	0	113.3	A38 R59	A38-K62 WeakPolarHBondContact CB-O 3.34Å; R59-K62 PolarHBondContact NH2-O 3.37Å
63	F	83.1	Confident	73.3	Confident	104 Å²	104	70.5 Å²	70.5	46%	0.456	35%	0.348	S	S	.	.	S	Bend	trans	-112.4	-15.1	-170.7	-52.3	-74	0	0	0	113.9	N37 A38 I40 N61	N37-F63 CarbonylContact C-O 3.45Å; N37-F63 VanDerWaalsContact CA-O 3.28Å; N37-F63 WeakPolarHBondContact CA-O 3.47Å; N37-F63 PolarHBondContact OD1-O 3.18Å; A38-F63 PolarHBondContact N-O 2.81Å; I40-F63 HydrophobicContact CD1-CD1 3.85Å; I40-F63 HydrophobicContact CD1-CE1 3.61Å; I40-F63 HydrophobicContact CG1-CD1 4.2Å; I40-F63 HydrophobicContact CG1-CE1 4.24Å; N61-F63 PolarHBondContact O-N 3.12Å; N61-F63 VanDerWaalsContact O-N 3.16Å; N61-F63 WeakPolarHBondContact OD1-CA 3.47Å; N61-F63 PolarHBondContact OD1-N 2.98Å
64	L	85.9	Confident	74.9	Confident	42 Å²	42	63.8 Å²	63.8	22%	0.22	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.7	-168.4	-170.6	68.5	0	0	0	111.7	L27 Y35 F36 I60 N61	L27-L64 HydrophobicContact CD1-CD1 3.67Å; Y35-L64 HydrophobicContact CD1-CD1 4.33Å; Y35-L64 HydrophobicContact CD1-CD2 4.37Å; F36-L64 WeakPolarHBondContact O-CA 3.31Å; I60-L64 HydrophobicContact CB-CB 4.39Å; I60-L64 HydrophobicContact CB-CD2 4.23Å; I60-L64 HydrophobicContact CB-CG 4.42Å; I60-L64 HydrophobicContact CD1-CD2 3.76Å; I60-L64 HydrophobicContact CD1-CG 4.23Å; I60-L64 HydrophobicContact CG2-CD2 4.32Å; I60-L64 PolarHBondContact N-O 3.32Å; N61-L64 PolarHBondContact N-O 3.01Å; N61-L64 VanDerWaalsContact OD1-CB 3.3Å; N61-L64 WeakPolarHBondContact OD1-CB 3.42Å; N61-L64 PolarHBondContact OD1-N 3.4Å
65	I	86.5	Confident	76.1	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.1	171	-64.8	164.2	0	0	0	108.2	C23 Y35 F36 A38 R59	C23-I65 VanDerWaalsContact SG-CD1 3.57Å; Y35-I65 CarbonylContact C-O 3.41Å; Y35-I65 WeakPolarHBondContact CA-O 3.48Å; F36-I65 HydrophobicContact CB-CB 4.41Å; F36-I65 PolarHBondContact N-O 3.17Å; F36-I65 PolarHBondContact O-N 3.44Å; A38-I65 HydrophobicContact CB-CD1 3.77Å; A38-I65 HydrophobicContact CB-CG1 3.96Å; R59-I65 HydrophobicContact CB-CG1 4.37Å; R59-I65 HydrophobicContact CG-CG1 4.07Å
66	R	87.6	Confident	77	Confident	57 Å²	57	51.9 Å²	51.9	22%	0.215	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.3	172.4	-178.8	-171.7	75.3	172.6	11.3	108.1	Y33 F34 Y35 L58 I60	Y33-R66 HydrophobicContact CD1-CG 3.71Å; Y33-R66 HydrophobicContact CE1-CG 4.44Å; Y33-R66 HydrophobicContact CG-CG 3.86Å; F34-R66 CarbonylContact O-C 3.57Å; F34-R66 WeakPolarHBondContact O-CA 3.33Å; Y35-R66 HydrophobicContact CD1-CB 4.3Å; Y35-R66 HydrophobicContact CD1-CG 4.35Å; Y35-R66 HydrophobicContact CE1-CB 4.22Å; Y35-R66 HydrophobicContact CE1-CG 3.95Å; L58-R66 PolarHBondContact N-O 3.4Å; L58-R66 PolarHBondContact O-N 3.01Å; I60-R66 HydrophobicContact CD1-CB 3.69Å; I60-R66 HydrophobicContact CD1-CG 4.48Å; I60-R66 HydrophobicContact CG1-CB 4.03Å
67	A	85.8	Confident	77.5	Confident	10 Å²	10	57.1 Å²	57.1	8%	0.083	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.9	171.8	0	0	0	0	0	109.7	Y33 F34 F36 C56 E57	Y33-A67 CarbonylContact C-O 3.28Å; Y33-A67 WeakPolarHBondContact CA-O 3.19Å; F34-A67 HydrophobicContact CB-CB 4.46Å; F34-A67 PolarHBondContact N-O 3.49Å; F34-A67 PolarHBondContact O-N 2.96Å; F36-A67 HydrophobicContact CD2-CB 4.24Å; F36-A67 HydrophobicContact CE2-CB 3.91Å; C56-A67 CarbonylContact O-C 3.57Å; C56-A67 WeakPolarHBondContact O-CA 3.48Å; E57-A67 HydrophobicContact CG-CB 4.1Å
68	T	82.5	Confident	77.3	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.043	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.2	168.8	-56.1	0	0	0	0	108	C56 P70 F72 E76	C56-T68 PolarHBondContact O-N 3.3Å; T68-P70 WeakPolarHBondContact O-CD 3.39Å; T68-F72 HydrophobicContact CG2-CB 4.28Å; T68-E76 WeakPolarHBondContact CB-OE1 3.46Å; T68-E76 HydrophobicContact CG2-CG 3.86Å; T68-E76 WeakPolarHBondContact CG2-OE1 3.28Å; T68-E76 PolarHBondContact OG1-OE1 3.49Å
69	W	78.9	Confident	77.2	Confident	21 Å²	21	53.5 Å²	53.5	8%	0.08	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.3	127.8	173.3	-170.4	-8.9	0	0	0	108.5	V2 F4 P32 F34 V71 F72 A73	V2-W69 HydrophobicContact CG1-CH2 4.15Å; V2-W69 HydrophobicContact CG1-CZ2 3.68Å; F4-W69 AromaticContact CE1-CH2 3.69Å; F4-W69 HydrophobicContact CE1-CH2 3.69Å; F4-W69 HydrophobicContact CE1-CZ2 4.36Å; F4-W69 HydrophobicContact CE2-CH2 4.42Å; F4-W69 HydrophobicContact CE2-CZ2 4.3Å; F4-W69 AromaticContact CZ-CH2 3.4Å; F4-W69 HydrophobicContact CZ-CH2 3.4Å; F4-W69 AromaticContact CZ-CZ2 3.64Å; F4-W69 HydrophobicContact CZ-CZ2 3.64Å; P32-W69 WeakPolarHBondContact O-CB 3.2Å; P32-W69 PolarHBondContact O-N 3.24Å; F34-W69 HydrophobicContact CD2-CB 4.27Å; F34-W69 HydrophobicContact CE2-CB 3.73Å; F34-W69 AromaticContact CE2-CD1 3.99Å; F34-W69 AromaticContact CE2-CD2 3.99Å; F34-W69 HydrophobicContact CE2-CD2 3.99Å; F34-W69 AromaticContact CE2-CG 3.62Å; F34-W69 HydrophobicContact CE2-CG 3.62Å; F34-W69 AromaticContact CZ-CD2 3.98Å; F34-W69 HydrophobicContact CZ-CD2 3.98Å; F34-W69 HydrophobicContact CZ-CE3 4.27Å; F34-W69 HydrophobicContact CZ-CG 4.13Å; W69-V71 PolarHBondContact O-N 3.11Å; W69-F72 HydrophobicContact CB-CD2 4.12Å; W69-F72 HydrophobicContact CD2-CD2 4.17Å; W69-F72 HydrophobicContact CD2-CE2 4.38Å; W69-F72 AromaticContact CE3-CD2 3.83Å; W69-F72 HydrophobicContact CE3-CD2 3.83Å; W69-F72 AromaticContact CE3-CE2 3.75Å; W69-F72 HydrophobicContact CE3-CE2 3.75Å; W69-F72 HydrophobicContact CG-CD2 4.31Å; W69-F72 HydrophobicContact CZ3-CE2 4.1Å; W69-F72 WeakPolarHBondContact O-CA 3.34Å; W69-F72 PolarHBondContact O-N 3.39Å; W69-A73 PolarHBondContact O-N 2.96Å
70	P	72.8	Confident	77	Confident	68 Å²	68	51.8 Å²	51.8	44%	0.442	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-43.8	-38.9	-177.4	-35.3	29.6	0	0	0	115.9	T68 F72 A73 F127	T68-P70 WeakPolarHBondContact O-CD 3.39Å; P70-F72 VanDerWaalsContact C-N 3.25Å; P70-F72 PolarHBondContact O-N 2.84Å; P70-A73 WeakPolarHBondContact O-CB 3.39Å; P70-A73 PolarHBondContact O-N 3.09Å; P70-F127 HydrophobicContact CB-CZ 4.12Å
71	V	67.1	Low	76.7	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.024	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-68	-25	180	-164.6	0	0	0	0	112.9	W69 L75 I90 F127	W69-V71 PolarHBondContact O-N 3.11Å; V71-L75 VanDerWaalsContact O-CD1 3.23Å; V71-L75 WeakPolarHBondContact O-CD1 3.42Å; V71-I90 HydrophobicContact CB-CD1 3.97Å; V71-I90 HydrophobicContact CG1-CD1 3.49Å; V71-I90 VanDerWaalsContact CG1-CD1 3.49Å; V71-I90 HydrophobicContact CG1-CG1 3.95Å; V71-I90 HydrophobicContact CG2-CD1 4.24Å; V71-F127 HydrophobicContact CB-CE2 4.21Å; V71-F127 HydrophobicContact CG1-CD2 4.3Å; V71-F127 HydrophobicContact CG1-CE2 4.33Å; V71-F127 HydrophobicContact CG2-CD2 4.16Å; V71-F127 HydrophobicContact CG2-CE2 3.76Å; V71-F127 HydrophobicContact CG2-CZ 3.99Å
72	F	73.4	Confident	76.3	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.009	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-98	4.6	177.2	-72.7	-82.4	0	0	0	113.8	T31 P32 T68 W69 P70 G74 L75 K83 A86 I87	T31-F72 HydrophobicContact CG2-CD2 4.15Å; T31-F72 HydrophobicContact CG2-CE1 3.92Å; T31-F72 HydrophobicContact CG2-CE2 3.49Å; T31-F72 VanDerWaalsContact CG2-CE2 3.49Å; T31-F72 HydrophobicContact CG2-CZ 3.36Å; P32-F72 HydrophobicContact CB-CB 3.42Å; P32-F72 VanDerWaalsContact CB-CB 3.42Å; P32-F72 HydrophobicContact CB-CD1 3.83Å; P32-F72 HydrophobicContact CB-CD2 4.08Å; P32-F72 HydrophobicContact CB-CG 3.5Å; T68-F72 HydrophobicContact CG2-CB 4.28Å; W69-F72 HydrophobicContact CB-CD2 4.12Å; W69-F72 HydrophobicContact CD2-CD2 4.17Å; W69-F72 HydrophobicContact CD2-CE2 4.38Å; W69-F72 AromaticContact CE3-CD2 3.83Å; W69-F72 HydrophobicContact CE3-CD2 3.83Å; W69-F72 AromaticContact CE3-CE2 3.75Å; W69-F72 HydrophobicContact CE3-CE2 3.75Å; W69-F72 HydrophobicContact CG-CD2 4.31Å; W69-F72 HydrophobicContact CZ3-CE2 4.1Å; W69-F72 WeakPolarHBondContact O-CA 3.34Å; W69-F72 PolarHBondContact O-N 3.39Å; P70-F72 VanDerWaalsContact C-N 3.25Å; P70-F72 PolarHBondContact O-N 2.84Å; F72-G74 PolarHBondContact O-N 3.31Å; F72-G74 VanDerWaalsContact O-N 3.14Å; F72-L75 HydrophobicContact CD1-CB 4.28Å; F72-L75 WeakPolarHBondContact O-CA 3.36Å; F72-L75 WeakPolarHBondContact O-CB 3.29Å; F72-L75 PolarHBondContact O-N 2.99Å; F72-K83 HydrophobicContact CE1-CB 4.41Å; F72-K83 HydrophobicContact CE1-CG 4.05Å; F72-A86 HydrophobicContact CE1-CB 3.75Å; F72-A86 HydrophobicContact CZ-CB 3.83Å; F72-I87 HydrophobicContact CZ-CG1 4.08Å
73	A	69.6	Low	76.2	Confident	26 Å²	26	49.2 Å²	49.2	22%	0.215	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	118.4	175.7	0	0	0	0	0	109.8	W69 P70 N123	W69-A73 PolarHBondContact O-N 2.96Å; P70-A73 WeakPolarHBondContact O-CB 3.39Å; P70-A73 PolarHBondContact O-N 3.09Å; A73-N123 PolarHBondContact O-ND2 3.41Å; A73-N123 VanDerWaalsContact O-ND2 3.07Å
74	G	67.1	Low	76.1	Confident	59 Å²	59	46.9 Å²	46.9	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-4.2	-173.3	0	0	0	0	0	115.7	F72	F72-G74 PolarHBondContact O-N 3.31Å; F72-G74 VanDerWaalsContact O-N 3.14Å
75	L	67.3	Low	75.7	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	27%	0.268	C	S	.	.			trans	-117.4	12.4	-176	-61.1	155.7	0	0	0	112.8	V71 F72 N77 C78 V116 Y120	V71-L75 VanDerWaalsContact O-CD1 3.23Å; V71-L75 WeakPolarHBondContact O-CD1 3.42Å; F72-L75 HydrophobicContact CD1-CB 4.28Å; F72-L75 WeakPolarHBondContact O-CA 3.36Å; F72-L75 WeakPolarHBondContact O-CB 3.29Å; F72-L75 PolarHBondContact O-N 2.99Å; L75-N77 PolarHBondContact O-N 2.95Å; L75-N77 VanDerWaalsContact O-N 3.11Å; L75-C78 PolarHBondContact O-N 3.44Å; L75-C78 VanDerWaalsContact O-N 3.17Å; L75-C78 PolarHBondContact O-SG 3.39Å; L75-V116 HydrophobicContact CD2-CG1 3.61Å; L75-V116 VanDerWaalsContact CD2-O 3.29Å; L75-V116 WeakPolarHBondContact CD2-O 3.48Å; L75-Y120 HydrophobicContact CD1-CD2 3.5Å; L75-Y120 VanDerWaalsContact CD1-CD2 3.5Å; L75-Y120 HydrophobicContact CD1-CE2 4.27Å; L75-Y120 HydrophobicContact CD1-CG 4.39Å; L75-Y120 VanDerWaalsContact CD2-CB 3.5Å; L75-Y120 HydrophobicContact CD2-CD2 3.98Å; L75-Y120 HydrophobicContact CD2-CG 4.22Å; L75-Y120 HydrophobicContact CG-CD2 4.3Å
76	E	71.7	Confident	75.2	Confident	45 Å²	45	45.2 Å²	45.2	21%	0.21	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.1	-173.2	-62.9	-179.6	172.2	0	0	112.5	Y33 T68 K83	Y33-E76 HydrophobicContact CE1-CG 4.22Å; T68-E76 WeakPolarHBondContact CB-OE1 3.46Å; T68-E76 HydrophobicContact CG2-CG 3.86Å; T68-E76 WeakPolarHBondContact CG2-OE1 3.28Å; T68-E76 PolarHBondContact OG1-OE1 3.49Å; E76-K83 WeakPolarHBondContact O-CE 2.94Å; E76-K83 PolarHBondContact O-NZ 3.06Å
77	N	72.6	Confident	74.8	Confident	154 Å²	154	44.4 Å²	44.4	82%	0.824	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	8.1	-173.4	-63.4	-27.3	0	0	0	114.3	L75	L75-N77 PolarHBondContact O-N 2.95Å; L75-N77 VanDerWaalsContact O-N 3.11Å
78	C	69.6	Low	74.6	Confident	19 Å²	19	47.4 Å²	47.4	13%	0.128	28%	0.282	C	S	.	.			trans	-64.4	154.6	176.6	-54.5	0	0	0	0	112	L75 C82 K83 V116	L75-C78 PolarHBondContact O-N 3.44Å; L75-C78 VanDerWaalsContact O-N 3.17Å; L75-C78 PolarHBondContact O-SG 3.39Å; C78-C82 HydrophobicContact CB-CB 3.89Å; C78-K83 HydrophobicContact CB-CG 4.3Å; C78-K83 VanDerWaalsContact O-CE 3.29Å; C78-K83 WeakPolarHBondContact O-CE 3.42Å; C78-K83 PolarHBondContact O-NZ 3.49Å; C78-V116 WeakPolarHBondContact SG-CG1 3.36Å
79	D	77.2	Confident	74.4	Confident	82 Å²	82	47.5 Å²	47.5	44%	0.439	28%	0.282	S	S	.	.			trans	-57.8	160.9	166.2	58	-61.7	0	0	0	112.1	E81 C82 K83	D79-E81 VanDerWaalsContact C-N 3.26Å; D79-E81 PolarHBondContact O-N 3.33Å; D79-C82 VanDerWaalsContact CG-SG 3.56Å; D79-C82 PolarHBondContact O-N 3.03Å; D79-C82 VanDerWaalsContact OD1-CB 3.23Å; D79-C82 WeakPolarHBondContact OD1-CB 3.49Å; D79-C82 PolarHBondContact OD1-SG 3.45Å; D79-C82 PolarHBondContact OD2-N 3.36Å; D79-C82 PolarHBondContact OD2-SG 2.91Å; D79-C82 VanDerWaalsContact OD2-SG 3.36Å; D79-K83 PolarHBondContact O-N 2.79Å
80	S	77.9	Confident	74.4	Confident	99 Å²	99	46.9 Å²	46.9	69%	0.692	28%	0.28	S	S	*	.	H	α-helix	trans	-66.4	-30.2	-176.3	-167.4	0	0	0	0	112.5	K83 S84	S80-K83 PolarHBondContact O-N 3.4Å; S80-S84 PolarHBondContact O-N 3Å; S80-S84 PolarHBondContact O-OG 3.02Å
81	E	75.5	Confident	74.7	Confident	152 Å²	152	44.7 Å²	44.7	71%	0.71	26%	0.264	S	S	*	.	H	α-helix	trans	-71.6	-44.2	179	-63.2	179.1	-177.4	0	0	110.7	D79 K83 S84 A85	D79-E81 VanDerWaalsContact C-N 3.26Å; D79-E81 PolarHBondContact O-N 3.33Å; E81-K83 VanDerWaalsContact C-N 3.3Å; E81-K83 PolarHBondContact O-N 2.93Å; E81-S84 WeakPolarHBondContact CA-OG 3.45Å; E81-S84 PolarHBondContact O-N 3.42Å; E81-S84 PolarHBondContact O-OG 3.14Å; E81-A85 WeakPolarHBondContact O-CB 3.25Å; E81-A85 PolarHBondContact O-N 3.34Å
82	C	72.4	Confident	75.4	Confident	31 Å²	31	46.4 Å²	46.4	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-37.2	171.6	-73	0	0	0	0	112.5	C78 D79 A86	C78-C82 HydrophobicContact CB-CB 3.89Å; D79-C82 VanDerWaalsContact CG-SG 3.56Å; D79-C82 PolarHBondContact O-N 3.03Å; D79-C82 VanDerWaalsContact OD1-CB 3.23Å; D79-C82 WeakPolarHBondContact OD1-CB 3.49Å; D79-C82 PolarHBondContact OD1-SG 3.45Å; D79-C82 PolarHBondContact OD2-N 3.36Å; D79-C82 PolarHBondContact OD2-SG 2.91Å; D79-C82 VanDerWaalsContact OD2-SG 3.36Å; C82-A86 WeakPolarHBondContact O-CB 3.48Å; C82-A86 PolarHBondContact O-N 3.35Å
83	K	76	Confident	75.4	Confident	45 Å²	45	47.4 Å²	47.4	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-67.2	-37.8	175.6	-77.7	169.2	174.4	150.9	0	112.9	F72 E76 C78 D79 S80 E81 A86 I87	F72-K83 HydrophobicContact CE1-CB 4.41Å; F72-K83 HydrophobicContact CE1-CG 4.05Å; E76-K83 WeakPolarHBondContact O-CE 2.94Å; E76-K83 PolarHBondContact O-NZ 3.06Å; C78-K83 HydrophobicContact CB-CG 4.3Å; C78-K83 VanDerWaalsContact O-CE 3.29Å; C78-K83 WeakPolarHBondContact O-CE 3.42Å; C78-K83 PolarHBondContact O-NZ 3.49Å; D79-K83 PolarHBondContact O-N 2.79Å; S80-K83 PolarHBondContact O-N 3.4Å; E81-K83 VanDerWaalsContact C-N 3.3Å; E81-K83 PolarHBondContact O-N 2.93Å; K83-A86 WeakPolarHBondContact O-CB 3.44Å; K83-A86 PolarHBondContact O-N 3.34Å; K83-I87 WeakPolarHBondContact O-CG1 3.47Å; K83-I87 PolarHBondContact O-N 3.03Å; K83-I87 VanDerWaalsContact O-N 3.16Å
84	S	80.5	Confident	75.7	Confident	55 Å²	55	48.2 Å²	48.2	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-70	-47.1	175.3	57.3	0	0	0	0	111.2	S80 E81 A86 I87 D88	S80-S84 PolarHBondContact O-N 3Å; S80-S84 PolarHBondContact O-OG 3.02Å; E81-S84 WeakPolarHBondContact CA-OG 3.45Å; E81-S84 PolarHBondContact O-N 3.42Å; E81-S84 PolarHBondContact O-OG 3.14Å; S84-A86 PolarHBondContact O-N 3.47Å; S84-I87 WeakPolarHBondContact O-CB 3.49Å; S84-I87 PolarHBondContact O-N 2.97Å; S84-D88 VanDerWaalsContact O-CG 3.28Å; S84-D88 PolarHBondContact O-N 2.9Å
85	A	77.6	Confident	76.3	Confident	11 Å²	11	47 Å²	47	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-32.8	174.6	0	0	0	0	0	111.5	E81 D88 F89 V104 I108	E81-A85 WeakPolarHBondContact O-CB 3.25Å; E81-A85 PolarHBondContact O-N 3.34Å; A85-D88 PolarHBondContact O-N 3.21Å; A85-F89 WeakPolarHBondContact O-CB 3.39Å; A85-F89 PolarHBondContact O-N 3.21Å; A85-V104 HydrophobicContact CB-CG1 4.02Å; A85-V104 WeakPolarHBondContact O-CG1 3.37Å; A85-I108 HydrophobicContact CB-CD1 3.81Å; A85-I108 HydrophobicContact CB-CG1 3.58Å
86	A	76.3	Confident	76.5	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-46.1	174.2	0	0	0	0	0	113.4	F72 C82 K83 S84 I90 Y120	F72-A86 HydrophobicContact CE1-CB 3.75Å; F72-A86 HydrophobicContact CZ-CB 3.83Å; C82-A86 WeakPolarHBondContact O-CB 3.48Å; C82-A86 PolarHBondContact O-N 3.35Å; K83-A86 WeakPolarHBondContact O-CB 3.44Å; K83-A86 PolarHBondContact O-N 3.34Å; S84-A86 PolarHBondContact O-N 3.47Å; A86-I90 VanDerWaalsContact O-CD1 3.3Å; A86-I90 WeakPolarHBondContact O-CD1 3.47Å; A86-I90 WeakPolarHBondContact O-CG1 3.45Å; A86-I90 PolarHBondContact O-N 2.92Å; A86-I90 VanDerWaalsContact O-N 3.13Å; A86-Y120 WeakPolarHBondContact CA-OH 3.32Å; A86-Y120 HydrophobicContact CB-CD2 4.17Å; A86-Y120 HydrophobicContact CB-CE2 3.24Å
87	I	80	Confident	76.9	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.205	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-45.9	175.8	-68.5	165.1	0	0	0	110.3	F4 T31 F72 K83 S84 F89 I90 I91	F4-I87 HydrophobicContact CE1-CG2 4.09Å; T31-I87 HydrophobicContact CG2-CD1 3.92Å; T31-I87 HydrophobicContact CG2-CG1 4.36Å; F72-I87 HydrophobicContact CZ-CG1 4.08Å; K83-I87 WeakPolarHBondContact O-CG1 3.47Å; K83-I87 PolarHBondContact O-N 3.03Å; K83-I87 VanDerWaalsContact O-N 3.16Å; S84-I87 WeakPolarHBondContact O-CB 3.49Å; S84-I87 PolarHBondContact O-N 2.97Å; I87-F89 VanDerWaalsContact C-N 3.34Å; I87-F89 PolarHBondContact O-N 3.38Å; I87-I90 PolarHBondContact O-N 3.39Å; I87-I90 VanDerWaalsContact O-N 3.15Å; I87-I91 HydrophobicContact CG2-CD1 3.57Å; I87-I91 HydrophobicContact CG2-CG1 4.18Å; I87-I91 VanDerWaalsContact O-CG1 3.3Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 2.85Å
88	D	80.5	Confident	76.8	Confident	72 Å²	72	46.1 Å²	46.1	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-42.8	-178.6	-64.4	-22.2	0	0	0	111.1	S84 A85 I90 I91 H92 V104	S84-D88 VanDerWaalsContact O-CG 3.28Å; S84-D88 PolarHBondContact O-N 2.9Å; A85-D88 PolarHBondContact O-N 3.21Å; D88-I90 PolarHBondContact O-N 3.29Å; D88-I91 PolarHBondContact O-N 2.96Å; D88-H92 PolarHBondContact O-CD2 3.32Å; D88-H92 PolarHBondContact O-N 3.35Å; D88-V104 HydrophobicContact CB-CG1 4.01Å; D88-V104 HydrophobicContact CB-CG2 4.07Å
89	F	79	Confident	77	Confident	9 Å²	9	50.8 Å²	50.8	4%	0.039	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-48	173.7	172	-100.3	0	0	0	111.7	A85 I87 I91 H92 S93 A101 V104 I105 Y120 S124	A85-F89 WeakPolarHBondContact O-CB 3.39Å; A85-F89 PolarHBondContact O-N 3.21Å; I87-F89 VanDerWaalsContact C-N 3.34Å; I87-F89 PolarHBondContact O-N 3.38Å; F89-I91 VanDerWaalsContact C-N 3.33Å; F89-I91 PolarHBondContact O-N 3.24Å; F89-H92 PolarHBondContact O-N 3.39Å; F89-S93 VanDerWaalsContact O-CB 3.26Å; F89-S93 WeakPolarHBondContact O-CB 3.5Å; F89-S93 PolarHBondContact O-N 2.86Å; F89-A101 HydrophobicContact CD2-CB 3.71Å; F89-A101 WeakPolarHBondContact CD2-O 3.45Å; F89-A101 HydrophobicContact CE2-CB 3.65Å; F89-V104 HydrophobicContact CB-CB 4.5Å; F89-V104 HydrophobicContact CB-CG1 4.02Å; F89-I105 HydrophobicContact CD2-CD1 3.44Å; F89-I105 VanDerWaalsContact CD2-CD1 3.44Å; F89-I105 HydrophobicContact CD2-CG1 3.45Å; F89-I105 VanDerWaalsContact CD2-CG1 3.45Å; F89-I105 HydrophobicContact CE1-CD1 4.48Å; F89-I105 HydrophobicContact CE2-CD1 3.12Å; F89-I105 HydrophobicContact CE2-CG1 3.74Å; F89-I105 HydrophobicContact CG-CD1 4.23Å; F89-I105 HydrophobicContact CG-CG1 4.08Å; F89-I105 HydrophobicContact CZ-CD1 3.71Å; F89-Y120 WeakPolarHBondContact CB-OH 3.44Å; F89-Y120 WeakPolarHBondContact CD1-OH 3.32Å; F89-S124 VanDerWaalsContact CE1-CB 3.47Å
90	I	78.4	Confident	77	Confident	9 Å²	9	49.8 Å²	49.8	5%	0.046	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-44	179.4	-64.5	160.8	0	0	0	110	F4 Q14 V71 A86 I87 D88 S93 T94	F4-I90 HydrophobicContact CE2-CB 4.47Å; F4-I90 HydrophobicContact CE2-CG2 3.43Å; F4-I90 VanDerWaalsContact CE2-CG2 3.43Å; F4-I90 HydrophobicContact CZ-CB 4.32Å; F4-I90 HydrophobicContact CZ-CG2 3.63Å; Q14-I90 HydrophobicContact CG-CG2 3.92Å; Q14-I90 VanDerWaalsContact NE2-CG2 3.26Å; V71-I90 HydrophobicContact CB-CD1 3.97Å; V71-I90 HydrophobicContact CG1-CD1 3.49Å; V71-I90 VanDerWaalsContact CG1-CD1 3.49Å; V71-I90 HydrophobicContact CG1-CG1 3.95Å; V71-I90 HydrophobicContact CG2-CD1 4.24Å; A86-I90 VanDerWaalsContact O-CD1 3.3Å; A86-I90 WeakPolarHBondContact O-CD1 3.47Å; A86-I90 WeakPolarHBondContact O-CG1 3.45Å; A86-I90 PolarHBondContact O-N 2.92Å; A86-I90 VanDerWaalsContact O-N 3.13Å; I87-I90 PolarHBondContact O-N 3.39Å; I87-I90 VanDerWaalsContact O-N 3.15Å; D88-I90 PolarHBondContact O-N 3.29Å; I90-S93 PolarHBondContact O-N 3.41Å; I90-T94 WeakPolarHBondContact O-CB 3.2Å; I90-T94 PolarHBondContact O-N 2.66Å; I90-T94 PolarHBondContact O-OG1 3.41Å
91	I	79.6	Confident	76.8	Confident	22 Å²	22	45.1 Å²	45.1	11%	0.113	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-52	178.4	-72	168.6	0	0	0	110.1	F4 T6 L12 I87 D88 F89 S93 T94 A95	F4-I91 HydrophobicContact CB-CG1 4.27Å; F4-I91 HydrophobicContact CD1-CD1 4.18Å; F4-I91 HydrophobicContact CD1-CG1 3.81Å; F4-I91 HydrophobicContact CD2-CG1 4.33Å; F4-I91 HydrophobicContact CE1-CG1 4.17Å; F4-I91 HydrophobicContact CG-CG1 3.89Å; T6-I91 HydrophobicContact CG2-CD1 3.95Å; T6-I91 HydrophobicContact CG2-CG1 4.42Å; T6-I91 HydrophobicContact CG2-CG2 3.9Å; L12-I91 HydrophobicContact CD1-CG2 4.28Å; I87-I91 HydrophobicContact CG2-CD1 3.57Å; I87-I91 HydrophobicContact CG2-CG1 4.18Å; I87-I91 VanDerWaalsContact O-CG1 3.3Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 2.85Å; D88-I91 PolarHBondContact O-N 2.96Å; F89-I91 VanDerWaalsContact C-N 3.33Å; F89-I91 PolarHBondContact O-N 3.24Å; I91-S93 PolarHBondContact O-N 3.44Å; I91-T94 PolarHBondContact O-N 3.12Å; I91-A95 WeakPolarHBondContact O-CB 3.23Å; I91-A95 PolarHBondContact O-N 3.07Å
92	H	80.7	Confident	76.3	Confident	39 Å²	39	40.2 Å²	40.2	18%	0.181	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-38.2	-179.9	-70.6	-59.3	0	0	0	112.6	D88 F89 A95 G96 D97 E100 A101	D88-H92 PolarHBondContact O-CD2 3.32Å; D88-H92 PolarHBondContact O-N 3.35Å; F89-H92 PolarHBondContact O-N 3.39Å; H92-A95 PolarHBondContact O-N 3.35Å; H92-G96 PolarHBondContact O-N 3.32Å; H92-G96 VanDerWaalsContact O-N 3.1Å; H92-D97 PolarHBondContact O-N 2.93Å; H92-E100 HydrophobicContact CB-CB 4.21Å; H92-E100 WeakPolarHBondContact ND1-CB 3.31Å; H92-A101 HydrophobicContact CB-CB 3.79Å
93	S	74.8	Confident	76.5	Confident	24 Å²	24	44.2 Å²	44.2	17%	0.168	25%	0.25	C	S	.	.	H	α-helix	trans	-62.7	-42.2	173.6	-171.3	0	0	0	0	111.6	F89 I90 I91 A95 G96	F89-S93 VanDerWaalsContact O-CB 3.26Å; F89-S93 WeakPolarHBondContact O-CB 3.5Å; F89-S93 PolarHBondContact O-N 2.86Å; I90-S93 PolarHBondContact O-N 3.41Å; I91-S93 PolarHBondContact O-N 3.44Å; S93-A95 VanDerWaalsContact C-N 3.34Å; S93-G96 PolarHBondContact O-N 3.21Å
94	T	75.2	Confident	76.4	Confident	43 Å²	43	42.9 Å²	42.9	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-71.5	-31.3	178.7	-42.3	0	0	0	0	111.4	L12 V13 Q14 I90 I91 G96	L12-T94 HydrophobicContact CB-CG2 4.1Å; V13-T94 WeakPolarHBondContact O-CG2 3.2Å; Q14-T94 HydrophobicContact CB-CG2 4.32Å; I90-T94 WeakPolarHBondContact O-CB 3.2Å; I90-T94 PolarHBondContact O-N 2.66Å; I90-T94 PolarHBondContact O-OG1 3.41Å; I91-T94 PolarHBondContact O-N 3.12Å; T94-G96 PolarHBondContact O-N 2.9Å
95	A	78.5	Confident	75.7	Confident	34 Å²	34	40.9 Å²	40.9	28%	0.281	23%	0.231	S	C	.	.	H	α-helix	trans	-75.2	-12	174.3	0	0	0	0	0	113.4	H9 L12 I91 H92 S93 D97	H9-A95 WeakPolarHBondContact NE2-CB 3.29Å; L12-A95 HydrophobicContact CD1-CB 3.88Å; L12-A95 HydrophobicContact CD2-CB 4.4Å; I91-A95 WeakPolarHBondContact O-CB 3.23Å; I91-A95 PolarHBondContact O-N 3.07Å; H92-A95 PolarHBondContact O-N 3.35Å; S93-A95 VanDerWaalsContact C-N 3.34Å; A95-D97 VanDerWaalsContact C-N 3.28Å
96	G	73.2	Confident	75.1	Confident	55 Å²	55	49.1 Å²	49.1	57%	0.567	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	7.5	-173.6	0	0	0	0	0	114.4	H92 S93 T94 M98	H92-G96 PolarHBondContact O-N 3.32Å; H92-G96 VanDerWaalsContact O-N 3.1Å; S93-G96 PolarHBondContact O-N 3.21Å; T94-G96 PolarHBondContact O-N 2.9Å; G96-M98 VanDerWaalsContact C-N 3.29Å; G96-M98 PolarHBondContact O-N 3.3Å
97	D	78.4	Confident	74.7	Confident	59 Å²	59	52.9 Å²	52.9	32%	0.316	29%	0.286	S	S	.	.			trans	-85.6	72.4	175.4	-163.3	-13.4	0	0	0	110.8	H92 A95 N99 E100 A101	H92-D97 PolarHBondContact O-N 2.93Å; A95-D97 VanDerWaalsContact C-N 3.28Å; D97-N99 PolarHBondContact O-N 3Å; D97-N99 VanDerWaalsContact O-N 3.15Å; D97-N99 PolarHBondContact OD1-N 2.62Å; D97-E100 HydrophobicContact CB-CB 4.48Å; D97-E100 PolarHBondContact O-N 3.25Å; D97-E100 PolarHBondContact OD1-N 2.9Å; D97-E100 WeakPolarHBondContact OD2-CG 3.45Å; D97-A101 PolarHBondContact O-N 2.65Å
98	M	71.2	Confident	74	Confident	66 Å²	66	51.8 Å²	51.8	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-24.9	-177.7	-64.9	-60.9	-71.8	0	0	112.8	G96 L102	G96-M98 VanDerWaalsContact C-N 3.29Å; G96-M98 PolarHBondContact O-N 3.3Å; M98-L102 WeakPolarHBondContact O-CB 3.34Å; M98-L102 WeakPolarHBondContact O-CG 3.45Å; M98-L102 PolarHBondContact O-N 3.48Å
99	N	73.1	Confident	72.7	Confident	117 Å²	117	56.5 Å²	56.5	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-70.2	-46	178.8	-69.9	-35.9	0	0	0	111.4	D97 L102 K103	D97-N99 PolarHBondContact O-N 3Å; D97-N99 VanDerWaalsContact O-N 3.15Å; D97-N99 PolarHBondContact OD1-N 2.62Å; N99-L102 PolarHBondContact O-N 3.39Å; N99-K103 WeakPolarHBondContact O-CG 3.35Å; N99-K103 PolarHBondContact O-N 3.2Å
100	E	77.5	Confident	71.4	Confident	62 Å²	62	64.9 Å²	64.9	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-37.6	174.4	-67.5	-53.5	134.9	0	0	111.4	H92 D97 L102 K103 V104	H92-E100 HydrophobicContact CB-CB 4.21Å; H92-E100 WeakPolarHBondContact ND1-CB 3.31Å; D97-E100 HydrophobicContact CB-CB 4.48Å; D97-E100 PolarHBondContact O-N 3.25Å; D97-E100 PolarHBondContact OD1-N 2.9Å; D97-E100 WeakPolarHBondContact OD2-CG 3.45Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.19Å; E100-K103 WeakPolarHBondContact O-CB 3.5Å; E100-K103 PolarHBondContact O-N 2.93Å; E100-K103 VanDerWaalsContact O-N 3.11Å; E100-K103 WeakPolarHBondContact OE1-CD 3.4Å; E100-K103 IonicContact OE1-NZ 2.7Å; E100-K103 PolarHBondContact OE1-NZ 3.4Å; E100-K103 WeakPolarHBondContact OE2-CD 3.3Å; E100-K103 IonicContact OE2-NZ 3.45Å; E100-V104 WeakPolarHBondContact O-CG2 3.09Å; E100-V104 PolarHBondContact O-N 3.34Å
101	A	73.4	Confident	69.9	Low	1 Å²	1	69.5 Å²	69.5	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-57.1	-46.6	173.8	0	0	0	0	0	111.6	F89 H92 D97 K103 V104 I105	F89-A101 HydrophobicContact CD2-CB 3.71Å; F89-A101 WeakPolarHBondContact CD2-O 3.45Å; F89-A101 HydrophobicContact CE2-CB 3.65Å; H92-A101 HydrophobicContact CB-CB 3.79Å; D97-A101 PolarHBondContact O-N 2.65Å; A101-K103 PolarHBondContact O-N 3.02Å; A101-V104 PolarHBondContact O-N 3.44Å; A101-I105 PolarHBondContact O-N 3.47Å
102	L	66.7	Low	68.3	Low	48 Å²	48	78 Å²	78	25%	0.251	39%	0.392	S	S	.	.	H	α-helix	trans	-65.4	-35.9	176.1	-73.6	169.1	0	0	0	112.7	M98 N99 E100 I105 R106	M98-L102 WeakPolarHBondContact O-CB 3.34Å; M98-L102 WeakPolarHBondContact O-CG 3.45Å; M98-L102 PolarHBondContact O-N 3.48Å; N99-L102 PolarHBondContact O-N 3.39Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.19Å; L102-I105 PolarHBondContact O-N 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.34Å; L102-R106 WeakPolarHBondContact O-CG 3.27Å; L102-R106 PolarHBondContact O-N 3.03Å
103	K	75.5	Confident	66.4	Low	115 Å²	115	81.5 Å²	81.5	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-63.9	-42.3	174.3	-75.1	171.1	-178	175.3	0	111.7	N99 E100 A101 R106 S107	N99-K103 WeakPolarHBondContact O-CG 3.35Å; N99-K103 PolarHBondContact O-N 3.2Å; E100-K103 WeakPolarHBondContact O-CB 3.5Å; E100-K103 PolarHBondContact O-N 2.93Å; E100-K103 VanDerWaalsContact O-N 3.11Å; E100-K103 WeakPolarHBondContact OE1-CD 3.4Å; E100-K103 IonicContact OE1-NZ 2.7Å; E100-K103 PolarHBondContact OE1-NZ 3.4Å; E100-K103 WeakPolarHBondContact OE2-CD 3.3Å; E100-K103 IonicContact OE2-NZ 3.45Å; A101-K103 PolarHBondContact O-N 3.02Å; K103-R106 PolarHBondContact O-N 3.45Å; K103-S107 PolarHBondContact O-N 3.38Å
104	V	73.3	Confident	64.9	Low	17 Å²	17	82.1 Å²	82.1	10%	0.103	43%	0.426	C	S	.	.	H	α-helix	trans	-62.3	-46.3	176.7	174.5	0	0	0	0	110.6	A85 D88 F89 E100 A101 R106 S107 I108	A85-V104 HydrophobicContact CB-CG1 4.02Å; A85-V104 WeakPolarHBondContact O-CG1 3.37Å; D88-V104 HydrophobicContact CB-CG1 4.01Å; D88-V104 HydrophobicContact CB-CG2 4.07Å; F89-V104 HydrophobicContact CB-CB 4.5Å; F89-V104 HydrophobicContact CB-CG1 4.02Å; E100-V104 WeakPolarHBondContact O-CG2 3.09Å; E100-V104 PolarHBondContact O-N 3.34Å; A101-V104 PolarHBondContact O-N 3.44Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 3.36Å; V104-S107 PolarHBondContact O-N 3.32Å; V104-S107 VanDerWaalsContact O-N 3.09Å; V104-S107 PolarHBondContact O-OG 3.02Å; V104-I108 PolarHBondContact O-N 3.43Å
105	I	66.9	Low	63.7	Low	14 Å²	14	84.8 Å²	84.8	7%	0.072	45%	0.446	C	S	.	.	H	α-helix	trans	-58.1	-43.7	174.8	-72.9	177.8	0	0	0	111.4	F89 A101 L102 S107 I108 L121	F89-I105 HydrophobicContact CD2-CD1 3.44Å; F89-I105 VanDerWaalsContact CD2-CD1 3.44Å; F89-I105 HydrophobicContact CD2-CG1 3.45Å; F89-I105 VanDerWaalsContact CD2-CG1 3.45Å; F89-I105 HydrophobicContact CE1-CD1 4.48Å; F89-I105 HydrophobicContact CE2-CD1 3.12Å; F89-I105 HydrophobicContact CE2-CG1 3.74Å; F89-I105 HydrophobicContact CG-CD1 4.23Å; F89-I105 HydrophobicContact CG-CG1 4.08Å; F89-I105 HydrophobicContact CZ-CD1 3.71Å; A101-I105 PolarHBondContact O-N 3.47Å; L102-I105 PolarHBondContact O-N 3.31Å; I105-S107 PolarHBondContact O-N 3.49Å; I105-I108 PolarHBondContact O-N 3.25Å; I105-L121 HydrophobicContact CG2-CD1 4.08Å; I105-L121 HydrophobicContact CG2-CD2 4.27Å; I105-L121 HydrophobicContact CG2-CG 4.12Å
106	R	65	Low	62.1	Low	183 Å²	183	85.4 Å²	85.4	69%	0.691	45%	0.446	S	S	*	.	H	α-helix	trans	-66.8	-25.5	179	-72.5	170.9	-175.9	178.9	3.1	113.2	L102 K103 V104	L102-R106 WeakPolarHBondContact O-CB 3.34Å; L102-R106 WeakPolarHBondContact O-CG 3.27Å; L102-R106 PolarHBondContact O-N 3.03Å; K103-R106 PolarHBondContact O-N 3.45Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 3.36Å
107	S	66.9	Low	60.9	Low	81 Å²	81	83.6 Å²	83.6	57%	0.566	43%	0.425	S	S	*	.	H	α-helix	trans	-78.4	-21.3	179.4	77.2	0	0	0	0	113.6	K103 V104 I105 K109	K103-S107 PolarHBondContact O-N 3.38Å; V104-S107 PolarHBondContact O-N 3.32Å; V104-S107 VanDerWaalsContact O-N 3.09Å; V104-S107 PolarHBondContact O-OG 3.02Å; I105-S107 PolarHBondContact O-N 3.49Å; S107-K109 PolarHBondContact O-N 2.72Å
108	I	65.3	Low	59.7	Low	18 Å²	18	86.8 Å²	86.8	9%	0.092	44%	0.442	C	S	.	.	S	Bend	trans	-68.6	107.4	175	-61.3	170	0	0	0	107.3	A85 V104 I105 R110 Y120	A85-I108 HydrophobicContact CB-CD1 3.81Å; A85-I108 HydrophobicContact CB-CG1 3.58Å; V104-I108 PolarHBondContact O-N 3.43Å; I105-I108 PolarHBondContact O-N 3.25Å; I108-R110 PolarHBondContact O-N 2.91Å; I108-Y120 HydrophobicContact CD1-CD1 3.74Å; I108-Y120 HydrophobicContact CD1-CE1 3.39Å
109	K	54.7	Low	58.8	Low	170 Å²	170	85.5 Å²	85.5	74%	0.739	44%	0.442	S	S	*	.			trans	-51.3	118.3	178.9	-78	179.1	179.1	170.8	0	109.1	S107 D111	S107-K109 PolarHBondContact O-N 2.72Å; K109-D111 PolarHBondContact O-N 3.24Å
110	R	51.7	Low	57.8	Low	186 Å²	186	80.4 Å²	80.4	70%	0.702	41%	0.414	S	S	*	.			trans	-68.6	74.6	168.1	-71.2	-179.4	176.3	170	-2.6	108.2	I108 E112	I108-R110 PolarHBondContact O-N 2.91Å; R110-E112 VanDerWaalsContact C-N 3.31Å; R110-E112 PolarHBondContact O-N 3.14Å
111	D	47.2	Very low	56.7	Low	106 Å²	106	78.9 Å²	78.9	57%	0.567	41%	0.408	S	S	*	.			trans	-70.9	100.4	160.5	-84.4	-4.8	0	0	0	105.9	K109 S113 S114	K109-D111 PolarHBondContact O-N 3.24Å; D111-S113 PolarHBondContact O-N 2.99Å; D111-S114 WeakPolarHBondContact O-CB 3.41Å; D111-S114 PolarHBondContact O-N 2.9Å
112	E	45	Very low	55.9	Low	199 Å²	199	80 Å²	80	93%	0.93	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-6.6	-176.8	-63.1	-177.4	157.1	0	0	113.9	R110	R110-E112 VanDerWaalsContact C-N 3.31Å; R110-E112 PolarHBondContact O-N 3.14Å
113	S	40.7	Very low	55.3	Low	114 Å²	114	79.8 Å²	79.8	80%	0.797	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.2	178.5	46.9	0	0	0	0	114.5	D111	D111-S113 PolarHBondContact O-N 2.99Å
114	S	43.6	Very low	54.1	Low	37 Å²	37	74.4 Å²	74.4	26%	0.259	40%	0.395	S	S	.	.			trans	-103.3	97.7	-176	166.2	0	0	0	0	110.7	D111 V116 S117	D111-S114 WeakPolarHBondContact O-CB 3.41Å; D111-S114 PolarHBondContact O-N 2.9Å; S114-V116 PolarHBondContact O-N 3.24Å; S114-V116 WeakPolarHBondContact OG-CB 3.31Å; S114-V116 PolarHBondContact OG-N 3.49Å; S114-S117 PolarHBondContact O-N 3.15Å; S114-S117 PolarHBondContact OG-N 3.37Å; S114-S117 VanDerWaalsContact OG-N 3.08Å; S114-S117 PolarHBondContact OG-OG 3.24Å
115	S	49.6	Very low	53.3	Low	99 Å²	99	73.7 Å²	73.7	69%	0.692	39%	0.391	S	S	*	.	H	α-helix	trans	-51.4	-21.5	166.1	55.9	0	0	0	0	112.8	A119	S115-A119 WeakPolarHBondContact O-CB 3.49Å; S115-A119 PolarHBondContact O-N 3.1Å; S115-A119 VanDerWaalsContact O-N 3.14Å
116	V	44.9	Very low	52.8	Low	46 Å²	46	80 Å²	80	28%	0.279	41%	0.413	S	S	.	.	H	α-helix	trans	-72.9	-37.3	-178.9	-169.4	0	0	0	0	111.5	L75 C78 S114 A119 Y120	L75-V116 HydrophobicContact CD2-CG1 3.61Å; L75-V116 VanDerWaalsContact CD2-O 3.29Å; L75-V116 WeakPolarHBondContact CD2-O 3.48Å; C78-V116 WeakPolarHBondContact SG-CG1 3.36Å; S114-V116 PolarHBondContact O-N 3.24Å; S114-V116 WeakPolarHBondContact OG-CB 3.31Å; S114-V116 PolarHBondContact OG-N 3.49Å; V116-A119 PolarHBondContact O-N 3.37Å; V116-Y120 WeakPolarHBondContact O-CB 3.25Å; V116-Y120 PolarHBondContact O-N 3.48Å
117	S	48.2	Very low	52.2	Low	18 Å²	18	74.1 Å²	74.1	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-69.8	-34.9	178.4	-57.8	0	0	0	0	112.4	S114 Y120 L121	S114-S117 PolarHBondContact O-N 3.15Å; S114-S117 PolarHBondContact OG-N 3.37Å; S114-S117 VanDerWaalsContact OG-N 3.08Å; S114-S117 PolarHBondContact OG-OG 3.24Å; S117-Y120 WeakPolarHBondContact O-CB 3.32Å; S117-Y120 PolarHBondContact O-N 2.93Å; S117-L121 PolarHBondContact O-N 3.43Å
118	N	53.7	Low	51.5	Low	125 Å²	125	70.4 Å²	70.4	67%	0.668	37%	0.368	S	S	*	.	H	α-helix	trans	-74.1	-36.4	174	-74.3	-14.3	0	0	0	112.1	Y120 G122	N118-Y120 VanDerWaalsContact C-N 3.3Å; N118-G122 PolarHBondContact O-N 2.94Å
119	A	51.7	Low	51.1	Low	39 Å²	39	70.9 Å²	70.9	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-37.7	171.5	0	0	0	0	0	111.6	S115 V116 G122 N123	S115-A119 WeakPolarHBondContact O-CB 3.49Å; S115-A119 PolarHBondContact O-N 3.1Å; S115-A119 VanDerWaalsContact O-N 3.14Å; V116-A119 PolarHBondContact O-N 3.37Å; A119-G122 PolarHBondContact O-N 3.49Å; A119-N123 PolarHBondContact O-N 3.24Å
120	Y	52	Low	51.2	Low	11 Å²	11	68.3 Å²	68.3	4%	0.043	36%	0.361	C	S	.	.	H	α-helix	trans	-59.6	-55.7	174.1	-177.4	-102.4	0	0	0	111.1	L75 A86 F89 I108 V116 S117 N118 G122 N123 S124	L75-Y120 HydrophobicContact CD1-CD2 3.5Å; L75-Y120 VanDerWaalsContact CD1-CD2 3.5Å; L75-Y120 HydrophobicContact CD1-CE2 4.27Å; L75-Y120 HydrophobicContact CD1-CG 4.39Å; L75-Y120 VanDerWaalsContact CD2-CB 3.5Å; L75-Y120 HydrophobicContact CD2-CD2 3.98Å; L75-Y120 HydrophobicContact CD2-CG 4.22Å; L75-Y120 HydrophobicContact CG-CD2 4.3Å; A86-Y120 WeakPolarHBondContact CA-OH 3.32Å; A86-Y120 HydrophobicContact CB-CD2 4.17Å; A86-Y120 HydrophobicContact CB-CE2 3.24Å; F89-Y120 WeakPolarHBondContact CB-OH 3.44Å; F89-Y120 WeakPolarHBondContact CD1-OH 3.32Å; I108-Y120 HydrophobicContact CD1-CD1 3.74Å; I108-Y120 HydrophobicContact CD1-CE1 3.39Å; V116-Y120 WeakPolarHBondContact O-CB 3.25Å; V116-Y120 PolarHBondContact O-N 3.48Å; S117-Y120 WeakPolarHBondContact O-CB 3.32Å; S117-Y120 PolarHBondContact O-N 2.93Å; N118-Y120 VanDerWaalsContact C-N 3.3Å; Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 PolarHBondContact O-N 3.04Å; Y120-N123 PolarHBondContact O-N 3.42Å; Y120-S124 WeakPolarHBondContact CE2-OG 3.36Å; Y120-S124 WeakPolarHBondContact O-CB 3.11Å; Y120-S124 PolarHBondContact O-N 3.01Å; Y120-S124 PolarHBondContact O-OG 3.26Å; Y120-S124 PolarHBondContact OH-OG 3.5Å; Y120-S124 VanDerWaalsContact OH-OG 3.09Å
121	L	54.3	Low	51.4	Low	30 Å²	30	65.4 Å²	65.4	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-57	-45	176.1	-109.7	106.1	0	0	0	111.3	I105 S117 M125	I105-L121 HydrophobicContact CG2-CD1 4.08Å; I105-L121 HydrophobicContact CG2-CD2 4.27Å; I105-L121 HydrophobicContact CG2-CG 4.12Å; S117-L121 PolarHBondContact O-N 3.43Å; L121-M125 HydrophobicContact CD2-CE 3.52Å; L121-M125 HydrophobicContact CD2-SD 3.86Å; L121-M125 HydrophobicContact CG-CE 4.45Å; L121-M125 WeakPolarHBondContact O-CB 3.41Å; L121-M125 WeakPolarHBondContact O-CG 3.43Å; L121-M125 PolarHBondContact O-N 3.25Å
122	G	57.3	Low	51.9	Low	24 Å²	24	61.3 Å²	61.3	25%	0.247	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-48.3	-179.2	0	0	0	0	0	113.4	N118 A119 Y120 R126 Q145	N118-G122 PolarHBondContact O-N 2.94Å; A119-G122 PolarHBondContact O-N 3.49Å; Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 PolarHBondContact O-N 3.04Å; G122-R126 WeakPolarHBondContact O-CB 3.15Å; G122-R126 PolarHBondContact O-N 3.31Å; G122-Q145 PolarHBondContact O-NE2 2.97Å
123	N	53.1	Low	52.4	Low	44 Å²	44	57.7 Å²	57.7	24%	0.235	34%	0.336	C	S	.	.	H	α-helix	trans	-71.7	-44	178.9	-78.6	-14.1	0	0	0	112	A73 A119 Y120 M125 R126 F127	A73-N123 PolarHBondContact O-ND2 3.41Å; A73-N123 VanDerWaalsContact O-ND2 3.07Å; A119-N123 PolarHBondContact O-N 3.24Å; Y120-N123 PolarHBondContact O-N 3.42Å; N123-M125 VanDerWaalsContact C-N 3.33Å; N123-M125 PolarHBondContact O-N 2.98Å; N123-R126 WeakPolarHBondContact O-CB 3.25Å; N123-R126 PolarHBondContact O-N 2.89Å; N123-R126 VanDerWaalsContact O-N 3.16Å; N123-F127 VanDerWaalsContact O-CD2 3.23Å; N123-F127 WeakPolarHBondContact O-CD2 3.27Å; N123-F127 PolarHBondContact O-N 3.34Å
124	S	51.8	Low	53	Low	1 Å²	1	56.6 Å²	56.6	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-38.7	178.5	-71.5	0	0	0	0	112.3	F89 Y120 F127 A128	F89-S124 VanDerWaalsContact CE1-CB 3.47Å; Y120-S124 WeakPolarHBondContact CE2-OG 3.36Å; Y120-S124 WeakPolarHBondContact O-CB 3.11Å; Y120-S124 PolarHBondContact O-N 3.01Å; Y120-S124 PolarHBondContact O-OG 3.26Å; Y120-S124 PolarHBondContact OH-OG 3.5Å; Y120-S124 VanDerWaalsContact OH-OG 3.09Å; S124-F127 PolarHBondContact O-N 3.43Å; S124-A128 PolarHBondContact O-N 3.18Å; S124-A128 VanDerWaalsContact O-N 3.14Å
125	M	56.3	Low	53.4	Low	2 Å²	2	58 Å²	58	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-71.6	-33	173.4	-72.8	176.5	160.5	0	0	112.2	L121 N123 A128 L129 L141 E144 Q145	L121-M125 HydrophobicContact CD2-CE 3.52Å; L121-M125 HydrophobicContact CD2-SD 3.86Å; L121-M125 HydrophobicContact CG-CE 4.45Å; L121-M125 WeakPolarHBondContact O-CB 3.41Å; L121-M125 WeakPolarHBondContact O-CG 3.43Å; L121-M125 PolarHBondContact O-N 3.25Å; N123-M125 VanDerWaalsContact C-N 3.33Å; N123-M125 PolarHBondContact O-N 2.98Å; M125-A128 PolarHBondContact O-N 3.27Å; M125-L129 WeakPolarHBondContact O-CB 3.29Å; M125-L129 WeakPolarHBondContact O-CD1 3.23Å; M125-L129 WeakPolarHBondContact O-CG 3.05Å; M125-L129 PolarHBondContact O-N 3.19Å; M125-L141 HydrophobicContact CB-CD2 3.88Å; M125-L141 HydrophobicContact CG-CD2 3.9Å; M125-E144 HydrophobicContact CE-CB 4.15Å; M125-E144 HydrophobicContact CE-CG 3.98Å; M125-Q145 HydrophobicContact CB-CG 4.27Å; M125-Q145 HydrophobicContact SD-CG 3.51Å; M125-Q145 VanDerWaalsContact SD-CG 3.51Å
126	R	55.2	Low	53.4	Low	146 Å²	146	58.6 Å²	58.6	55%	0.551	33%	0.325	S	S	*	.	H	α-helix	trans	-60.7	-43.7	172.2	179.9	-178.3	169	-173.9	-1.4	112	G122 N123 L129 E130	G122-R126 WeakPolarHBondContact O-CB 3.15Å; G122-R126 PolarHBondContact O-N 3.31Å; N123-R126 WeakPolarHBondContact O-CB 3.25Å; N123-R126 PolarHBondContact O-N 2.89Å; N123-R126 VanDerWaalsContact O-N 3.16Å; R126-L129 WeakPolarHBondContact O-CB 3.36Å; R126-L129 PolarHBondContact O-N 2.91Å; R126-E130 IonicContact CZ-OE1 2.78Å; R126-E130 IonicContact NE-OE1 3.22Å; R126-E130 PolarHBondContact NE-OE1 3Å; R126-E130 IonicContact NH2-OE1 3.87Å; R126-E130 WeakPolarHBondContact O-CG 3.3Å; R126-E130 PolarHBondContact O-N 3.48Å
127	F	52.5	Low	53.8	Low	60 Å²	60	59 Å²	59	26%	0.263	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-44.2	174.6	-80.7	-73.1	0	0	0	111.6	P70 V71 N123 S124 L129 E130 D131	P70-F127 HydrophobicContact CB-CZ 4.12Å; V71-F127 HydrophobicContact CB-CE2 4.21Å; V71-F127 HydrophobicContact CG1-CD2 4.3Å; V71-F127 HydrophobicContact CG1-CE2 4.33Å; V71-F127 HydrophobicContact CG2-CD2 4.16Å; V71-F127 HydrophobicContact CG2-CE2 3.76Å; V71-F127 HydrophobicContact CG2-CZ 3.99Å; N123-F127 VanDerWaalsContact O-CD2 3.23Å; N123-F127 WeakPolarHBondContact O-CD2 3.27Å; N123-F127 PolarHBondContact O-N 3.34Å; S124-F127 PolarHBondContact O-N 3.43Å; F127-L129 VanDerWaalsContact C-N 3.27Å; F127-L129 PolarHBondContact O-N 3.18Å; F127-E130 PolarHBondContact O-N 3.35Å; F127-D131 PolarHBondContact O-N 2.7Å; F127-D131 VanDerWaalsContact O-N 3.14Å
128	A	53.2	Low	54	Low	4 Å²	4	61 Å²	61	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-29	175.6	0	0	0	0	0	113.4	S124 M125 S132 L141	S124-A128 PolarHBondContact O-N 3.18Å; S124-A128 VanDerWaalsContact O-N 3.14Å; M125-A128 PolarHBondContact O-N 3.27Å; A128-S132 VanDerWaalsContact O-CB 3.3Å; A128-S132 WeakPolarHBondContact O-CB 3.33Å; A128-S132 PolarHBondContact O-N 3.32Å; A128-S132 PolarHBondContact O-OG 3.02Å; A128-L141 HydrophobicContact CB-CD2 3.49Å; A128-L141 VanDerWaalsContact CB-CD2 3.49Å
129	L	56.7	Low	53.9	Low	27 Å²	27	58.4 Å²	58.4	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-70.1	-38.1	173.2	-77.2	163.5	0	0	0	112.2	M125 R126 F127 S132 Q138 L141 L142	M125-L129 WeakPolarHBondContact O-CB 3.29Å; M125-L129 WeakPolarHBondContact O-CD1 3.23Å; M125-L129 WeakPolarHBondContact O-CG 3.05Å; M125-L129 PolarHBondContact O-N 3.19Å; R126-L129 WeakPolarHBondContact O-CB 3.36Å; R126-L129 PolarHBondContact O-N 2.91Å; F127-L129 VanDerWaalsContact C-N 3.27Å; F127-L129 PolarHBondContact O-N 3.18Å; L129-S132 PolarHBondContact O-OG 3.41Å; L129-Q138 VanDerWaalsContact CD2-CA 3.42Å; L129-Q138 HydrophobicContact CD2-CB 3.64Å; L129-Q138 HydrophobicContact CD2-CG 4.03Å; L129-Q138 WeakPolarHBondContact CD2-O 3.4Å; L129-Q138 PolarHBondContact O-NE2 2.9Å; L129-L141 HydrophobicContact CD2-CB 4.11Å; L129-L141 HydrophobicContact CG-CB 4.29Å; L129-L141 HydrophobicContact CG-CD2 4.48Å; L129-L142 HydrophobicContact CD1-CD1 4.49Å; L129-L142 HydrophobicContact CD2-CD1 4.12Å
130	E	56.8	Low	54	Low	117 Å²	117	58.5 Å²	58.5	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-72.4	-34.2	-180	-72.1	173.3	-168.7	0	0	112	R126 F127	R126-E130 IonicContact CZ-OE1 2.78Å; R126-E130 IonicContact NE-OE1 3.22Å; R126-E130 PolarHBondContact NE-OE1 3Å; R126-E130 IonicContact NH2-OE1 3.87Å; R126-E130 WeakPolarHBondContact O-CG 3.3Å; R126-E130 PolarHBondContact O-N 3.48Å; F127-E130 PolarHBondContact O-N 3.35Å
131	D	55.9	Low	54.1	Low	124 Å²	124	58.9 Å²	58.9	66%	0.663	33%	0.327	S	S	*	.	H	α-helix	trans	-88.5	-19.2	-178.7	-78.3	-23.3	0	0	0	114.8	F127 S133	F127-D131 PolarHBondContact O-N 2.7Å; F127-D131 VanDerWaalsContact O-N 3.14Å; D131-S133 PolarHBondContact O-N 3.09Å
132	S	56.6	Low	54.1	Low	21 Å²	21	60.1 Å²	60.1	15%	0.147	33%	0.334	C	S	.	.			trans	-79.3	118.8	-177.6	46.9	0	0	0	0	112.1	A128 L129 D134 Q138	A128-S132 VanDerWaalsContact O-CB 3.3Å; A128-S132 WeakPolarHBondContact O-CB 3.33Å; A128-S132 PolarHBondContact O-N 3.32Å; A128-S132 PolarHBondContact O-OG 3.02Å; L129-S132 PolarHBondContact O-OG 3.41Å; S132-D134 PolarHBondContact O-N 3.35Å; S132-Q138 PolarHBondContact O-NE2 2.76Å; S132-Q138 VanDerWaalsContact O-NE2 3.12Å; S132-Q138 WeakPolarHBondContact OG-CG 3.25Å
133	S	56.6	Low	54	Low	123 Å²	123	60.6 Å²	60.6	86%	0.86	34%	0.336	S	S	*	.			trans	-72.4	-19	175.6	-21.8	0	0	0	0	112.7	D131 P135	D131-S133 PolarHBondContact O-N 3.09Å; S133-P135 WeakPolarHBondContact O-CD 3.37Å
134	D	52.3	Low	54.1	Low	91 Å²	91	62.1 Å²	62.1	49%	0.487	34%	0.341	S	S	.	.			trans	-97	110.2	-168.8	-147	-21.7	0	0	0	110.4	S132 N136 V137 Q138	S132-D134 PolarHBondContact O-N 3.35Å; D134-N136 PolarHBondContact O-N 2.97Å; D134-N136 VanDerWaalsContact O-N 3.11Å; D134-V137 HydrophobicContact CB-CB 4.32Å; D134-V137 HydrophobicContact CB-CG2 3.93Å; D134-V137 WeakPolarHBondContact O-CB 3.32Å; D134-V137 PolarHBondContact O-N 3.26Å; D134-Q138 PolarHBondContact O-N 3.18Å
135	P	51.9	Low	54.1	Low	66 Å²	66	65.8 Å²	65.8	43%	0.429	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-25	-174.3	23.3	-33.5	0	0	0	113	S133 Q138 L139	S133-P135 WeakPolarHBondContact O-CD 3.37Å; P135-Q138 PolarHBondContact O-N 3.28Å; P135-L139 WeakPolarHBondContact O-CB 3.34Å; P135-L139 WeakPolarHBondContact O-CD1 3.4Å; P135-L139 VanDerWaalsContact O-CG 3.24Å; P135-L139 WeakPolarHBondContact O-CG 3.34Å; P135-L139 PolarHBondContact O-N 3.13Å
136	N	49.6	Very low	53.9	Low	112 Å²	112	70.7 Å²	70.7	60%	0.599	38%	0.384	S	S	*	.	H	α-helix	trans	-68.5	-35	175.4	-69	-31.9	0	0	0	112.2	D134 G140	D134-N136 PolarHBondContact O-N 2.97Å; D134-N136 VanDerWaalsContact O-N 3.11Å; N136-G140 PolarHBondContact O-N 3.49Å
137	V	53.2	Low	53.6	Low	55 Å²	55	70 Å²	70	33%	0.333	39%	0.391	S	S	.	.	H	α-helix	trans	-72.1	-41.8	176.6	176.7	0	0	0	0	109.7	D134 L139 G140 L141	D134-V137 HydrophobicContact CB-CB 4.32Å; D134-V137 HydrophobicContact CB-CG2 3.93Å; D134-V137 WeakPolarHBondContact O-CB 3.32Å; D134-V137 PolarHBondContact O-N 3.26Å; V137-L139 VanDerWaalsContact C-N 3.33Å; V137-L139 PolarHBondContact O-N 3.39Å; V137-G140 PolarHBondContact O-N 3.17Å; V137-L141 HydrophobicContact CG1-CD1 3.73Å; V137-L141 VanDerWaalsContact O-CD1 3.24Å; V137-L141 WeakPolarHBondContact O-CD1 3.3Å; V137-L141 PolarHBondContact O-N 3.3Å
138	Q	54.1	Low	53.4	Low	58 Å²	58	72.1 Å²	72.1	27%	0.271	41%	0.405	S	S	.	.	H	α-helix	trans	-60.3	-45	174.7	-66.8	-179.5	-30.3	0	0	111.8	L129 S132 D134 P135 L141 L142	L129-Q138 VanDerWaalsContact CD2-CA 3.42Å; L129-Q138 HydrophobicContact CD2-CB 3.64Å; L129-Q138 HydrophobicContact CD2-CG 4.03Å; L129-Q138 WeakPolarHBondContact CD2-O 3.4Å; L129-Q138 PolarHBondContact O-NE2 2.9Å; S132-Q138 PolarHBondContact O-NE2 2.76Å; S132-Q138 VanDerWaalsContact O-NE2 3.12Å; S132-Q138 WeakPolarHBondContact OG-CG 3.25Å; D134-Q138 PolarHBondContact O-N 3.18Å; P135-Q138 PolarHBondContact O-N 3.28Å; Q138-L141 PolarHBondContact O-N 3.28Å; Q138-L142 WeakPolarHBondContact O-CB 3.28Å; Q138-L142 PolarHBondContact O-N 3.19Å
139	L	50.6	Low	52.9	Low	72 Å²	72	80.1 Å²	80.1	38%	0.377	44%	0.441	S	S	.	.	H	α-helix	trans	-66.8	-36.7	177.4	-76.2	163.7	0	0	0	112.5	P135 V137 L142 A143 L157	P135-L139 WeakPolarHBondContact O-CB 3.34Å; P135-L139 WeakPolarHBondContact O-CD1 3.4Å; P135-L139 VanDerWaalsContact O-CG 3.24Å; P135-L139 WeakPolarHBondContact O-CG 3.34Å; P135-L139 PolarHBondContact O-N 3.13Å; V137-L139 VanDerWaalsContact C-N 3.33Å; V137-L139 PolarHBondContact O-N 3.39Å; L139-L142 PolarHBondContact O-N 2.98Å; L139-A143 WeakPolarHBondContact O-CB 3.07Å; L139-A143 PolarHBondContact O-N 2.91Å; L139-L157 HydrophobicContact CD2-CD2 3.8Å
140	G	53.7	Low	52.1	Low	40 Å²	40	87.7 Å²	87.7	41%	0.412	48%	0.476	S	S	.	.	H	α-helix	trans	-64.3	-44.5	174.5	0	0	0	0	0	112.9	N136 V137 A143 E144	N136-G140 PolarHBondContact O-N 3.49Å; V137-G140 PolarHBondContact O-N 3.17Å; G140-A143 PolarHBondContact O-N 3.33Å; G140-E144 PolarHBondContact O-N 3.39Å
141	L	55.2	Low	51	Low	20 Å²	20	90.9 Å²	90.9	11%	0.105	49%	0.491	C	S	.	.	H	α-helix	trans	-64.2	-39.4	175.1	-94.6	89.3	0	0	0	112.2	M125 A128 L129 V137 Q138 E144 Q145	M125-L141 HydrophobicContact CB-CD2 3.88Å; M125-L141 HydrophobicContact CG-CD2 3.9Å; A128-L141 HydrophobicContact CB-CD2 3.49Å; A128-L141 VanDerWaalsContact CB-CD2 3.49Å; L129-L141 HydrophobicContact CD2-CB 4.11Å; L129-L141 HydrophobicContact CG-CB 4.29Å; L129-L141 HydrophobicContact CG-CD2 4.48Å; V137-L141 HydrophobicContact CG1-CD1 3.73Å; V137-L141 VanDerWaalsContact O-CD1 3.24Å; V137-L141 WeakPolarHBondContact O-CD1 3.3Å; V137-L141 PolarHBondContact O-N 3.3Å; Q138-L141 PolarHBondContact O-N 3.28Å; L141-E144 PolarHBondContact O-N 3.4Å; L141-Q145 WeakPolarHBondContact O-CG 3.38Å; L141-Q145 PolarHBondContact O-N 3.25Å
142	L	54.5	Low	49.9	Very low	55 Å²	55	93 Å²	93	29%	0.288	50%	0.497	S	S	.	.	H	α-helix	trans	-66	-38.1	174.7	-110	143.6	0	0	0	112.4	L129 Q138 L139 E144 Q145 L146	L129-L142 HydrophobicContact CD1-CD1 4.49Å; L129-L142 HydrophobicContact CD2-CD1 4.12Å; Q138-L142 WeakPolarHBondContact O-CB 3.28Å; Q138-L142 PolarHBondContact O-N 3.19Å; L139-L142 PolarHBondContact O-N 2.98Å; L142-E144 VanDerWaalsContact C-N 3.32Å; L142-Q145 PolarHBondContact O-N 3.31Å; L142-L146 HydrophobicContact CD2-CD1 4.4Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.06Å; L142-L146 VanDerWaalsContact O-N 3.09Å
143	A	53.9	Low	49	Very low	35 Å²	35	96 Å²	96	29%	0.289	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-37.9	175.2	0	0	0	0	0	111.6	L139 G140 L146 N147 L148	L139-A143 WeakPolarHBondContact O-CB 3.07Å; L139-A143 PolarHBondContact O-N 2.91Å; G140-A143 PolarHBondContact O-N 3.33Å; A143-L146 PolarHBondContact O-N 3.38Å; A143-N147 PolarHBondContact O-N 3.14Å; A143-L148 PolarHBondContact O-N 2.97Å
144	E	54.6	Low	48	Very low	75 Å²	75	94.5 Å²	94.5	35%	0.35	51%	0.506	S	S	.	.	H	α-helix	trans	-68.5	-39.2	174.7	-161	170.1	-173.3	0	0	111.9	M125 G140 L141 L142 L146 N147	M125-E144 HydrophobicContact CE-CB 4.15Å; M125-E144 HydrophobicContact CE-CG 3.98Å; G140-E144 PolarHBondContact O-N 3.39Å; L141-E144 PolarHBondContact O-N 3.4Å; L142-E144 VanDerWaalsContact C-N 3.32Å; E144-L146 VanDerWaalsContact C-N 3.28Å; E144-L146 PolarHBondContact O-N 3.37Å; E144-N147 PolarHBondContact O-N 3.29Å
145	Q	52.5	Low	47.2	Very low	78 Å²	78	98.4 Å²	98.4	36%	0.364	52%	0.519	S	S	.	.	H	α-helix	trans	-60.6	-34.8	173	-78	-174.3	-29.7	0	0	113.4	G122 M125 L141 L142 N147	G122-Q145 PolarHBondContact O-NE2 2.97Å; M125-Q145 HydrophobicContact CB-CG 4.27Å; M125-Q145 HydrophobicContact SD-CG 3.51Å; M125-Q145 VanDerWaalsContact SD-CG 3.51Å; L141-Q145 WeakPolarHBondContact O-CG 3.38Å; L141-Q145 PolarHBondContact O-N 3.25Å; L142-Q145 PolarHBondContact O-N 3.31Å; Q145-N147 VanDerWaalsContact C-N 3.29Å
146	L	51.6	Low	46.5	Very low	105 Å²	105	97.3 Å²	97.3	55%	0.55	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	4.7	-179.5	-66.7	170.1	0	0	0	113	L142 A143 E144 L148	L142-L146 HydrophobicContact CD2-CD1 4.4Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.06Å; L142-L146 VanDerWaalsContact O-N 3.09Å; A143-L146 PolarHBondContact O-N 3.38Å; E144-L146 VanDerWaalsContact C-N 3.28Å; E144-L146 PolarHBondContact O-N 3.37Å; L146-L148 HydrophobicContact CB-CD1 3.79Å; L146-L148 HydrophobicContact CB-CG 3.8Å; L146-L148 HydrophobicContact CD1-CD1 4.09Å; L146-L148 PolarHBondContact O-N 2.84Å
147	N	50.5	Low	46.2	Very low	132 Å²	132	94.7 Å²	94.7	71%	0.706	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	31.6	-178.2	-148.5	24.9	0	0	0	112.9	A143 E144 Q145 Q149	A143-N147 PolarHBondContact O-N 3.14Å; E144-N147 PolarHBondContact O-N 3.29Å; Q145-N147 VanDerWaalsContact C-N 3.29Å; N147-Q149 PolarHBondContact O-N 3.4Å
148	L	48.2	Very low	45.7	Very low	104 Å²	104	95.9 Å²	95.9	55%	0.545	50%	0.503	S	S	.	.			trans	-82.1	101	-178.8	-66.7	170.7	0	0	0	108.5	A143 L146	A143-L148 PolarHBondContact O-N 2.97Å; L146-L148 HydrophobicContact CB-CD1 3.79Å; L146-L148 HydrophobicContact CB-CG 3.8Å; L146-L148 HydrophobicContact CD1-CD1 4.09Å; L146-L148 PolarHBondContact O-N 2.84Å
149	Q	41.2	Very low	45.1	Very low	173 Å²	173	101.7 Å²	101.7	81%	0.808	52%	0.523	S	S	*	.			trans	-70.4	134.7	164.7	-59.3	-139.2	-33.5	0	0	108.1	N147	N147-Q149 PolarHBondContact O-N 3.4Å
150	E	41.1	Very low	45.3	Very low	185 Å²	185	101.5 Å²	101.5	86%	0.864	52%	0.522	S	S	*	.			trans	111.2	107.9	168.7	-58.7	174.9	177.8	0	0	115.8	Q152	E150-Q152 PolarHBondContact O-N 3.26Å
151	E	33.8	Very low	45.4	Very low	185 Å²	185	101.5 Å²	101.5	86%	0.864	51%	0.512	S	S	*	.			trans	-63.7	115.5	164.9	-58.4	171.1	160.7	0	0	109.7
152	Q	32.3	Very low	45.6	Very low	167 Å²	167	105.1 Å²	105.1	78%	0.78	53%	0.527	S	S	*	.			trans	-174.9	111.6	156.3	-105.8	154	69.9	0	0	116.7	E150 S156	E150-Q152 PolarHBondContact O-N 3.26Å; Q152-S156 PolarHBondContact O-OG 3.22Å
153	S	37.5	Very low	45.8	Very low	85 Å²	85	105.9 Å²	105.9	59%	0.594	53%	0.529	S	S	*	.			trans	54.7	135.2	151.8	98.5	0	0	0	0	122.2	F155 S156	S153-F155 PolarHBondContact O-N 3.34Å; S153-S156 PolarHBondContact O-N 3.28Å; S153-S156 PolarHBondContact O-OG 3.14Å
154	C	35.3	Very low	46.1	Very low	91 Å²	91	105.6 Å²	105.6	62%	0.615	53%	0.526	S	S	*	.	H	α-helix	trans	-50.9	-19.7	-175.9	-64.2	0	0	0	0	117.7
155	F	36	Very low	46.5	Very low	174 Å²	174	102.2 Å²	102.2	76%	0.763	51%	0.511	S	S	*	.	H	α-helix	trans	-86.8	-26.1	178.1	-81.4	-80.9	0	0	0	113.5	S153 L157	S153-F155 PolarHBondContact O-N 3.34Å; F155-L157 VanDerWaalsContact C-N 3.34Å
156	S	37	Very low	47.1	Very low	43 Å²	43	103.5 Å²	103.5	30%	0.301	52%	0.517	S	S	.	.	H	α-helix	trans	-70.7	-36.8	170	74.7	0	0	0	0	110.1	Q152 S153 L158 R159 N160	Q152-S156 PolarHBondContact O-OG 3.22Å; S153-S156 PolarHBondContact O-N 3.28Å; S153-S156 PolarHBondContact O-OG 3.14Å; S156-L158 VanDerWaalsContact C-N 3.28Å; S156-L158 PolarHBondContact O-N 3.47Å; S156-R159 CarbonylContact O-C 3.57Å; S156-R159 WeakPolarHBondContact O-CA 3.36Å; S156-R159 WeakPolarHBondContact O-CB 3.39Å; S156-R159 PolarHBondContact O-N 3.42Å; S156-N160 PolarHBondContact O-N 2.93Å; S156-N160 PolarHBondContact O-ND2 3.3Å; S156-N160 PolarHBondContact O-OD1 2.96Å; S156-N160 VanDerWaalsContact O-OD1 3.1Å
157	L	43.4	Very low	47.4	Very low	56 Å²	56	103.1 Å²	103.1	29%	0.293	51%	0.514	S	S	.	.	H	α-helix	trans	-55	-37	177.2	-86.5	138.5	0	0	0	113.6	L139 F155 N160 I161	L139-L157 HydrophobicContact CD2-CD2 3.8Å; F155-L157 VanDerWaalsContact C-N 3.34Å; L157-N160 PolarHBondContact O-N 3.39Å; L157-I161 WeakPolarHBondContact O-CG1 3.01Å; L157-I161 PolarHBondContact O-N 3.17Å
158	L	42.8	Very low	47.8	Very low	81 Å²	81	97 Å²	97	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-64.2	-41.5	174.1	-101.7	159.7	0	0	0	112.7	S156 N160 F186	S156-L158 VanDerWaalsContact C-N 3.28Å; S156-L158 PolarHBondContact O-N 3.47Å; L158-N160 VanDerWaalsContact C-N 3.32Å; L158-F186 HydrophobicContact CD1-CZ 4.42Å; L158-F186 HydrophobicContact CD2-CE1 3.37Å; L158-F186 HydrophobicContact CD2-CZ 3.35Å; L158-F186 HydrophobicContact CG-CE1 4.24Å; L158-F186 HydrophobicContact CG-CZ 3.72Å
159	R	42.2	Very low	48.6	Very low	180 Å²	180	97.1 Å²	97.1	68%	0.679	48%	0.48	S	S	*	.	H	α-helix	trans	-68.8	-36.8	174.8	-160.8	179.9	-172.4	-167.1	1	110.5	S156 F162 Q163	S156-R159 CarbonylContact O-C 3.57Å; S156-R159 WeakPolarHBondContact O-CA 3.36Å; S156-R159 WeakPolarHBondContact O-CB 3.39Å; S156-R159 PolarHBondContact O-N 3.42Å; R159-F162 PolarHBondContact O-N 3.49Å; R159-Q163 VanDerWaalsContact O-CB 3.3Å; R159-Q163 WeakPolarHBondContact O-CB 3.12Å; R159-Q163 VanDerWaalsContact O-CG 3.23Å; R159-Q163 WeakPolarHBondContact O-CG 3.46Å; R159-Q163 PolarHBondContact O-N 3.22Å
160	N	54.1	Low	49.5	Very low	68 Å²	68	92.5 Å²	92.5	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-70.6	-34.3	-176.6	-62.8	-10	0	0	0	112.7	S156 L157 L158 A164	S156-N160 PolarHBondContact O-N 2.93Å; S156-N160 PolarHBondContact O-ND2 3.3Å; S156-N160 PolarHBondContact O-OD1 2.96Å; S156-N160 VanDerWaalsContact O-OD1 3.1Å; L157-N160 PolarHBondContact O-N 3.39Å; L158-N160 VanDerWaalsContact C-N 3.32Å; N160-A164 WeakPolarHBondContact O-CB 2.9Å; N160-A164 PolarHBondContact O-N 3.26Å
161	I	56.6	Low	49.7	Very low	40 Å²	40	91.2 Å²	91.2	21%	0.205	46%	0.461	C	S	.	.	H	α-helix	trans	-73.1	-40.5	176.2	-58.4	163.9	0	0	0	111.1	L157 A164 V165 Y183 F186	L157-I161 WeakPolarHBondContact O-CG1 3.01Å; L157-I161 PolarHBondContact O-N 3.17Å; I161-A164 WeakPolarHBondContact O-CB 3.44Å; I161-A164 PolarHBondContact O-N 3.29Å; I161-V165 WeakPolarHBondContact O-CG2 3.42Å; I161-V165 PolarHBondContact O-N 3.45Å; I161-Y183 HydrophobicContact CB-CD2 4.27Å; I161-Y183 HydrophobicContact CG2-CD2 3.35Å; I161-Y183 HydrophobicContact CG2-CE2 4.16Å; I161-Y183 HydrophobicContact CG2-CG 3.98Å; I161-F186 HydrophobicContact CD1-CD2 4.07Å; I161-F186 HydrophobicContact CD1-CG 4.16Å
162	F	58.6	Low	50.8	Low	95 Å²	95	85.4 Å²	85.4	42%	0.417	44%	0.435	S	S	.	.	H	α-helix	trans	-64.8	-42.6	175.3	-162.9	-91.5	0	0	0	111.1	R159 A164 V165 E166 Y183	R159-F162 PolarHBondContact O-N 3.49Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 2.96Å; F162-V165 PolarHBondContact O-N 3Å; F162-E166 HydrophobicContact CD1-CG 4.29Å; F162-E166 HydrophobicContact CE1-CG 4.21Å; F162-E166 WeakPolarHBondContact CE1-OE1 3.5Å; F162-E166 PolarHBondContact O-N 3.03Å; F162-Y183 HydrophobicContact CD2-CE1 4.43Å
163	Q	59.6	Low	52	Low	72 Å²	72	87.9 Å²	87.9	34%	0.336	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-38.3	171.6	-76.2	175.9	-20.6	0	0	111.9	R159 V165 E166 I167	R159-Q163 VanDerWaalsContact O-CB 3.3Å; R159-Q163 WeakPolarHBondContact O-CB 3.12Å; R159-Q163 VanDerWaalsContact O-CG 3.23Å; R159-Q163 WeakPolarHBondContact O-CG 3.46Å; R159-Q163 PolarHBondContact O-N 3.22Å; Q163-V165 VanDerWaalsContact C-N 3.26Å; Q163-V165 PolarHBondContact O-N 3.41Å; Q163-E166 PolarHBondContact O-N 2.92Å; Q163-I167 HydrophobicContact CB-CD1 4.44Å; Q163-I167 WeakPolarHBondContact O-CB 3.22Å; Q163-I167 WeakPolarHBondContact O-CD1 3.44Å; Q163-I167 WeakPolarHBondContact O-CG1 3.48Å; Q163-I167 PolarHBondContact O-N 2.59Å
164	A	59	Low	53.2	Low	28 Å²	28	90.7 Å²	90.7	23%	0.231	45%	0.445	C	S	.	.	H	α-helix	trans	-62.7	-34.2	176.1	0	0	0	0	0	111.9	N160 I161 F162 A168 T179	N160-A164 WeakPolarHBondContact O-CB 2.9Å; N160-A164 PolarHBondContact O-N 3.26Å; I161-A164 WeakPolarHBondContact O-CB 3.44Å; I161-A164 PolarHBondContact O-N 3.29Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 2.96Å; A164-A168 WeakPolarHBondContact O-CB 3.18Å; A164-A168 PolarHBondContact O-N 2.83Å; A164-T179 HydrophobicContact CB-CG2 4.16Å
165	V	63.9	Low	54.6	Low	4 Å²	4	91 Å²	91	2%	0.024	44%	0.437	C	S	.	.	H	α-helix	trans	-69.2	-45.9	172.4	176.8	0	0	0	0	111.2	I161 F162 Q163 I167 A168 E169 T179 Y183 W199	I161-V165 WeakPolarHBondContact O-CG2 3.42Å; I161-V165 PolarHBondContact O-N 3.45Å; F162-V165 PolarHBondContact O-N 3Å; Q163-V165 VanDerWaalsContact C-N 3.26Å; Q163-V165 PolarHBondContact O-N 3.41Å; V165-I167 VanDerWaalsContact C-N 3.3Å; V165-I167 PolarHBondContact O-N 3.27Å; V165-A168 PolarHBondContact O-N 2.68Å; V165-E169 HydrophobicContact CG1-CG 4.47Å; V165-E169 WeakPolarHBondContact O-CG 3.38Å; V165-E169 PolarHBondContact O-N 3.07Å; V165-T179 HydrophobicContact CG2-CG2 3.91Å; V165-Y183 HydrophobicContact CG2-CD1 4.23Å; V165-Y183 HydrophobicContact CG2-CG 4.26Å; V165-W199 HydrophobicContact CG1-CH2 3.56Å; V165-W199 HydrophobicContact CG1-CZ3 3.51Å; V165-W199 HydrophobicContact CG2-CZ3 4.48Å
166	E	64.6	Low	56.4	Low	105 Å²	105	85 Å²	85	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-39.7	176.1	-70.3	-178.4	159.9	0	0	112.1	F162 Q163 E169 S170	F162-E166 HydrophobicContact CD1-CG 4.29Å; F162-E166 HydrophobicContact CE1-CG 4.21Å; F162-E166 WeakPolarHBondContact CE1-OE1 3.5Å; F162-E166 PolarHBondContact O-N 3.03Å; Q163-E166 PolarHBondContact O-N 2.92Å; E166-E169 PolarHBondContact O-N 3.18Å; E166-S170 WeakPolarHBondContact O-CB 3.31Å; E166-S170 PolarHBondContact O-N 3.18Å; E166-S170 VanDerWaalsContact O-N 3.14Å; E166-S170 PolarHBondContact O-OG 3.33Å
167	I	58	Low	58.1	Low	97 Å²	97	88.6 Å²	88.6	50%	0.497	42%	0.423	S	S	.	.	H	α-helix	trans	-67.6	-42.8	175.7	-66.4	162.7	0	0	0	110.1	Q163 V165 S170 H171	Q163-I167 HydrophobicContact CB-CD1 4.44Å; Q163-I167 WeakPolarHBondContact O-CB 3.22Å; Q163-I167 WeakPolarHBondContact O-CD1 3.44Å; Q163-I167 WeakPolarHBondContact O-CG1 3.48Å; Q163-I167 PolarHBondContact O-N 2.59Å; V165-I167 VanDerWaalsContact C-N 3.3Å; V165-I167 PolarHBondContact O-N 3.27Å; I167-S170 WeakPolarHBondContact CA-OG 3.34Å; I167-S170 PolarHBondContact O-N 3.14Å; I167-S170 PolarHBondContact O-OG 3.11Å; I167-S170 VanDerWaalsContact O-OG 3.11Å; I167-H171 WeakPolarHBondContact O-CB 3.04Å; I167-H171 PolarHBondContact O-N 3.32Å
168	A	58.9	Low	59.5	Low	4 Å²	4	89.9 Å²	89.9	3%	0.033	43%	0.43	C	S	.	.	H	α-helix	trans	-66.7	-36.3	177.1	0	0	0	0	0	112.5	A164 V165 S170 D172 L176	A164-A168 WeakPolarHBondContact O-CB 3.18Å; A164-A168 PolarHBondContact O-N 2.83Å; V165-A168 PolarHBondContact O-N 2.68Å; A168-S170 VanDerWaalsContact C-N 3.29Å; A168-S170 PolarHBondContact O-N 3.31Å; A168-D172 CarbonylContact O-C 3.51Å; A168-D172 PolarHBondContact O-N 2.69Å; A168-D172 VanDerWaalsContact O-O 3.1Å; A168-L176 HydrophobicContact CB-CB 4.42Å; A168-L176 HydrophobicContact CB-CD1 3.9Å
169	E	64.2	Low	60.9	Low	107 Å²	107	87.4 Å²	87.4	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-65.6	-33.4	174.8	-76.5	-174.4	173.9	0	0	112	V165 E166 L176	V165-E169 HydrophobicContact CG1-CG 4.47Å; V165-E169 WeakPolarHBondContact O-CG 3.38Å; V165-E169 PolarHBondContact O-N 3.07Å; E166-E169 PolarHBondContact O-N 3.18Å; E169-L176 HydrophobicContact CG-CD1 3.65Å
170	S	59.9	Low	62.6	Low	75 Å²	75	79 Å²	79	52%	0.524	39%	0.387	S	S	.	.	H	α-helix	trans	-91.4	-37.7	-176.5	49.1	0	0	0	0	114.5	E166 I167 A168	E166-S170 WeakPolarHBondContact O-CB 3.31Å; E166-S170 PolarHBondContact O-N 3.18Å; E166-S170 VanDerWaalsContact O-N 3.14Å; E166-S170 PolarHBondContact O-OG 3.33Å; I167-S170 WeakPolarHBondContact CA-OG 3.34Å; I167-S170 PolarHBondContact O-N 3.14Å; I167-S170 PolarHBondContact O-OG 3.11Å; I167-S170 VanDerWaalsContact O-OG 3.11Å; A168-S170 VanDerWaalsContact C-N 3.29Å; A168-S170 PolarHBondContact O-N 3.31Å
171	H	45.7	Very low	63.8	Low	159 Å²	159	78 Å²	78	74%	0.736	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-26.3	-168.5	-60.2	83.3	0	0	0	114.1	I167	I167-H171 WeakPolarHBondContact O-CB 3.04Å; I167-H171 PolarHBondContact O-N 3.32Å
172	D	56.7	Low	64.7	Low	62 Å²	62	79.7 Å²	79.7	33%	0.332	39%	0.385	S	S	.	.			trans	-131.7	75.4	-168.1	-158.4	-13	0	0	0	114.1	A168 I174 H175 L176	A168-D172 CarbonylContact O-C 3.51Å; A168-D172 PolarHBondContact O-N 2.69Å; A168-D172 VanDerWaalsContact O-O 3.1Å; D172-I174 PolarHBondContact O-N 2.99Å; D172-I174 PolarHBondContact OD1-N 3.25Å; D172-H175 PolarHBondContact O-N 3.41Å; D172-H175 IonicContact OD1-CD2 3.87Å; D172-H175 PolarHBondContact OD1-CD2 3.45Å; D172-H175 PolarHBondContact OD1-N 2.92Å; D172-H175 IonicContact OD2-CD2 2.71Å; D172-H175 PolarHBondContact OD2-CD2 3.5Å; D172-H175 IonicContact OD2-CG 2.83Å; D172-L176 PolarHBondContact O-N 2.97Å
173	R	58.7	Low	65.7	Low	219 Å²	219	76.4 Å²	76.4	83%	0.826	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.2	177.8	-70.1	-176.5	174.5	-172.5	-1.3	113.6
174	I	61.2	Low	66.8	Low	145 Å²	145	73 Å²	73	74%	0.744	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-46.7	-176	-59.4	175.1	0	0	0	109.1	D172	D172-I174 PolarHBondContact O-N 2.99Å; D172-I174 PolarHBondContact OD1-N 3.25Å
175	H	65.5	Low	67.8	Low	98 Å²	98	74.4 Å²	74.4	45%	0.454	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.8	-175.9	-67	-69.9	0	0	0	114.1	D172 K177 N178 T179	D172-H175 PolarHBondContact O-N 3.41Å; D172-H175 IonicContact OD1-CD2 3.87Å; D172-H175 PolarHBondContact OD1-CD2 3.45Å; D172-H175 PolarHBondContact OD1-N 2.92Å; D172-H175 IonicContact OD2-CD2 2.71Å; D172-H175 PolarHBondContact OD2-CD2 3.5Å; D172-H175 IonicContact OD2-CG 2.83Å; H175-K177 VanDerWaalsContact C-N 3.28Å; H175-K177 PolarHBondContact O-N 3.3Å; H175-N178 WeakPolarHBondContact O-CA 3.15Å; H175-N178 WeakPolarHBondContact O-CB 3.45Å; H175-N178 PolarHBondContact O-N 2.97Å; H175-T179 PolarHBondContact O-N 2.86Å; H175-T179 PolarHBondContact O-OG1 3.02Å; H175-T179 VanDerWaalsContact O-OG1 3.08Å
176	L	73	Confident	68.6	Low	47 Å²	47	77.1 Å²	77.1	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-45.5	-45.6	-178.3	-178.2	62.8	0	0	0	114.4	A168 E169 D172 N178 T179 C180	A168-L176 HydrophobicContact CB-CB 4.42Å; A168-L176 HydrophobicContact CB-CD1 3.9Å; E169-L176 HydrophobicContact CG-CD1 3.65Å; D172-L176 PolarHBondContact O-N 2.97Å; L176-N178 PolarHBondContact O-N 3.36Å; L176-T179 PolarHBondContact O-N 2.64Å; L176-C180 WeakPolarHBondContact O-CB 3.15Å; L176-C180 PolarHBondContact O-N 3.16Å; L176-C180 PolarHBondContact O-SG 3.05Å
177	K	74.4	Confident	69.4	Low	119 Å²	119	72.3 Å²	72.3	52%	0.517	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-40.4	178.8	-66.9	-167	-178.1	-157.8	0	112.6	H175 C180 Y181 S204	H175-K177 VanDerWaalsContact C-N 3.28Å; H175-K177 PolarHBondContact O-N 3.3Å; K177-C180 PolarHBondContact O-N 3.34Å; K177-Y181 WeakPolarHBondContact O-CB 3.42Å; K177-Y181 PolarHBondContact O-N 3.46Å; K177-S204 PolarHBondContact NZ-OG 3.01Å
178	N	71.2	Confident	70.7	Confident	83 Å²	83	70.1 Å²	70.1	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-69.8	-43.6	179.5	-162.2	40.7	0	0	0	110.6	H175 L176 C180 Y181 H182	H175-N178 WeakPolarHBondContact O-CA 3.15Å; H175-N178 WeakPolarHBondContact O-CB 3.45Å; H175-N178 PolarHBondContact O-N 2.97Å; L176-N178 PolarHBondContact O-N 3.36Å; N178-C180 VanDerWaalsContact C-N 3.33Å; N178-C180 PolarHBondContact O-N 2.92Å; N178-Y181 WeakPolarHBondContact O-CB 3.45Å; N178-Y181 PolarHBondContact O-N 3.29Å; N178-Y181 VanDerWaalsContact O-N 3.12Å; N178-H182 PolarHBondContact ND2-NE2 3.25Å; N178-H182 PolarHBondContact O-CD2 2.97Å; N178-H182 PolarHBondContact O-N 2.93Å; N178-H182 PolarHBondContact OD1-NE2 3.46Å
179	T	72.1	Confident	71.8	Confident	29 Å²	29	78.1 Å²	78.1	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-60.3	-43.3	174.4	-46	0	0	0	0	111.1	A164 V165 H175 L176 Y181 H182 Y183	A164-T179 HydrophobicContact CB-CG2 4.16Å; V165-T179 HydrophobicContact CG2-CG2 3.91Å; H175-T179 PolarHBondContact O-N 2.86Å; H175-T179 PolarHBondContact O-OG1 3.02Å; H175-T179 VanDerWaalsContact O-OG1 3.08Å; L176-T179 PolarHBondContact O-N 2.64Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 2.69Å; T179-H182 PolarHBondContact O-N 3.16Å; T179-Y183 WeakPolarHBondContact O-CB 3.33Å; T179-Y183 PolarHBondContact O-N 3.39Å
180	C	79.2	Confident	72.5	Confident	4 Å²	4	76 Å²	76	3%	0.027	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-40	174	-70.7	0	0	0	0	112.3	L176 K177 N178 Y183 A184 W199 K202 A203	L176-C180 WeakPolarHBondContact O-CB 3.15Å; L176-C180 PolarHBondContact O-N 3.16Å; L176-C180 PolarHBondContact O-SG 3.05Å; K177-C180 PolarHBondContact O-N 3.34Å; N178-C180 VanDerWaalsContact C-N 3.33Å; N178-C180 PolarHBondContact O-N 2.92Å; C180-Y183 PolarHBondContact O-N 2.95Å; C180-A184 WeakPolarHBondContact O-CB 3.44Å; C180-A184 PolarHBondContact O-N 3.3Å; C180-W199 HydrophobicContact CB-CE3 4.2Å; C180-K202 HydrophobicContact CB-CB 4.36Å; C180-A203 HydrophobicContact CB-CB 4.02Å
181	Y	79.7	Confident	73.6	Confident	47 Å²	47	75.1 Å²	75.1	18%	0.184	37%	0.367	C	S	.	.	H	α-helix	trans	-63.8	-48.7	177.4	177.6	-97.7	0	0	0	111.9	K177 N178 T179 Y183 A184 Q185 Y200 V205 E209	K177-Y181 WeakPolarHBondContact O-CB 3.42Å; K177-Y181 PolarHBondContact O-N 3.46Å; N178-Y181 WeakPolarHBondContact O-CB 3.45Å; N178-Y181 PolarHBondContact O-N 3.29Å; N178-Y181 VanDerWaalsContact O-N 3.12Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 2.69Å; Y181-Y183 VanDerWaalsContact C-N 3.32Å; Y181-Y183 PolarHBondContact O-N 3.4Å; Y181-A184 WeakPolarHBondContact O-CB 3.33Å; Y181-A184 PolarHBondContact O-N 3.25Å; Y181-Q185 HydrophobicContact CD1-CG 4.43Å; Y181-Q185 HydrophobicContact CE1-CG 4.04Å; Y181-Q185 VanDerWaalsContact CZ-NE2 3.33Å; Y181-Q185 PolarHBondContact O-N 2.86Å; Y181-Q185 PolarHBondContact OH-NE2 3.27Å; Y181-Y200 HydrophobicContact CD2-CD1 4.14Å; Y181-Y200 AromaticContact CD2-CE1 3.86Å; Y181-Y200 HydrophobicContact CD2-CE1 3.86Å; Y181-Y200 HydrophobicContact CE2-CD1 4.43Å; Y181-Y200 AromaticContact CE2-CE1 3.88Å; Y181-Y200 HydrophobicContact CE2-CE1 3.88Å; Y181-V205 HydrophobicContact CD2-CB 4.31Å; Y181-V205 HydrophobicContact CD2-CG2 4.03Å; Y181-V205 HydrophobicContact CE2-CG1 4.36Å; Y181-E209 HydrophobicContact CE2-CG 3.8Å; Y181-E209 WeakPolarHBondContact CE2-OE1 3.27Å; Y181-E209 PolarHBondContact OH-OE1 3.49Å
182	H	75	Confident	75.4	Confident	74 Å²	74	71.4 Å²	71.4	34%	0.343	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-36.4	177.7	-67.9	-56.1	0	0	0	112.3	N178 T179 Q185 F186	N178-H182 PolarHBondContact ND2-NE2 3.25Å; N178-H182 PolarHBondContact O-CD2 2.97Å; N178-H182 PolarHBondContact O-N 2.93Å; N178-H182 PolarHBondContact OD1-NE2 3.46Å; T179-H182 PolarHBondContact O-N 3.16Å; H182-Q185 PolarHBondContact ND1-OE1 3.46Å; H182-Q185 PolarHBondContact O-N 3.49Å; H182-F186 PolarHBondContact O-N 3.05Å
183	Y	79.2	Confident	76.8	Confident	27 Å²	27	70.7 Å²	70.7	11%	0.106	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-38.9	173.2	-173	-128.2	0	0	0	112.1	I161 F162 V165 T179 C180 Y181 Q185 F186 L187 W199	I161-Y183 HydrophobicContact CB-CD2 4.27Å; I161-Y183 HydrophobicContact CG2-CD2 3.35Å; I161-Y183 HydrophobicContact CG2-CE2 4.16Å; I161-Y183 HydrophobicContact CG2-CG 3.98Å; F162-Y183 HydrophobicContact CD2-CE1 4.43Å; V165-Y183 HydrophobicContact CG2-CD1 4.23Å; V165-Y183 HydrophobicContact CG2-CG 4.26Å; T179-Y183 WeakPolarHBondContact O-CB 3.33Å; T179-Y183 PolarHBondContact O-N 3.39Å; C180-Y183 PolarHBondContact O-N 2.95Å; Y181-Y183 VanDerWaalsContact C-N 3.32Å; Y181-Y183 PolarHBondContact O-N 3.4Å; Y183-Q185 PolarHBondContact O-N 2.86Å; Y183-F186 HydrophobicContact CD2-CD1 4.39Å; Y183-F186 HydrophobicContact CE2-CD1 4.29Å; Y183-F186 WeakPolarHBondContact O-CB 3.33Å; Y183-F186 PolarHBondContact O-N 2.88Å; Y183-L187 HydrophobicContact CD1-CD1 4.01Å; Y183-L187 HydrophobicContact CE1-CD1 3.71Å; Y183-L187 HydrophobicContact CE1-CG 4.42Å; Y183-L187 HydrophobicContact CE2-CD1 4.43Å; Y183-L187 HydrophobicContact CE2-CD2 4.47Å; Y183-L187 HydrophobicContact CE2-CG 4.28Å; Y183-L187 HydrophobicContact CG-CD1 4.49Å; Y183-L187 WeakPolarHBondContact O-CG 3.19Å; Y183-L187 PolarHBondContact O-N 3.32Å; Y183-W199 AromaticContact CD1-CD1 3.86Å; Y183-W199 AromaticContact CD1-CD2 3.51Å; Y183-W199 HydrophobicContact CD1-CD2 3.51Å; Y183-W199 AromaticContact CD1-CE2 3.52Å; Y183-W199 AromaticContact CD1-CE3 3.98Å; Y183-W199 HydrophobicContact CD1-CE3 3.98Å; Y183-W199 AromaticContact CD1-CG 3.77Å; Y183-W199 HydrophobicContact CD1-CG 3.77Å; Y183-W199 HydrophobicContact CD1-CH2 4.44Å; Y183-W199 HydrophobicContact CD1-CZ2 4.01Å; Y183-W199 HydrophobicContact CD1-CZ3 4.43Å; Y183-W199 AromaticContact CD1-NE1 3.74Å; Y183-W199 AromaticContact CE1-CD1 3.81Å; Y183-W199 AromaticContact CE1-CD2 3.88Å; Y183-W199 HydrophobicContact CE1-CD2 3.88Å; Y183-W199 AromaticContact CE1-CE2 3.36Å; Y183-W199 HydrophobicContact CE1-CG 4.17Å; Y183-W199 HydrophobicContact CE1-CH2 4.45Å; Y183-W199 AromaticContact CE1-CZ2 3.69Å; Y183-W199 HydrophobicContact CE1-CZ2 3.69Å; Y183-W199 AromaticContact CE1-NE1 3.33Å; Y183-W199 VanDerWaalsContact CE1-NE1 3.33Å
184	A	83.2	Confident	78.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.7	-42.6	173.2	0	0	0	0	0	112	C180 Y181 F186 L187 E188 W199 Y200	C180-A184 WeakPolarHBondContact O-CB 3.44Å; C180-A184 PolarHBondContact O-N 3.3Å; Y181-A184 WeakPolarHBondContact O-CB 3.33Å; Y181-A184 PolarHBondContact O-N 3.25Å; A184-F186 VanDerWaalsContact C-N 3.33Å; A184-F186 PolarHBondContact O-N 3.47Å; A184-L187 PolarHBondContact O-N 3.33Å; A184-E188 PolarHBondContact O-N 3.16Å; A184-W199 HydrophobicContact CB-CB 3.67Å; A184-Y200 HydrophobicContact CB-CD1 3.6Å; A184-Y200 HydrophobicContact CB-CD2 3.91Å; A184-Y200 HydrophobicContact CB-CE1 3.53Å; A184-Y200 HydrophobicContact CB-CE2 3.84Å; A184-Y200 HydrophobicContact CB-CG 3.77Å
185	Q	80.5	Confident	79.2	Confident	58 Å²	58	62.1 Å²	62.1	27%	0.271	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-38.5	174.5	-73	-176.4	-34.1	0	0	112.4	Y181 H182 Y183 E188 K189	Y181-Q185 HydrophobicContact CD1-CG 4.43Å; Y181-Q185 HydrophobicContact CE1-CG 4.04Å; Y181-Q185 VanDerWaalsContact CZ-NE2 3.33Å; Y181-Q185 PolarHBondContact O-N 2.86Å; Y181-Q185 PolarHBondContact OH-NE2 3.27Å; H182-Q185 PolarHBondContact ND1-OE1 3.46Å; H182-Q185 PolarHBondContact O-N 3.49Å; Y183-Q185 PolarHBondContact O-N 2.86Å; Q185-E188 PolarHBondContact O-N 3.11Å; Q185-K189 WeakPolarHBondContact O-CG 3.35Å; Q185-K189 PolarHBondContact O-N 3.38Å
186	F	79.4	Confident	80.2	Confident	60 Å²	60	57.5 Å²	57.5	26%	0.263	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-43.1	174.8	174.5	-92.4	0	0	0	111.6	L158 I161 H182 Y183 A184 K189 S190	L158-F186 HydrophobicContact CD1-CZ 4.42Å; L158-F186 HydrophobicContact CD2-CE1 3.37Å; L158-F186 HydrophobicContact CD2-CZ 3.35Å; L158-F186 HydrophobicContact CG-CE1 4.24Å; L158-F186 HydrophobicContact CG-CZ 3.72Å; I161-F186 HydrophobicContact CD1-CD2 4.07Å; I161-F186 HydrophobicContact CD1-CG 4.16Å; H182-F186 PolarHBondContact O-N 3.05Å; Y183-F186 HydrophobicContact CD2-CD1 4.39Å; Y183-F186 HydrophobicContact CE2-CD1 4.29Å; Y183-F186 WeakPolarHBondContact O-CB 3.33Å; Y183-F186 PolarHBondContact O-N 2.88Å; A184-F186 VanDerWaalsContact C-N 3.33Å; A184-F186 PolarHBondContact O-N 3.47Å; F186-K189 PolarHBondContact O-N 2.93Å; F186-S190 WeakPolarHBondContact O-CB 3.28Å; F186-S190 PolarHBondContact O-N 3.42Å; F186-S190 PolarHBondContact O-OG 3.47Å
187	L	82.4	Confident	80.9	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-36.9	176.2	-70.1	169.7	0	0	0	112.3	Y183 A184 S190 G191 E192 K195 A196 W199	Y183-L187 HydrophobicContact CD1-CD1 4.01Å; Y183-L187 HydrophobicContact CE1-CD1 3.71Å; Y183-L187 HydrophobicContact CE1-CG 4.42Å; Y183-L187 HydrophobicContact CE2-CD1 4.43Å; Y183-L187 HydrophobicContact CE2-CD2 4.47Å; Y183-L187 HydrophobicContact CE2-CG 4.28Å; Y183-L187 HydrophobicContact CG-CD1 4.49Å; Y183-L187 WeakPolarHBondContact O-CG 3.19Å; Y183-L187 PolarHBondContact O-N 3.32Å; A184-L187 PolarHBondContact O-N 3.33Å; L187-S190 PolarHBondContact O-N 2.9Å; L187-G191 PolarHBondContact O-N 2.92Å; L187-E192 HydrophobicContact CD2-CB 4.4Å; L187-E192 WeakPolarHBondContact CD2-OE2 3.43Å; L187-E192 PolarHBondContact O-N 3.49Å; L187-K195 HydrophobicContact CD1-CB 3.92Å; L187-K195 HydrophobicContact CD2-CB 4.5Å; L187-A196 HydrophobicContact CB-CB 4.01Å; L187-W199 HydrophobicContact CD1-CG 4.1Å
188	E	84.5	Confident	81.6	Confident	51 Å²	51	55.8 Å²	55.8	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-57.9	-50.8	171	176.3	-177.4	179.3	0	0	110.5	A184 Q185 S190 G191 A196 Y200 R212 L213	A184-E188 PolarHBondContact O-N 3.16Å; Q185-E188 PolarHBondContact O-N 3.11Å; E188-S190 PolarHBondContact O-N 3.44Å; E188-G191 PolarHBondContact O-N 3.49Å; E188-A196 HydrophobicContact CB-CB 4.46Å; E188-Y200 PolarHBondContact OE2-OH 3.14Å; E188-R212 IonicContact OE1-CZ 3.81Å; E188-R212 IonicContact OE1-NH1 3.8Å; E188-R212 PolarHBondContact OE1-NH1 3.28Å; E188-R212 IonicContact OE1-NH2 3.92Å; E188-R212 PolarHBondContact OE1-NH2 3.43Å; E188-R212 IonicContact OE2-CZ 2.65Å; E188-R212 IonicContact OE2-NH1 3.64Å; E188-R212 IonicContact OE2-NH2 3.6Å; E188-R212 PolarHBondContact OE2-NH2 3Å; E188-L213 HydrophobicContact CB-CD1 4.45Å; E188-L213 HydrophobicContact CG-CD1 3.71Å
189	K	81.2	Confident	82.3	Confident	171 Å²	171	52.9 Å²	52.9	74%	0.743	27%	0.27	S	S	*	.	H	α-helix	trans	-62.5	-29.7	177	-71.8	179.1	-179.2	-179.1	0	112.9	Q185 F186 G191	Q185-K189 WeakPolarHBondContact O-CG 3.35Å; Q185-K189 PolarHBondContact O-N 3.38Å; F186-K189 PolarHBondContact O-N 2.93Å; K189-G191 VanDerWaalsContact C-N 3.26Å; K189-G191 PolarHBondContact O-N 3.32Å
190	S	80.8	Confident	83	Confident	64 Å²	64	51.5 Å²	51.5	45%	0.448	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.7	176.5	-55.7	0	0	0	0	113.4	F186 L187 E188 E192	F186-S190 WeakPolarHBondContact O-CB 3.28Å; F186-S190 PolarHBondContact O-N 3.42Å; F186-S190 PolarHBondContact O-OG 3.47Å; L187-S190 PolarHBondContact O-N 2.9Å; E188-S190 PolarHBondContact O-N 3.44Å; S190-E192 VanDerWaalsContact C-N 3.35Å
191	G	81.4	Confident	83.4	Confident	56 Å²	56	54.5 Å²	54.5	58%	0.577	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	2.9	-178.2	0	0	0	0	0	114.9	L187 E188 K189 T193	L187-G191 PolarHBondContact O-N 2.92Å; E188-G191 PolarHBondContact O-N 3.49Å; K189-G191 VanDerWaalsContact C-N 3.26Å; K189-G191 PolarHBondContact O-N 3.32Å; G191-T193 VanDerWaalsContact C-N 3.33Å; G191-T193 PolarHBondContact O-N 2.88Å
192	E	84.9	Confident	83.7	Confident	80 Å²	80	57.2 Å²	57.2	37%	0.374	29%	0.287	S	S	.	.			trans	-85.8	69.4	179.7	-65.5	-164.1	158.2	0	0	111.6	L187 S190 N194 K195 A196	L187-E192 HydrophobicContact CD2-CB 4.4Å; L187-E192 WeakPolarHBondContact CD2-OE2 3.43Å; L187-E192 PolarHBondContact O-N 3.49Å; S190-E192 VanDerWaalsContact C-N 3.35Å; E192-N194 VanDerWaalsContact C-N 3.28Å; E192-N194 PolarHBondContact O-N 3.03Å; E192-K195 HydrophobicContact CB-CB 4.47Å; E192-K195 PolarHBondContact O-N 2.83Å; E192-K195 IonicContact OE1-NZ 2.83Å; E192-K195 PolarHBondContact OE1-NZ 3.02Å; E192-K195 WeakPolarHBondContact OE2-CD 3.07Å; E192-K195 WeakPolarHBondContact OE2-CE 3.42Å; E192-K195 IonicContact OE2-NZ 2.92Å; E192-K195 PolarHBondContact OE2-NZ 3.12Å; E192-A196 PolarHBondContact O-N 3.05Å
193	T	84.6	Confident	84.1	Confident	48 Å²	48	53.8 Å²	53.8	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-56.9	-37.7	-173.5	59.8	0	0	0	0	113.9	G191 A196 I197	G191-T193 VanDerWaalsContact C-N 3.33Å; G191-T193 PolarHBondContact O-N 2.88Å; T193-A196 PolarHBondContact O-N 2.93Å; T193-I197 WeakPolarHBondContact O-CG1 3.46Å; T193-I197 PolarHBondContact O-N 3.16Å; T193-I197 VanDerWaalsContact O-N 3.07Å
194	N	86.2	Confident	84.2	Confident	87 Å²	87	55.5 Å²	55.5	47%	0.465	29%	0.288	S	S	.	.	H	α-helix	trans	-68.6	-43.3	-175.3	-61.2	-3.5	0	0	0	111.2	E192 I197 E198 R220	E192-N194 VanDerWaalsContact C-N 3.28Å; E192-N194 PolarHBondContact O-N 3.03Å; N194-I197 PolarHBondContact O-N 3.15Å; N194-E198 PolarHBondContact O-N 3.09Å; N194-R220 VanDerWaalsContact OD1-CZ 3.24Å; N194-R220 PolarHBondContact OD1-NH1 3.02Å; N194-R220 PolarHBondContact OD1-NH2 3.32Å
195	K	85.2	Confident	84.2	Confident	97 Å²	97	57.5 Å²	57.5	42%	0.422	30%	0.3	S	S	.	.	H	α-helix	trans	-69.2	-39.6	176.5	-57.3	-164.1	-155.3	147.3	0	110.2	L187 E192 I197 E198 W199	L187-K195 HydrophobicContact CD1-CB 3.92Å; L187-K195 HydrophobicContact CD2-CB 4.5Å; E192-K195 HydrophobicContact CB-CB 4.47Å; E192-K195 PolarHBondContact O-N 2.83Å; E192-K195 IonicContact OE1-NZ 2.83Å; E192-K195 PolarHBondContact OE1-NZ 3.02Å; E192-K195 WeakPolarHBondContact OE2-CD 3.07Å; E192-K195 WeakPolarHBondContact OE2-CE 3.42Å; E192-K195 IonicContact OE2-NZ 2.92Å; E192-K195 PolarHBondContact OE2-NZ 3.12Å; K195-I197 VanDerWaalsContact C-N 3.27Å; K195-I197 PolarHBondContact O-N 2.88Å; K195-E198 WeakPolarHBondContact O-CB 3.46Å; K195-E198 PolarHBondContact O-N 2.88Å; K195-E198 VanDerWaalsContact O-N 3.13Å; K195-W199 PolarHBondContact O-N 3.07Å; K195-W199 VanDerWaalsContact O-N 3.13Å
196	A	86.7	Confident	84.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.6	-41.9	175.7	0	0	0	0	0	112.1	L187 E188 E192 T193 E198 W199 Y200 L213	L187-A196 HydrophobicContact CB-CB 4.01Å; E188-A196 HydrophobicContact CB-CB 4.46Å; E192-A196 PolarHBondContact O-N 3.05Å; T193-A196 PolarHBondContact O-N 2.93Å; A196-E198 PolarHBondContact O-N 2.96Å; A196-W199 PolarHBondContact O-N 3.42Å; A196-Y200 HydrophobicContact CB-CD2 4.4Å; A196-Y200 HydrophobicContact CB-CE2 4.19Å; A196-Y200 WeakPolarHBondContact O-CD2 3.36Å; A196-Y200 PolarHBondContact O-N 3.41Å; A196-L213 HydrophobicContact CB-CD2 4.29Å
197	I	87.6	Confident	84.5	Confident	14 Å²	14	55.6 Å²	55.6	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-48.6	175.6	-69.9	164.4	0	0	0	111.5	T193 N194 K195 W199 Y200 E201 I210 L213 L214 Y224	T193-I197 WeakPolarHBondContact O-CG1 3.46Å; T193-I197 PolarHBondContact O-N 3.16Å; T193-I197 VanDerWaalsContact O-N 3.07Å; N194-I197 PolarHBondContact O-N 3.15Å; K195-I197 VanDerWaalsContact C-N 3.27Å; K195-I197 PolarHBondContact O-N 2.88Å; I197-W199 VanDerWaalsContact C-N 3.27Å; I197-W199 PolarHBondContact O-N 3.42Å; I197-Y200 PolarHBondContact O-N 3.14Å; I197-E201 WeakPolarHBondContact O-CG 3.13Å; I197-E201 PolarHBondContact O-N 3.18Å; I197-I210 HydrophobicContact CG2-CD1 4.1Å; I197-L213 HydrophobicContact CG1-CD2 3.89Å; I197-L214 HydrophobicContact CD1-CD1 4.15Å; I197-L214 HydrophobicContact CD1-CD2 4.14Å; I197-L214 HydrophobicContact CD1-CG 4.36Å; I197-Y224 HydrophobicContact CG2-CE2 3.89Å
198	E	87.7	Confident	84.5	Confident	116 Å²	116	57.6 Å²	57.6	54%	0.542	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-39.5	178.8	-65.8	175.9	-172.9	0	0	112.1	N194 K195 A196 E201 K202	N194-E198 PolarHBondContact O-N 3.09Å; K195-E198 WeakPolarHBondContact O-CB 3.46Å; K195-E198 PolarHBondContact O-N 2.88Å; K195-E198 VanDerWaalsContact O-N 3.13Å; A196-E198 PolarHBondContact O-N 2.96Å; E198-E201 WeakPolarHBondContact O-CB 3.32Å; E198-E201 PolarHBondContact O-N 2.93Å; E198-K202 WeakPolarHBondContact O-CG 3.36Å; E198-K202 PolarHBondContact O-N 3.42Å; E198-K202 VanDerWaalsContact O-N 3.08Å
199	W	85.9	Confident	84.5	Confident	23 Å²	23	56.3 Å²	56.3	9%	0.087	31%	0.306	C	S	.	.	H	α-helix	trans	-76.5	-33.3	178.7	-70.2	104.5	0	0	0	113.2	V165 C180 Y183 A184 L187 K195 A196 I197 E201 K202 A203	V165-W199 HydrophobicContact CG1-CH2 3.56Å; V165-W199 HydrophobicContact CG1-CZ3 3.51Å; V165-W199 HydrophobicContact CG2-CZ3 4.48Å; C180-W199 HydrophobicContact CB-CE3 4.2Å; Y183-W199 AromaticContact CD1-CD1 3.86Å; Y183-W199 AromaticContact CD1-CD2 3.51Å; Y183-W199 HydrophobicContact CD1-CD2 3.51Å; Y183-W199 AromaticContact CD1-CE2 3.52Å; Y183-W199 AromaticContact CD1-CE3 3.98Å; Y183-W199 HydrophobicContact CD1-CE3 3.98Å; Y183-W199 AromaticContact CD1-CG 3.77Å; Y183-W199 HydrophobicContact CD1-CG 3.77Å; Y183-W199 HydrophobicContact CD1-CH2 4.44Å; Y183-W199 HydrophobicContact CD1-CZ2 4.01Å; Y183-W199 HydrophobicContact CD1-CZ3 4.43Å; Y183-W199 AromaticContact CD1-NE1 3.74Å; Y183-W199 AromaticContact CE1-CD1 3.81Å; Y183-W199 AromaticContact CE1-CD2 3.88Å; Y183-W199 HydrophobicContact CE1-CD2 3.88Å; Y183-W199 AromaticContact CE1-CE2 3.36Å; Y183-W199 HydrophobicContact CE1-CG 4.17Å; Y183-W199 HydrophobicContact CE1-CH2 4.45Å; Y183-W199 AromaticContact CE1-CZ2 3.69Å; Y183-W199 HydrophobicContact CE1-CZ2 3.69Å; Y183-W199 AromaticContact CE1-NE1 3.33Å; Y183-W199 VanDerWaalsContact CE1-NE1 3.33Å; A184-W199 HydrophobicContact CB-CB 3.67Å; L187-W199 HydrophobicContact CD1-CG 4.1Å; K195-W199 PolarHBondContact O-N 3.07Å; K195-W199 VanDerWaalsContact O-N 3.13Å; A196-W199 PolarHBondContact O-N 3.42Å; I197-W199 VanDerWaalsContact C-N 3.27Å; I197-W199 PolarHBondContact O-N 3.42Å; W199-E201 VanDerWaalsContact C-N 3.3Å; W199-E201 PolarHBondContact O-N 3.27Å; W199-K202 HydrophobicContact CD2-CD 4.08Å; W199-K202 HydrophobicContact CE3-CB 4.39Å; W199-K202 HydrophobicContact CE3-CD 3.45Å; W199-K202 VanDerWaalsContact CE3-CD 3.45Å; W199-K202 HydrophobicContact CH2-CD 4.14Å; W199-K202 HydrophobicContact CZ3-CD 3.47Å; W199-K202 VanDerWaalsContact CZ3-CD 3.47Å; W199-K202 PolarHBondContact O-N 3.09Å; W199-A203 WeakPolarHBondContact O-CB 3.29Å; W199-A203 PolarHBondContact O-N 3.28Å
200	Y	88.6	Confident	84.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-34.4	170.2	-77.7	-53.7	0	0	0	112.6	Y181 A184 E188 A196 I197 A203 S204 V205 A206 E209 L213	Y181-Y200 HydrophobicContact CD2-CD1 4.14Å; Y181-Y200 AromaticContact CD2-CE1 3.86Å; Y181-Y200 HydrophobicContact CD2-CE1 3.86Å; Y181-Y200 HydrophobicContact CE2-CD1 4.43Å; Y181-Y200 AromaticContact CE2-CE1 3.88Å; Y181-Y200 HydrophobicContact CE2-CE1 3.88Å; A184-Y200 HydrophobicContact CB-CD1 3.6Å; A184-Y200 HydrophobicContact CB-CD2 3.91Å; A184-Y200 HydrophobicContact CB-CE1 3.53Å; A184-Y200 HydrophobicContact CB-CE2 3.84Å; A184-Y200 HydrophobicContact CB-CG 3.77Å; E188-Y200 PolarHBondContact OE2-OH 3.14Å; A196-Y200 HydrophobicContact CB-CD2 4.4Å; A196-Y200 HydrophobicContact CB-CE2 4.19Å; A196-Y200 WeakPolarHBondContact O-CD2 3.36Å; A196-Y200 PolarHBondContact O-N 3.41Å; I197-Y200 PolarHBondContact O-N 3.14Å; Y200-A203 PolarHBondContact O-N 3.24Å; Y200-S204 PolarHBondContact O-N 3.27Å; Y200-V205 PolarHBondContact O-N 3.28Å; Y200-A206 PolarHBondContact O-N 3.3Å; Y200-E209 HydrophobicContact CD1-CB 3.76Å; Y200-E209 HydrophobicContact CD1-CG 3.93Å; Y200-E209 HydrophobicContact CD2-CB 4.33Å; Y200-E209 HydrophobicContact CE1-CB 3.83Å; Y200-E209 HydrophobicContact CE1-CG 3.78Å; Y200-E209 HydrophobicContact CE2-CB 4.39Å; Y200-E209 HydrophobicContact CG-CB 4.04Å; Y200-L213 HydrophobicContact CD2-CD2 4.48Å; Y200-L213 HydrophobicContact CE2-CD2 4.36Å
201	E	87.3	Confident	84.9	Confident	67 Å²	67	45.1 Å²	45.1	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-47.4	171	-72.5	-177.3	-161.4	0	0	111.2	I197 E198 W199 A203 S204 A206 I210 Y224 K228	I197-E201 WeakPolarHBondContact O-CG 3.13Å; I197-E201 PolarHBondContact O-N 3.18Å; E198-E201 WeakPolarHBondContact O-CB 3.32Å; E198-E201 PolarHBondContact O-N 2.93Å; W199-E201 VanDerWaalsContact C-N 3.3Å; W199-E201 PolarHBondContact O-N 3.27Å; E201-A203 VanDerWaalsContact C-N 3.29Å; E201-A203 PolarHBondContact O-N 3.05Å; E201-S204 PolarHBondContact O-N 3.05Å; E201-A206 HydrophobicContact CG-CB 4.34Å; E201-I210 HydrophobicContact CG-CD1 4.15Å; E201-Y224 WeakPolarHBondContact CG-OH 3.48Å; E201-Y224 WeakPolarHBondContact OE1-CE2 3.11Å; E201-Y224 PolarHBondContact OE1-OH 3.13Å; E201-K228 WeakPolarHBondContact OE1-CE 3.18Å; E201-K228 IonicContact OE1-NZ 2.83Å; E201-K228 PolarHBondContact OE1-NZ 3.31Å; E201-K228 IonicContact OE2-NZ 2.64Å; E201-K228 PolarHBondContact OE2-NZ 2.87Å
202	K	84.5	Confident	85.1	Confident	103 Å²	103	48 Å²	48	45%	0.448	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-37.5	174.7	-72	177.6	178.1	-171.3	0	112.6	C180 E198 W199 S204	C180-K202 HydrophobicContact CB-CB 4.36Å; E198-K202 WeakPolarHBondContact O-CG 3.36Å; E198-K202 PolarHBondContact O-N 3.42Å; E198-K202 VanDerWaalsContact O-N 3.08Å; W199-K202 HydrophobicContact CD2-CD 4.08Å; W199-K202 HydrophobicContact CE3-CB 4.39Å; W199-K202 HydrophobicContact CE3-CD 3.45Å; W199-K202 VanDerWaalsContact CE3-CD 3.45Å; W199-K202 HydrophobicContact CH2-CD 4.14Å; W199-K202 HydrophobicContact CZ3-CD 3.47Å; W199-K202 VanDerWaalsContact CZ3-CD 3.47Å; W199-K202 PolarHBondContact O-N 3.09Å; K202-S204 PolarHBondContact O-N 2.97Å
203	A	84.1	Confident	85.1	Confident	3 Å²	3	45.1 Å²	45.1	3%	0.025	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.3	175.8	0	0	0	0	0	113.8	C180 W199 Y200 E201 V205	C180-A203 HydrophobicContact CB-CB 4.02Å; W199-A203 WeakPolarHBondContact O-CB 3.29Å; W199-A203 PolarHBondContact O-N 3.28Å; Y200-A203 PolarHBondContact O-N 3.24Å; E201-A203 VanDerWaalsContact C-N 3.29Å; E201-A203 PolarHBondContact O-N 3.05Å; A203-V205 HydrophobicContact CB-CG2 4.06Å; A203-V205 WeakPolarHBondContact O-CG2 3.34Å; A203-V205 PolarHBondContact O-N 2.85Å
204	S	81.5	Confident	85.2	Confident	63 Å²	63	43 Å²	43	44%	0.441	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	18.1	-172.7	-44.7	0	0	0	0	114.8	K177 Y200 E201 K202	K177-S204 PolarHBondContact NZ-OG 3.01Å; Y200-S204 PolarHBondContact O-N 3.27Å; E201-S204 PolarHBondContact O-N 3.05Å; K202-S204 PolarHBondContact O-N 2.97Å
205	V	84.3	Confident	85.2	Confident	41 Å²	41	42.3 Å²	42.3	25%	0.248	21%	0.212	C	C	.	.			trans	-104.8	11.1	-180	-157.3	0	0	0	0	111.9	Y181 Y200 A203 H207 A208 E209	Y181-V205 HydrophobicContact CD2-CB 4.31Å; Y181-V205 HydrophobicContact CD2-CG2 4.03Å; Y181-V205 HydrophobicContact CE2-CG1 4.36Å; Y200-V205 PolarHBondContact O-N 3.28Å; A203-V205 HydrophobicContact CB-CG2 4.06Å; A203-V205 WeakPolarHBondContact O-CG2 3.34Å; A203-V205 PolarHBondContact O-N 2.85Å; V205-H207 PolarHBondContact O-N 3.25Å; V205-A208 HydrophobicContact CG1-CB 4.4Å; V205-A208 PolarHBondContact O-N 3.46Å; V205-A208 VanDerWaalsContact O-N 3.1Å; V205-E209 HydrophobicContact CB-CG 4.31Å; V205-E209 HydrophobicContact CG1-CG 3.82Å; V205-E209 PolarHBondContact O-N 2.91Å; V205-E209 VanDerWaalsContact O-N 3.15Å
206	A	82.9	Confident	85.1	Confident	15 Å²	15	42.5 Å²	42.5	12%	0.124	22%	0.224	C	C	.	.	H	α-helix	trans	-46.8	-39.6	179.6	0	0	0	0	0	114.7	Y200 E201 A208 I210 P211	Y200-A206 PolarHBondContact O-N 3.3Å; E201-A206 HydrophobicContact CG-CB 4.34Å; A206-A208 VanDerWaalsContact C-N 3.3Å; A206-A208 PolarHBondContact O-N 3.28Å; A206-I210 HydrophobicContact CB-CD1 3.46Å; A206-I210 VanDerWaalsContact CB-CD1 3.46Å; A206-I210 HydrophobicContact CB-CG1 4.32Å; A206-I210 VanDerWaalsContact O-CB 3.27Å; A206-I210 WeakPolarHBondContact O-CB 3.45Å; A206-I210 WeakPolarHBondContact O-CG1 3.41Å; A206-I210 PolarHBondContact O-N 2.97Å; A206-P211 VanDerWaalsContact O-CD 3.31Å; A206-P211 WeakPolarHBondContact O-CD 3.26Å
207	H	82.1	Confident	85.1	Confident	63 Å²	63	48.7 Å²	48.7	29%	0.292	25%	0.251	S	S	.	.	H	α-helix	trans	-68.4	-21.9	-175.7	64.5	-78.9	0	0	0	115.1	V205 R232	V205-H207 PolarHBondContact O-N 3.25Å; H207-R232 HydrophobicContact CB-CB 4Å
208	A	81.6	Confident	84.9	Confident	47 Å²	47	50.4 Å²	50.4	39%	0.388	26%	0.26	S	S	.	.	H	α-helix	trans	-106.8	-45.4	-179.7	0	0	0	0	0	111.6	V205 A206	V205-A208 HydrophobicContact CG1-CB 4.4Å; V205-A208 PolarHBondContact O-N 3.46Å; V205-A208 VanDerWaalsContact O-N 3.1Å; A206-A208 VanDerWaalsContact C-N 3.3Å; A206-A208 PolarHBondContact O-N 3.28Å
209	E	84.5	Confident	84.9	Confident	24 Å²	24	49.2 Å²	49.2	11%	0.112	26%	0.264	C	S	.	.	H	α-helix	trans	-81.9	-36.5	-172.5	-65.4	-66.2	171.2	0	0	113.5	Y181 Y200 V205 R212 L213	Y181-E209 HydrophobicContact CE2-CG 3.8Å; Y181-E209 WeakPolarHBondContact CE2-OE1 3.27Å; Y181-E209 PolarHBondContact OH-OE1 3.49Å; Y200-E209 HydrophobicContact CD1-CB 3.76Å; Y200-E209 HydrophobicContact CD1-CG 3.93Å; Y200-E209 HydrophobicContact CD2-CB 4.33Å; Y200-E209 HydrophobicContact CE1-CB 3.83Å; Y200-E209 HydrophobicContact CE1-CG 3.78Å; Y200-E209 HydrophobicContact CE2-CB 4.39Å; Y200-E209 HydrophobicContact CG-CB 4.04Å; V205-E209 HydrophobicContact CB-CG 4.31Å; V205-E209 HydrophobicContact CG1-CG 3.82Å; V205-E209 PolarHBondContact O-N 2.91Å; V205-E209 VanDerWaalsContact O-N 3.15Å; E209-R212 WeakPolarHBondContact O-CB 3.2Å; E209-R212 PolarHBondContact O-N 3.43Å; E209-R212 IonicContact OE2-CZ 2.69Å; E209-R212 VanDerWaalsContact OE2-CZ 3.29Å; E209-R212 IonicContact OE2-NE 3.1Å; E209-R212 PolarHBondContact OE2-NE 3.4Å; E209-R212 IonicContact OE2-NH2 3.31Å; E209-R212 PolarHBondContact OE2-NH2 3.49Å; E209-L213 WeakPolarHBondContact O-CB 3.28Å; E209-L213 PolarHBondContact O-N 3.28Å
210	I	85.3	Confident	85	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-43	-177.1	-60.8	171.6	0	0	0	111.5	I197 E201 A206 R212 L213 L214 Y224	I197-I210 HydrophobicContact CG2-CD1 4.1Å; E201-I210 HydrophobicContact CG-CD1 4.15Å; A206-I210 HydrophobicContact CB-CD1 3.46Å; A206-I210 VanDerWaalsContact CB-CD1 3.46Å; A206-I210 HydrophobicContact CB-CG1 4.32Å; A206-I210 VanDerWaalsContact O-CB 3.27Å; A206-I210 WeakPolarHBondContact O-CB 3.45Å; A206-I210 WeakPolarHBondContact O-CG1 3.41Å; A206-I210 PolarHBondContact O-N 2.97Å; I210-R212 VanDerWaalsContact C-N 3.26Å; I210-R212 PolarHBondContact O-N 3.42Å; I210-L213 PolarHBondContact O-N 3.35Å; I210-L214 HydrophobicContact CG2-CD1 3.64Å; I210-L214 HydrophobicContact CG2-CG 4.15Å; I210-L214 WeakPolarHBondContact O-CB 3.32Å; I210-L214 PolarHBondContact O-N 3.05Å; I210-Y224 HydrophobicContact CB-CE1 4.28Å; I210-Y224 HydrophobicContact CD1-CE1 3.8Å; I210-Y224 HydrophobicContact CD1-CE2 4.31Å; I210-Y224 VanDerWaalsContact CD1-CZ 3.47Å; I210-Y224 WeakPolarHBondContact CD1-OH 3.18Å; I210-Y224 HydrophobicContact CG2-CD1 3.82Å; I210-Y224 HydrophobicContact CG2-CE1 3.67Å; I210-Y224 HydrophobicContact CG2-CG 4.37Å
211	P	85	Confident	84.9	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-35.8	171.4	-25.7	35.2	0	0	0	113.6	A206 L215 L221 L233 W236	A206-P211 VanDerWaalsContact O-CD 3.31Å; A206-P211 WeakPolarHBondContact O-CD 3.26Å; P211-L215 WeakPolarHBondContact O-CB 3.4Å; P211-L215 PolarHBondContact O-N 3.25Å; P211-L221 HydrophobicContact CB-CD1 4.37Å; P211-L221 HydrophobicContact CB-CD2 4.38Å; P211-L221 HydrophobicContact CG-CD1 4.46Å; P211-L233 HydrophobicContact CG-CD2 3.67Å; P211-W236 HydrophobicContact CB-CD2 3.43Å; P211-W236 VanDerWaalsContact CB-CD2 3.43Å; P211-W236 HydrophobicContact CB-CE3 3.57Å; P211-W236 HydrophobicContact CB-CG 4.12Å; P211-W236 HydrophobicContact CB-CH2 3.55Å; P211-W236 HydrophobicContact CB-CZ2 3.41Å; P211-W236 VanDerWaalsContact CB-CZ2 3.41Å; P211-W236 HydrophobicContact CB-CZ3 3.66Å; P211-W236 HydrophobicContact CG-CD2 3.97Å; P211-W236 HydrophobicContact CG-CE3 4.21Å; P211-W236 HydrophobicContact CG-CG 4.2Å
212	R	85.9	Confident	84.9	Confident	115 Å²	115	51.4 Å²	51.4	43%	0.434	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-48	173.9	-176.4	-175.1	68.3	79.5	0.6	111.4	E188 E209 I210	E188-R212 IonicContact OE1-CZ 3.81Å; E188-R212 IonicContact OE1-NH1 3.8Å; E188-R212 PolarHBondContact OE1-NH1 3.28Å; E188-R212 IonicContact OE1-NH2 3.92Å; E188-R212 PolarHBondContact OE1-NH2 3.43Å; E188-R212 IonicContact OE2-CZ 2.65Å; E188-R212 IonicContact OE2-NH1 3.64Å; E188-R212 IonicContact OE2-NH2 3.6Å; E188-R212 PolarHBondContact OE2-NH2 3Å; E209-R212 WeakPolarHBondContact O-CB 3.2Å; E209-R212 PolarHBondContact O-N 3.43Å; E209-R212 IonicContact OE2-CZ 2.69Å; E209-R212 VanDerWaalsContact OE2-CZ 3.29Å; E209-R212 IonicContact OE2-NE 3.1Å; E209-R212 PolarHBondContact OE2-NE 3.4Å; E209-R212 IonicContact OE2-NH2 3.31Å; E209-R212 PolarHBondContact OE2-NH2 3.49Å; I210-R212 VanDerWaalsContact C-N 3.26Å; I210-R212 PolarHBondContact O-N 3.42Å
213	L	85.2	Confident	85.2	Confident	21 Å²	21	52.2 Å²	52.2	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-41.5	-177.9	-177.2	68	0	0	0	112.5	E188 A196 I197 Y200 E209 I210 P216	E188-L213 HydrophobicContact CB-CD1 4.45Å; E188-L213 HydrophobicContact CG-CD1 3.71Å; A196-L213 HydrophobicContact CB-CD2 4.29Å; I197-L213 HydrophobicContact CG1-CD2 3.89Å; Y200-L213 HydrophobicContact CD2-CD2 4.48Å; Y200-L213 HydrophobicContact CE2-CD2 4.36Å; E209-L213 WeakPolarHBondContact O-CB 3.28Å; E209-L213 PolarHBondContact O-N 3.28Å; I210-L213 PolarHBondContact O-N 3.35Å; L213-P216 WeakPolarHBondContact O-CD 3.34Å
214	L	87.3	Confident	85.3	Confident	2 Å²	2	53 Å²	53	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-93.7	0.7	-176.7	-66.7	179.7	0	0	0	113.8	I197 I210 P216 F217 R220 L221 Y224	I197-L214 HydrophobicContact CD1-CD1 4.15Å; I197-L214 HydrophobicContact CD1-CD2 4.14Å; I197-L214 HydrophobicContact CD1-CG 4.36Å; I210-L214 HydrophobicContact CG2-CD1 3.64Å; I210-L214 HydrophobicContact CG2-CG 4.15Å; I210-L214 WeakPolarHBondContact O-CB 3.32Å; I210-L214 PolarHBondContact O-N 3.05Å; L214-P216 VanDerWaalsContact C-N 3.29Å; L214-F217 CarbonylContact O-C 3.16Å; L214-F217 WeakPolarHBondContact O-CA 3.44Å; L214-F217 PolarHBondContact O-N 3.3Å; L214-R220 HydrophobicContact CD1-CG 4.5Å; L214-R220 HydrophobicContact CD2-CG 4.27Å; L214-L221 HydrophobicContact CB-CB 3.96Å; L214-L221 HydrophobicContact CB-CD1 4.15Å; L214-L221 HydrophobicContact CD1-CD1 4.3Å; L214-Y224 HydrophobicContact CD1-CG 4.49Å
215	L	85	Confident	85.6	Confident	74 Å²	74	50.1 Å²	50.1	39%	0.387	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-50.8	-41	177.3	-174.5	71	0	0	0	113.4	P211 F217 W236 Y240	P211-L215 WeakPolarHBondContact O-CB 3.4Å; P211-L215 PolarHBondContact O-N 3.25Å; L215-F217 PolarHBondContact O-N 3.33Å; L215-W236 HydrophobicContact CD1-CH2 3.86Å; L215-Y240 HydrophobicContact CD1-CD2 4.05Å; L215-Y240 HydrophobicContact CD1-CE2 3.47Å; L215-Y240 VanDerWaalsContact CD1-CE2 3.47Å
216	P	84	Confident	85.8	Confident	101 Å²	101	55.1 Å²	55.1	66%	0.656	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-64.2	-21.4	176.2	-21.3	34.2	0	0	0	114.1	L213 L214	L213-P216 WeakPolarHBondContact O-CD 3.34Å; L214-P216 VanDerWaalsContact C-N 3.29Å
217	F	85.8	Confident	86.1	Confident	129 Å²	129	61.6 Å²	61.6	57%	0.566	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-121.7	65.5	-175.7	-55.1	-71.4	0	0	0	110.5	L214 L215 S219 R220 L221	L214-F217 CarbonylContact O-C 3.16Å; L214-F217 WeakPolarHBondContact O-CA 3.44Å; L214-F217 PolarHBondContact O-N 3.3Å; L215-F217 PolarHBondContact O-N 3.33Å; F217-S219 VanDerWaalsContact C-N 3.26Å; F217-S219 PolarHBondContact O-N 3.11Å; F217-S219 VanDerWaalsContact O-N 3.13Å; F217-R220 HydrophobicContact CB-CB 4.14Å; F217-R220 WeakPolarHBondContact O-CB 3.37Å; F217-R220 PolarHBondContact O-N 3.01Å; F217-L221 PolarHBondContact O-N 3.32Å
218	L	85.3	Confident	86.3	Confident	50 Å²	50	63.1 Å²	63.1	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-51.7	-39.9	-173.4	-174.8	65.2	0	0	0	113.9	R220 L221 E222 L237 Y240	L218-R220 VanDerWaalsContact C-N 3.27Å; L218-R220 PolarHBondContact O-N 3.44Å; L218-L221 HydrophobicContact CD1-CD2 4.48Å; L218-L221 WeakPolarHBondContact O-CB 3.3Å; L218-L221 PolarHBondContact O-N 2.93Å; L218-L221 VanDerWaalsContact O-N 3.12Å; L218-E222 HydrophobicContact CD1-CG 4.49Å; L218-E222 HydrophobicContact CG-CG 4.42Å; L218-E222 PolarHBondContact O-N 3.4Å; L218-L237 HydrophobicContact CD1-CD1 4.3Å; L218-Y240 HydrophobicContact CD1-CD1 4.18Å; L218-Y240 HydrophobicContact CD1-CE1 3.69Å; L218-Y240 HydrophobicContact CD2-CE1 4.23Å
219	S	86.5	Confident	86.4	Confident	91 Å²	91	68.4 Å²	68.4	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-57.6	-42.3	178.1	-51.1	0	0	0	0	112.1	F217 L221 E222 E223	F217-S219 VanDerWaalsContact C-N 3.26Å; F217-S219 PolarHBondContact O-N 3.11Å; F217-S219 VanDerWaalsContact O-N 3.13Å; S219-L221 VanDerWaalsContact C-N 3.34Å; S219-E222 PolarHBondContact O-N 3.4Å; S219-E223 WeakPolarHBondContact O-CG 2.94Å; S219-E223 PolarHBondContact O-N 3.23Å; S219-E223 VanDerWaalsContact O-N 3.11Å
220	R	87.7	Confident	86.4	Confident	98 Å²	98	70.2 Å²	70.2	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-70.2	-34	178.9	-169.1	173.1	-176.3	-173	-0.4	111.9	N194 L214 F217 L218 Y224	N194-R220 VanDerWaalsContact OD1-CZ 3.24Å; N194-R220 PolarHBondContact OD1-NH1 3.02Å; N194-R220 PolarHBondContact OD1-NH2 3.32Å; L214-R220 HydrophobicContact CD1-CG 4.5Å; L214-R220 HydrophobicContact CD2-CG 4.27Å; F217-R220 HydrophobicContact CB-CB 4.14Å; F217-R220 WeakPolarHBondContact O-CB 3.37Å; F217-R220 PolarHBondContact O-N 3.01Å; L218-R220 VanDerWaalsContact C-N 3.27Å; L218-R220 PolarHBondContact O-N 3.44Å; R220-Y224 WeakPolarHBondContact O-CB 3.45Å; R220-Y224 PolarHBondContact O-N 3.26Å
221	L	87.9	Confident	86.5	Confident	0 Å²	0	74 Å²	74	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66.7	-46.3	173.9	-178.6	60.2	0	0	0	111.2	P211 L214 F217 L218 S219 E223 Y224 V225 W236 L237	P211-L221 HydrophobicContact CB-CD1 4.37Å; P211-L221 HydrophobicContact CB-CD2 4.38Å; P211-L221 HydrophobicContact CG-CD1 4.46Å; L214-L221 HydrophobicContact CB-CB 3.96Å; L214-L221 HydrophobicContact CB-CD1 4.15Å; L214-L221 HydrophobicContact CD1-CD1 4.3Å; F217-L221 PolarHBondContact O-N 3.32Å; L218-L221 HydrophobicContact CD1-CD2 4.48Å; L218-L221 WeakPolarHBondContact O-CB 3.3Å; L218-L221 PolarHBondContact O-N 2.93Å; L218-L221 VanDerWaalsContact O-N 3.12Å; S219-L221 VanDerWaalsContact C-N 3.34Å; L221-E223 VanDerWaalsContact C-N 3.32Å; L221-E223 PolarHBondContact O-N 2.82Å; L221-Y224 WeakPolarHBondContact O-CB 3.47Å; L221-Y224 PolarHBondContact O-N 2.79Å; L221-V225 HydrophobicContact CD1-CG2 4.16Å; L221-V225 HydrophobicContact CG-CG2 4.43Å; L221-V225 VanDerWaalsContact O-CG2 3.31Å; L221-V225 WeakPolarHBondContact O-CG2 3.25Å; L221-V225 PolarHBondContact O-N 3.02Å; L221-W236 HydrophobicContact CD2-CE3 4.34Å; L221-W236 HydrophobicContact CD2-CH2 4.12Å; L221-W236 HydrophobicContact CD2-CZ3 3.55Å; L221-L237 HydrophobicContact CD2-CD1 4.29Å
222	E	87.3	Confident	86.5	Confident	38 Å²	38	81 Å²	81	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-61.3	-40	178.8	-69.4	-174.4	175.5	0	0	112	L218 S219 R226 L237 K241	L218-E222 HydrophobicContact CD1-CG 4.49Å; L218-E222 HydrophobicContact CG-CG 4.42Å; L218-E222 PolarHBondContact O-N 3.4Å; S219-E222 PolarHBondContact O-N 3.4Å; E222-R226 WeakPolarHBondContact O-CB 3.37Å; E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 2.88Å; E222-R226 VanDerWaalsContact O-N 3.09Å; E222-L237 HydrophobicContact CG-CD1 4.39Å; E222-L237 HydrophobicContact CG-CD2 4.14Å; E222-K241 VanDerWaalsContact OE1-CE 3.24Å; E222-K241 WeakPolarHBondContact OE1-CE 3.3Å; E222-K241 IonicContact OE1-NZ 3.21Å; E222-K241 PolarHBondContact OE1-NZ 3.09Å
223	E	88.9	Confident	86.6	Confident	120 Å²	120	75.7 Å²	75.7	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-61.2	-49.6	171.9	-73.3	171.2	-177.1	0	0	111.4	S219 L221 V225 R226 E227	S219-E223 WeakPolarHBondContact O-CG 2.94Å; S219-E223 PolarHBondContact O-N 3.23Å; S219-E223 VanDerWaalsContact O-N 3.11Å; L221-E223 VanDerWaalsContact C-N 3.32Å; L221-E223 PolarHBondContact O-N 2.82Å; E223-V225 VanDerWaalsContact C-N 3.34Å; E223-V225 PolarHBondContact O-N 2.99Å; E223-R226 PolarHBondContact O-N 3.25Å; E223-R226 VanDerWaalsContact O-N 3.17Å; E223-E227 WeakPolarHBondContact O-CG 2.93Å; E223-E227 PolarHBondContact O-N 2.77Å
224	Y	87.9	Confident	86.8	Confident	21 Å²	21	75.3 Å²	75.3	8%	0.082	36%	0.355	C	S	.	.	H	α-helix	trans	-58.2	-43.6	178.6	180	-95.5	0	0	0	112.7	I197 E201 I210 L214 R220 L221 E227 K228 L233	I197-Y224 HydrophobicContact CG2-CE2 3.89Å; E201-Y224 WeakPolarHBondContact CG-OH 3.48Å; E201-Y224 WeakPolarHBondContact OE1-CE2 3.11Å; E201-Y224 PolarHBondContact OE1-OH 3.13Å; I210-Y224 HydrophobicContact CB-CE1 4.28Å; I210-Y224 HydrophobicContact CD1-CE1 3.8Å; I210-Y224 HydrophobicContact CD1-CE2 4.31Å; I210-Y224 VanDerWaalsContact CD1-CZ 3.47Å; I210-Y224 WeakPolarHBondContact CD1-OH 3.18Å; I210-Y224 HydrophobicContact CG2-CD1 3.82Å; I210-Y224 HydrophobicContact CG2-CE1 3.67Å; I210-Y224 HydrophobicContact CG2-CG 4.37Å; L214-Y224 HydrophobicContact CD1-CG 4.49Å; R220-Y224 WeakPolarHBondContact O-CB 3.45Å; R220-Y224 PolarHBondContact O-N 3.26Å; L221-Y224 WeakPolarHBondContact O-CB 3.47Å; L221-Y224 PolarHBondContact O-N 2.79Å; Y224-E227 PolarHBondContact O-N 3.34Å; Y224-K228 HydrophobicContact CD1-CG 4.49Å; Y224-K228 HydrophobicContact CD2-CG 4.33Å; Y224-K228 HydrophobicContact CE1-CG 4.02Å; Y224-K228 HydrophobicContact CE2-CD 4.37Å; Y224-K228 HydrophobicContact CE2-CG 3.85Å; Y224-K228 WeakPolarHBondContact O-CG 3.32Å; Y224-K228 PolarHBondContact O-N 3.27Å; Y224-L233 HydrophobicContact CD1-CD1 4.14Å; Y224-L233 HydrophobicContact CE1-CD1 3.66Å
225	V	88	Confident	86.9	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.012	37%	0.368	C	S	.	.	H	α-helix	trans	-64.8	-41.5	177.9	176.3	0	0	0	0	111.2	L221 E223 K229 L233 F234 L237	L221-V225 HydrophobicContact CD1-CG2 4.16Å; L221-V225 HydrophobicContact CG-CG2 4.43Å; L221-V225 VanDerWaalsContact O-CG2 3.31Å; L221-V225 WeakPolarHBondContact O-CG2 3.25Å; L221-V225 PolarHBondContact O-N 3.02Å; E223-V225 VanDerWaalsContact C-N 3.34Å; E223-V225 PolarHBondContact O-N 2.99Å; V225-K229 PolarHBondContact O-N 3.1Å; V225-L233 HydrophobicContact CB-CB 4.43Å; V225-L233 HydrophobicContact CG1-CB 3.93Å; V225-L233 HydrophobicContact CG2-CB 3.87Å; V225-L233 HydrophobicContact CG2-CD1 4.46Å; V225-F234 HydrophobicContact CG1-CD1 3.43Å; V225-F234 VanDerWaalsContact CG1-CD1 3.43Å; V225-F234 HydrophobicContact CG1-CE1 3.51Å; V225-F234 HydrophobicContact CG1-CG 4Å; V225-F234 HydrophobicContact CG1-CZ 4.14Å; V225-L237 HydrophobicContact CB-CD2 4.46Å; V225-L237 HydrophobicContact CG1-CD2 4.4Å; V225-L237 HydrophobicContact CG2-CD2 4.48Å
226	R	87.6	Confident	87.1	Confident	146 Å²	146	78.3 Å²	78.3	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-67.4	-35.8	177.4	-75.8	178.7	-179.3	164.2	7.4	112.9	E222 E223 K229	E222-R226 WeakPolarHBondContact O-CB 3.37Å; E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 2.88Å; E222-R226 VanDerWaalsContact O-N 3.09Å; E223-R226 PolarHBondContact O-N 3.25Å; E223-R226 VanDerWaalsContact O-N 3.17Å; R226-K229 VanDerWaalsContact O-CG 3.25Å; R226-K229 WeakPolarHBondContact O-CG 3.38Å
227	E	89.3	Confident	87.3	Confident	150 Å²	150	73.5 Å²	73.5	70%	0.701	33%	0.332	S	S	*	.	H	α-helix	trans	-69.6	-48.3	177.2	-74.8	-177.1	170.4	0	0	112	E223 Y224	E223-E227 WeakPolarHBondContact O-CG 2.93Å; E223-E227 PolarHBondContact O-N 2.77Å; Y224-E227 PolarHBondContact O-N 3.34Å
228	K	86.2	Confident	87.5	Confident	95 Å²	95	67.3 Å²	67.3	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-77.4	-27.3	-176.7	-64.9	-65.2	-176.6	171.5	0	113.8	E201 Y224 D230 L233	E201-K228 WeakPolarHBondContact OE1-CE 3.18Å; E201-K228 IonicContact OE1-NZ 2.83Å; E201-K228 PolarHBondContact OE1-NZ 3.31Å; E201-K228 IonicContact OE2-NZ 2.64Å; E201-K228 PolarHBondContact OE2-NZ 2.87Å; Y224-K228 HydrophobicContact CD1-CG 4.49Å; Y224-K228 HydrophobicContact CD2-CG 4.33Å; Y224-K228 HydrophobicContact CE1-CG 4.02Å; Y224-K228 HydrophobicContact CE2-CD 4.37Å; Y224-K228 HydrophobicContact CE2-CG 3.85Å; Y224-K228 WeakPolarHBondContact O-CG 3.32Å; Y224-K228 PolarHBondContact O-N 3.27Å; K228-D230 PolarHBondContact O-N 3.06Å; K228-L233 HydrophobicContact CB-CD1 4.39Å
229	K	83.3	Confident	87.7	Confident	158 Å²	158	71 Å²	71	69%	0.687	32%	0.319	S	S	*	.			trans	53.9	30.3	-178.8	-57.8	-177.4	179.4	176.6	0	114.7	V225 R226 F234	V225-K229 PolarHBondContact O-N 3.1Å; R226-K229 VanDerWaalsContact O-CG 3.25Å; R226-K229 WeakPolarHBondContact O-CG 3.38Å; K229-F234 HydrophobicContact CB-CE2 4.32Å
230	D	85.6	Confident	87.9	Confident	62 Å²	62	69.7 Å²	69.7	33%	0.332	30%	0.301	S	S	.	.			trans	-76.7	128.3	176.2	-171.8	-4.4	0	0	0	110.8	K228 R232 L233 F234	K228-D230 PolarHBondContact O-N 3.06Å; D230-R232 PolarHBondContact O-N 2.91Å; D230-R232 PolarHBondContact OD1-N 3.18Å; D230-R232 VanDerWaalsContact OD1-N 3.13Å; D230-L233 HydrophobicContact CB-CB 4.26Å; D230-L233 HydrophobicContact CB-CD1 3.92Å; D230-L233 HydrophobicContact CB-CG 4.08Å; D230-L233 PolarHBondContact O-N 3.31Å; D230-F234 WeakPolarHBondContact O-CD2 3.44Å; D230-F234 PolarHBondContact O-N 3.23Å; D230-F234 VanDerWaalsContact O-N 3.13Å
231	L	87.3	Confident	88	Confident	80 Å²	80	66.4 Å²	66.4	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-36.1	178.6	-63.1	171.5	0	0	0	112	F234 Q235	L231-F234 PolarHBondContact O-N 2.93Å; L231-Q235 WeakPolarHBondContact O-CG 3.35Å; L231-Q235 PolarHBondContact O-N 3.1Å
232	R	85.4	Confident	88.1	Confident	149 Å²	149	68.2 Å²	68.2	56%	0.562	30%	0.298	S	S	*	.	H	α-helix	trans	-69.1	-38.5	-179.2	-65.7	-176.2	-177.7	-170.3	2.1	111.9	H207 D230 Q235 W236	H207-R232 HydrophobicContact CB-CB 4Å; D230-R232 PolarHBondContact O-N 2.91Å; D230-R232 PolarHBondContact OD1-N 3.18Å; D230-R232 VanDerWaalsContact OD1-N 3.13Å; R232-Q235 PolarHBondContact O-N 3.17Å; R232-W236 PolarHBondContact O-N 3.28Å
233	L	87.5	Confident	88.1	Confident	2 Å²	2	71 Å²	71	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-66.1	-41.8	176	-72.2	175.3	0	0	0	111.2	P211 Y224 V225 K228 D230 Q235 W236 L237	P211-L233 HydrophobicContact CG-CD2 3.67Å; Y224-L233 HydrophobicContact CD1-CD1 4.14Å; Y224-L233 HydrophobicContact CE1-CD1 3.66Å; V225-L233 HydrophobicContact CB-CB 4.43Å; V225-L233 HydrophobicContact CG1-CB 3.93Å; V225-L233 HydrophobicContact CG2-CB 3.87Å; V225-L233 HydrophobicContact CG2-CD1 4.46Å; K228-L233 HydrophobicContact CB-CD1 4.39Å; D230-L233 HydrophobicContact CB-CB 4.26Å; D230-L233 HydrophobicContact CB-CD1 3.92Å; D230-L233 HydrophobicContact CB-CG 4.08Å; D230-L233 PolarHBondContact O-N 3.31Å; L233-Q235 VanDerWaalsContact C-N 3.33Å; L233-Q235 PolarHBondContact O-N 3.26Å; L233-W236 PolarHBondContact O-N 3.42Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 PolarHBondContact O-N 3.32Å
234	F	89.5	Confident	88.1	Confident	13 Å²	13	69.5 Å²	69.5	6%	0.057	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-40.9	172.5	-72.3	-59.3	0	0	0	112.5	V225 K229 D230 L231 L237 A238 Y253 E256 A257	V225-F234 HydrophobicContact CG1-CD1 3.43Å; V225-F234 VanDerWaalsContact CG1-CD1 3.43Å; V225-F234 HydrophobicContact CG1-CE1 3.51Å; V225-F234 HydrophobicContact CG1-CG 4Å; V225-F234 HydrophobicContact CG1-CZ 4.14Å; K229-F234 HydrophobicContact CB-CE2 4.32Å; D230-F234 WeakPolarHBondContact O-CD2 3.44Å; D230-F234 PolarHBondContact O-N 3.23Å; D230-F234 VanDerWaalsContact O-N 3.13Å; L231-F234 PolarHBondContact O-N 2.93Å; F234-L237 PolarHBondContact O-N 3.46Å; F234-A238 VanDerWaalsContact O-CB 3.29Å; F234-A238 WeakPolarHBondContact O-CB 3.3Å; F234-A238 PolarHBondContact O-N 3.38Å; F234-Y253 AromaticContact CD1-CD1 3.79Å; F234-Y253 HydrophobicContact CD1-CD1 3.79Å; F234-Y253 HydrophobicContact CD1-CE1 4.36Å; F234-Y253 HydrophobicContact CE1-CD1 4.24Å; F234-Y253 HydrophobicContact CE1-CE1 4.45Å; F234-E256 HydrophobicContact CD1-CB 4.09Å; F234-E256 WeakPolarHBondContact CD1-OE2 3.27Å; F234-E256 HydrophobicContact CD2-CB 4.32Å; F234-E256 HydrophobicContact CE1-CB 4.22Å; F234-E256 WeakPolarHBondContact CE1-OE2 3.01Å; F234-E256 HydrophobicContact CE2-CB 4.43Å; F234-E256 HydrophobicContact CG-CB 4.14Å; F234-E256 HydrophobicContact CZ-CB 4.39Å; F234-E256 WeakPolarHBondContact CZ-OE2 3.29Å; F234-A257 HydrophobicContact CB-CB 3.76Å
235	Q	88.8	Confident	88	Confident	62 Å²	62	75 Å²	75	29%	0.29	35%	0.348	S	S	.	.	H	α-helix	trans	-64	-40	175.6	-71.1	-179.6	10.2	0	0	112.7	L231 R232 L233 K239 A257 N259	L231-Q235 WeakPolarHBondContact O-CG 3.35Å; L231-Q235 PolarHBondContact O-N 3.1Å; R232-Q235 PolarHBondContact O-N 3.17Å; L233-Q235 VanDerWaalsContact C-N 3.33Å; L233-Q235 PolarHBondContact O-N 3.26Å; Q235-K239 WeakPolarHBondContact O-CG 3.06Å; Q235-K239 PolarHBondContact O-N 2.99Å; Q235-A257 HydrophobicContact CG-CB 3.56Å; Q235-N259 HydrophobicContact CG-CB 4.34Å
236	W	89.4	Confident	88.1	Confident	77 Å²	77	78 Å²	78	29%	0.292	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-46.5	177.2	-172.3	100.4	0	0	0	110.7	P211 L215 L221 R232 L233 A238 K239 Y240	P211-W236 HydrophobicContact CB-CD2 3.43Å; P211-W236 VanDerWaalsContact CB-CD2 3.43Å; P211-W236 HydrophobicContact CB-CE3 3.57Å; P211-W236 HydrophobicContact CB-CG 4.12Å; P211-W236 HydrophobicContact CB-CH2 3.55Å; P211-W236 HydrophobicContact CB-CZ2 3.41Å; P211-W236 VanDerWaalsContact CB-CZ2 3.41Å; P211-W236 HydrophobicContact CB-CZ3 3.66Å; P211-W236 HydrophobicContact CG-CD2 3.97Å; P211-W236 HydrophobicContact CG-CE3 4.21Å; P211-W236 HydrophobicContact CG-CG 4.2Å; L215-W236 HydrophobicContact CD1-CH2 3.86Å; L221-W236 HydrophobicContact CD2-CE3 4.34Å; L221-W236 HydrophobicContact CD2-CH2 4.12Å; L221-W236 HydrophobicContact CD2-CZ3 3.55Å; R232-W236 PolarHBondContact O-N 3.28Å; L233-W236 PolarHBondContact O-N 3.42Å; W236-A238 VanDerWaalsContact C-N 3.34Å; W236-A238 PolarHBondContact O-N 3.44Å; W236-K239 PolarHBondContact O-N 2.93Å; W236-Y240 HydrophobicContact CH2-CD2 4.28Å; W236-Y240 HydrophobicContact CH2-CG 4.36Å; W236-Y240 HydrophobicContact CZ3-CD2 4.5Å; W236-Y240 HydrophobicContact CZ3-CG 4.12Å; W236-Y240 PolarHBondContact O-N 2.66Å
237	L	88.7	Confident	88	Confident	0 Å²	0	73 Å²	73	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-38	179.5	-165.2	67.1	0	0	0	111.8	L218 L221 E222 V225 L233 F234 Y240 K241 Y253	L218-L237 HydrophobicContact CD1-CD1 4.3Å; L221-L237 HydrophobicContact CD2-CD1 4.29Å; E222-L237 HydrophobicContact CG-CD1 4.39Å; E222-L237 HydrophobicContact CG-CD2 4.14Å; V225-L237 HydrophobicContact CB-CD2 4.46Å; V225-L237 HydrophobicContact CG1-CD2 4.4Å; V225-L237 HydrophobicContact CG2-CD2 4.48Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 PolarHBondContact O-N 3.32Å; F234-L237 PolarHBondContact O-N 3.46Å; L237-Y240 PolarHBondContact O-N 3.46Å; L237-K241 VanDerWaalsContact O-CG 3.27Å; L237-K241 WeakPolarHBondContact O-CG 3.45Å; L237-K241 PolarHBondContact O-N 3.18Å; L237-Y253 HydrophobicContact CD2-CD1 3.87Å; L237-Y253 HydrophobicContact CD2-CD2 4.07Å; L237-Y253 HydrophobicContact CD2-CE1 3.41Å; L237-Y253 VanDerWaalsContact CD2-CE1 3.41Å; L237-Y253 HydrophobicContact CD2-CE2 3.66Å; L237-Y253 HydrophobicContact CD2-CG 4.17Å; L237-Y253 HydrophobicContact CG-CD2 4.15Å; L237-Y253 HydrophobicContact CG-CE1 4.45Å; L237-Y253 HydrophobicContact CG-CE2 4.01Å; L237-Y253 HydrophobicContact CG-CG 4.44Å
238	A	89.3	Confident	87.9	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-44.2	173.4	0	0	0	0	0	112.1	F234 W236 K241 E242 Y254	F234-A238 VanDerWaalsContact O-CB 3.29Å; F234-A238 WeakPolarHBondContact O-CB 3.3Å; F234-A238 PolarHBondContact O-N 3.38Å; W236-A238 VanDerWaalsContact C-N 3.34Å; W236-A238 PolarHBondContact O-N 3.44Å; A238-K241 PolarHBondContact O-N 3.12Å; A238-E242 WeakPolarHBondContact O-CB 3.39Å; A238-E242 PolarHBondContact O-N 2.95Å; A238-Y254 HydrophobicContact CB-CD1 3.53Å; A238-Y254 HydrophobicContact CB-CD2 3.8Å; A238-Y254 HydrophobicContact CB-CE1 3.5Å; A238-Y254 HydrophobicContact CB-CE2 3.76Å; A238-Y254 HydrophobicContact CB-CG 3.69Å
239	K	89.9	Confident	88	Confident	127 Å²	127	66.6 Å²	66.6	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-63.7	-39.7	174.7	-74	176.4	178.4	-175.1	0	112.1	Q235 W236 E242 S243 Y254	Q235-K239 WeakPolarHBondContact O-CG 3.06Å; Q235-K239 PolarHBondContact O-N 2.99Å; W236-K239 PolarHBondContact O-N 2.93Å; K239-E242 PolarHBondContact O-N 2.8Å; K239-S243 WeakPolarHBondContact O-CB 3.27Å; K239-S243 PolarHBondContact O-N 3.29Å; K239-Y254 WeakPolarHBondContact CG-OH 3.36Å
240	Y	90.1	Very high	88.3	Confident	64 Å²	64	59.1 Å²	59.1	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-42.9	176.6	177.9	-102.5	0	0	0	111.9	L215 L218 W236 L237 S243 N244	L215-Y240 HydrophobicContact CD1-CD2 4.05Å; L215-Y240 HydrophobicContact CD1-CE2 3.47Å; L215-Y240 VanDerWaalsContact CD1-CE2 3.47Å; L218-Y240 HydrophobicContact CD1-CD1 4.18Å; L218-Y240 HydrophobicContact CD1-CE1 3.69Å; L218-Y240 HydrophobicContact CD2-CE1 4.23Å; W236-Y240 HydrophobicContact CH2-CD2 4.28Å; W236-Y240 HydrophobicContact CH2-CG 4.36Å; W236-Y240 HydrophobicContact CZ3-CD2 4.5Å; W236-Y240 HydrophobicContact CZ3-CG 4.12Å; W236-Y240 PolarHBondContact O-N 2.66Å; L237-Y240 PolarHBondContact O-N 3.46Å; Y240-S243 PolarHBondContact O-N 3.49Å; Y240-N244 WeakPolarHBondContact CE1-ND2 3.35Å; Y240-N244 WeakPolarHBondContact CE2-ND2 3.26Å; Y240-N244 PolarHBondContact O-N 3.5Å; Y240-N244 PolarHBondContact O-ND2 2.81Å; Y240-N244 VanDerWaalsContact O-ND2 3.11Å; Y240-N244 PolarHBondContact OH-ND2 3.38Å
241	K	89.9	Confident	88.4	Confident	29 Å²	29	57 Å²	57	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-41.6	174.9	-68.4	-75.6	-178	168.5	0	111.6	E222 L237 A238 S243 N244 D245 D246 A250 Y253	E222-K241 VanDerWaalsContact OE1-CE 3.24Å; E222-K241 WeakPolarHBondContact OE1-CE 3.3Å; E222-K241 IonicContact OE1-NZ 3.21Å; E222-K241 PolarHBondContact OE1-NZ 3.09Å; L237-K241 VanDerWaalsContact O-CG 3.27Å; L237-K241 WeakPolarHBondContact O-CG 3.45Å; L237-K241 PolarHBondContact O-N 3.18Å; A238-K241 PolarHBondContact O-N 3.12Å; K241-S243 VanDerWaalsContact C-N 3.32Å; K241-S243 PolarHBondContact O-N 3Å; K241-N244 CarbonylContact O-C 3.54Å; K241-N244 PolarHBondContact O-N 3.18Å; K241-N244 VanDerWaalsContact O-N 3.12Å; K241-D245 PolarHBondContact O-N 3.35Å; K241-D246 HydrophobicContact CB-CB 4.34Å; K241-D246 HydrophobicContact CD-CB 4.19Å; K241-D246 WeakPolarHBondContact CD-OD2 3.43Å; K241-D246 IonicContact NZ-OD2 2.7Å; K241-D246 PolarHBondContact O-N 3.22Å; K241-A250 HydrophobicContact CB-CB 4.14Å; K241-Y253 HydrophobicContact CG-CD2 4.16Å; K241-Y253 HydrophobicContact CG-CE2 4.24Å
242	E	89.1	Confident	88.5	Confident	38 Å²	38	55.5 Å²	55.5	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-40.9	173.7	-171.4	-177.7	172.9	0	0	111.9	A238 K239 N244 D245 M247 A250 Y254 R265 I266	A238-E242 WeakPolarHBondContact O-CB 3.39Å; A238-E242 PolarHBondContact O-N 2.95Å; K239-E242 PolarHBondContact O-N 2.8Å; E242-N244 PolarHBondContact O-N 3.05Å; E242-D245 PolarHBondContact O-N 3.45Å; E242-M247 HydrophobicContact CG-SD 4.36Å; E242-A250 HydrophobicContact CB-CB 4.16Å; E242-Y254 PolarHBondContact OE2-OH 3.4Å; E242-Y254 VanDerWaalsContact OE2-OH 3.08Å; E242-R265 IonicContact OE1-CZ 2.73Å; E242-R265 IonicContact OE1-NH1 2.86Å; E242-R265 PolarHBondContact OE1-NH1 3.22Å; E242-R265 IonicContact OE1-NH2 2.63Å; E242-R265 PolarHBondContact OE1-NH2 3.02Å; E242-R265 IonicContact OE2-CZ 2.6Å; E242-R265 IonicContact OE2-NH2 3.84Å; E242-R265 PolarHBondContact OE2-NH2 3.29Å; E242-I266 HydrophobicContact CG-CD1 4.18Å
243	S	88.9	Confident	88.8	Confident	96 Å²	96	49 Å²	49	67%	0.671	25%	0.254	S	S	*	.	H	α-helix	trans	-68.2	-20.1	176.6	-173.6	0	0	0	0	114	K239 Y240 K241	K239-S243 WeakPolarHBondContact O-CB 3.27Å; K239-S243 PolarHBondContact O-N 3.29Å; Y240-S243 PolarHBondContact O-N 3.49Å; K241-S243 VanDerWaalsContact C-N 3.32Å; K241-S243 PolarHBondContact O-N 3Å
244	N	88.5	Confident	88.9	Confident	88 Å²	88	49 Å²	49	47%	0.471	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	15.4	177	-72.1	-42.8	0	0	0	112.2	Y240 K241 E242 D246	Y240-N244 WeakPolarHBondContact CE1-ND2 3.35Å; Y240-N244 WeakPolarHBondContact CE2-ND2 3.26Å; Y240-N244 PolarHBondContact O-N 3.5Å; Y240-N244 PolarHBondContact O-ND2 2.81Å; Y240-N244 VanDerWaalsContact O-ND2 3.11Å; Y240-N244 PolarHBondContact OH-ND2 3.38Å; K241-N244 CarbonylContact O-C 3.54Å; K241-N244 PolarHBondContact O-N 3.18Å; K241-N244 VanDerWaalsContact O-N 3.12Å; E242-N244 PolarHBondContact O-N 3.05Å; N244-D246 PolarHBondContact O-N 2.83Å; N244-D246 VanDerWaalsContact O-N 3.12Å
245	D	85.6	Confident	88.8	Confident	138 Å²	138	51.3 Å²	51.3	74%	0.738	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	13	-176.3	-66.1	-35.6	0	0	0	115.5	K241 E242 M247	K241-D245 PolarHBondContact O-N 3.35Å; E242-D245 PolarHBondContact O-N 3.45Å; D245-M247 VanDerWaalsContact C-N 3.34Å; D245-M247 PolarHBondContact O-N 3.1Å
246	D	89.3	Confident	88.7	Confident	65 Å²	65	52.9 Å²	52.9	35%	0.348	27%	0.274	S	S	.	.			trans	-83.9	77.5	172.9	-176.3	6.7	0	0	0	110.6	K241 N244 G249 A250	K241-D246 HydrophobicContact CB-CB 4.34Å; K241-D246 HydrophobicContact CD-CB 4.19Å; K241-D246 WeakPolarHBondContact CD-OD2 3.43Å; K241-D246 IonicContact NZ-OD2 2.7Å; K241-D246 PolarHBondContact O-N 3.22Å; N244-D246 PolarHBondContact O-N 2.83Å; N244-D246 VanDerWaalsContact O-N 3.12Å; D246-G249 PolarHBondContact OD1-N 3.1Å; D246-A250 WeakPolarHBondContact O-CB 3.32Å; D246-A250 PolarHBondContact O-N 3.41Å
247	M	86.3	Confident	88.6	Confident	41 Å²	41	49.3 Å²	49.3	20%	0.202	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-36	-175.5	-67.6	-67.7	-155.8	0	0	113.5	E242 D245 A250 V251 I266 Q270	E242-M247 HydrophobicContact CG-SD 4.36Å; D245-M247 VanDerWaalsContact C-N 3.34Å; D245-M247 PolarHBondContact O-N 3.1Å; M247-A250 PolarHBondContact O-N 3.28Å; M247-V251 VanDerWaalsContact O-CG2 3.32Å; M247-V251 WeakPolarHBondContact O-CG2 3.24Å; M247-V251 PolarHBondContact O-N 2.86Å; M247-I266 HydrophobicContact CB-CG2 4.2Å; M247-I266 HydrophobicContact SD-CD1 4.32Å; M247-I266 HydrophobicContact SD-CG1 4.25Å; M247-I266 HydrophobicContact SD-CG2 3.8Å; M247-Q270 HydrophobicContact CB-CG 4.36Å
248	D	87	Confident	88.3	Confident	98 Å²	98	56.3 Å²	56.3	52%	0.524	29%	0.291	S	S	.	.	H	α-helix	trans	-71.6	-39.5	179.4	-70.2	-37.9	0	0	0	111	V251 S252 Q270 K272	D248-V251 PolarHBondContact O-N 3.36Å; D248-S252 PolarHBondContact O-N 3.35Å; D248-Q270 PolarHBondContact OD1-NE2 3.45Å; D248-K272 IonicContact OD1-NZ 3.77Å; D248-K272 PolarHBondContact OD1-NZ 2.9Å
249	G	87.7	Confident	87.9	Confident	12 Å²	12	57.6 Å²	57.6	12%	0.124	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-47.4	168.6	0	0	0	0	0	111.8	D246 V251 S252 Y253	D246-G249 PolarHBondContact OD1-N 3.1Å; G249-V251 VanDerWaalsContact C-N 3.34Å; G249-V251 PolarHBondContact O-N 2.86Å; G249-S252 PolarHBondContact O-N 3.24Å; G249-S252 PolarHBondContact O-OG 3.33Å; G249-Y253 VanDerWaalsContact O-CD2 3.22Å; G249-Y253 WeakPolarHBondContact O-CD2 3.38Å; G249-Y253 PolarHBondContact O-N 2.83Å; G249-Y253 VanDerWaalsContact O-N 3.16Å
250	A	90.4	Very high	87.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-41.4	177.8	0	0	0	0	0	112.8	K241 E242 D246 M247 S252 Y253 Y254 I266	K241-A250 HydrophobicContact CB-CB 4.14Å; E242-A250 HydrophobicContact CB-CB 4.16Å; D246-A250 WeakPolarHBondContact O-CB 3.32Å; D246-A250 PolarHBondContact O-N 3.41Å; M247-A250 PolarHBondContact O-N 3.28Å; A250-S252 PolarHBondContact O-N 3.24Å; A250-Y253 PolarHBondContact O-N 3.3Å; A250-Y254 HydrophobicContact CB-CD2 4.3Å; A250-Y254 HydrophobicContact CB-CE2 4.27Å; A250-Y254 WeakPolarHBondContact O-CB 3.49Å; A250-Y254 WeakPolarHBondContact O-CD2 3.45Å; A250-Y254 PolarHBondContact O-N 3.31Å; A250-I266 HydrophobicContact CB-CD1 3.91Å
251	V	87.8	Confident	86.2	Confident	17 Å²	17	52.6 Å²	52.6	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-46.8	175.8	163.2	0	0	0	0	111.4	M247 D248 G249 Y253 Y254 L255 L263 I266 L267	M247-V251 VanDerWaalsContact O-CG2 3.32Å; M247-V251 WeakPolarHBondContact O-CG2 3.24Å; M247-V251 PolarHBondContact O-N 2.86Å; D248-V251 PolarHBondContact O-N 3.36Å; G249-V251 VanDerWaalsContact C-N 3.34Å; G249-V251 PolarHBondContact O-N 2.86Å; V251-Y253 PolarHBondContact O-N 3.01Å; V251-Y254 PolarHBondContact O-N 3.33Å; V251-L255 HydrophobicContact CG1-CD1 3.99Å; V251-L255 WeakPolarHBondContact O-CB 3.31Å; V251-L255 VanDerWaalsContact O-CG 3.31Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.43Å; V251-L263 HydrophobicContact CB-CD1 4.22Å; V251-L263 HydrophobicContact CG1-CD1 3.77Å; V251-L263 HydrophobicContact CG2-CD1 4.21Å; V251-I266 HydrophobicContact CG2-CB 4.33Å; V251-I266 HydrophobicContact CG2-CG2 3.64Å; V251-L267 HydrophobicContact CG1-CD2 4.4Å; V251-L267 HydrophobicContact CG2-CD2 4.23Å
252	S	90	Very high	85.6	Confident	50 Å²	50	52 Å²	52	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-45.4	179.5	73.6	0	0	0	0	112.1	D248 G249 A250 L255 E256	D248-S252 PolarHBondContact O-N 3.35Å; G249-S252 PolarHBondContact O-N 3.24Å; G249-S252 PolarHBondContact O-OG 3.33Å; A250-S252 PolarHBondContact O-N 3.24Å; S252-L255 WeakPolarHBondContact O-CB 3.4Å; S252-L255 PolarHBondContact O-N 3.39Å; S252-E256 PolarHBondContact O-N 3.18Å; S252-E256 VanDerWaalsContact O-N 3.12Å
253	Y	91	Very high	85.2	Confident	11 Å²	11	50.2 Å²	50.2	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-74	-32	179.4	-69.4	-58.4	0	0	0	113	F234 L237 K241 G249 A250 V251 L255 E256 A257	F234-Y253 AromaticContact CD1-CD1 3.79Å; F234-Y253 HydrophobicContact CD1-CD1 3.79Å; F234-Y253 HydrophobicContact CD1-CE1 4.36Å; F234-Y253 HydrophobicContact CE1-CD1 4.24Å; F234-Y253 HydrophobicContact CE1-CE1 4.45Å; L237-Y253 HydrophobicContact CD2-CD1 3.87Å; L237-Y253 HydrophobicContact CD2-CD2 4.07Å; L237-Y253 HydrophobicContact CD2-CE1 3.41Å; L237-Y253 VanDerWaalsContact CD2-CE1 3.41Å; L237-Y253 HydrophobicContact CD2-CE2 3.66Å; L237-Y253 HydrophobicContact CD2-CG 4.17Å; L237-Y253 HydrophobicContact CG-CD2 4.15Å; L237-Y253 HydrophobicContact CG-CE1 4.45Å; L237-Y253 HydrophobicContact CG-CE2 4.01Å; L237-Y253 HydrophobicContact CG-CG 4.44Å; K241-Y253 HydrophobicContact CG-CD2 4.16Å; K241-Y253 HydrophobicContact CG-CE2 4.24Å; G249-Y253 VanDerWaalsContact O-CD2 3.22Å; G249-Y253 WeakPolarHBondContact O-CD2 3.38Å; G249-Y253 PolarHBondContact O-N 2.83Å; G249-Y253 VanDerWaalsContact O-N 3.16Å; A250-Y253 PolarHBondContact O-N 3.3Å; V251-Y253 PolarHBondContact O-N 3.01Å; Y253-L255 VanDerWaalsContact C-N 3.33Å; Y253-E256 PolarHBondContact O-N 2.93Å; Y253-A257 WeakPolarHBondContact O-CB 3.24Å; Y253-A257 PolarHBondContact O-N 3.04Å
254	Y	89.7	Confident	84.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-68.2	-33.2	173	-81.7	-49.5	0	0	0	113	A238 K239 E242 A250 V251 K258 N259 I266	A238-Y254 HydrophobicContact CB-CD1 3.53Å; A238-Y254 HydrophobicContact CB-CD2 3.8Å; A238-Y254 HydrophobicContact CB-CE1 3.5Å; A238-Y254 HydrophobicContact CB-CE2 3.76Å; A238-Y254 HydrophobicContact CB-CG 3.69Å; K239-Y254 WeakPolarHBondContact CG-OH 3.36Å; E242-Y254 PolarHBondContact OE2-OH 3.4Å; E242-Y254 VanDerWaalsContact OE2-OH 3.08Å; A250-Y254 HydrophobicContact CB-CD2 4.3Å; A250-Y254 HydrophobicContact CB-CE2 4.27Å; A250-Y254 WeakPolarHBondContact O-CB 3.49Å; A250-Y254 WeakPolarHBondContact O-CD2 3.45Å; A250-Y254 PolarHBondContact O-N 3.31Å; V251-Y254 PolarHBondContact O-N 3.33Å; Y254-K258 PolarHBondContact O-N 3.11Å; Y254-K258 VanDerWaalsContact O-N 3.14Å; Y254-N259 HydrophobicContact CD1-CB 3.93Å; Y254-N259 PolarHBondContact O-N 3.25Å; Y254-I266 HydrophobicContact CD2-CD1 3.68Å; Y254-I266 HydrophobicContact CE2-CD1 3.46Å; Y254-I266 VanDerWaalsContact CE2-CD1 3.46Å
255	L	87	Confident	83.8	Confident	63 Å²	63	45.4 Å²	45.4	33%	0.33	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-48.3	171	-77.2	165.2	0	0	0	111	V251 S252 Y253 A257 K258 L263 H279	V251-L255 HydrophobicContact CG1-CD1 3.99Å; V251-L255 WeakPolarHBondContact O-CB 3.31Å; V251-L255 VanDerWaalsContact O-CG 3.31Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.43Å; S252-L255 WeakPolarHBondContact O-CB 3.4Å; S252-L255 PolarHBondContact O-N 3.39Å; Y253-L255 VanDerWaalsContact C-N 3.33Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 2.89Å; L255-K258 PolarHBondContact O-N 2.68Å; L255-K258 VanDerWaalsContact O-N 3.13Å; L255-L263 HydrophobicContact CD2-CD1 4.3Å; L255-L263 HydrophobicContact CD2-CD2 3.43Å; L255-L263 VanDerWaalsContact CD2-CD2 3.43Å; L255-L263 HydrophobicContact CG-CD1 3.92Å; L255-L263 HydrophobicContact CG-CD2 3.95Å; L255-H279 VanDerWaalsContact CD2-CE1 3.45Å; L255-H279 WeakPolarHBondContact CD2-CE1 2.96Å
256	E	87.7	Confident	83.5	Confident	94 Å²	94	38.9 Å²	38.9	44%	0.439	20%	0.199	S	C	.	.	H	α-helix	trans	-64.4	-38.2	176.9	-69.6	-176.4	179.5	0	0	112.2	F234 S252 Y253 K258	F234-E256 HydrophobicContact CD1-CB 4.09Å; F234-E256 WeakPolarHBondContact CD1-OE2 3.27Å; F234-E256 HydrophobicContact CD2-CB 4.32Å; F234-E256 HydrophobicContact CE1-CB 4.22Å; F234-E256 WeakPolarHBondContact CE1-OE2 3.01Å; F234-E256 HydrophobicContact CE2-CB 4.43Å; F234-E256 HydrophobicContact CG-CB 4.14Å; F234-E256 HydrophobicContact CZ-CB 4.39Å; F234-E256 WeakPolarHBondContact CZ-OE2 3.29Å; S252-E256 PolarHBondContact O-N 3.18Å; S252-E256 VanDerWaalsContact O-N 3.12Å; Y253-E256 PolarHBondContact O-N 2.93Å; E256-K258 PolarHBondContact O-N 2.93Å
257	A	86.4	Confident	82.9	Confident	3 Å²	3	35.8 Å²	35.8	3%	0.025	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.8	174.3	0	0	0	0	0	114.8	F234 Q235 Y253 L255 N259	F234-A257 HydrophobicContact CB-CB 3.76Å; Q235-A257 HydrophobicContact CG-CB 3.56Å; Y253-A257 WeakPolarHBondContact O-CB 3.24Å; Y253-A257 PolarHBondContact O-N 3.04Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 2.89Å; A257-N259 HydrophobicContact CB-CB 4.33Å; A257-N259 PolarHBondContact O-N 3.37Å
258	K	83.4	Confident	82.1	Confident	147 Å²	147	34.7 Å²	34.7	64%	0.639	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	30.8	-171	-56.1	179.4	-179.5	177.6	0	113.3	Y254 L255 E256 F260	Y254-K258 PolarHBondContact O-N 3.11Å; Y254-K258 VanDerWaalsContact O-N 3.14Å; L255-K258 PolarHBondContact O-N 2.68Å; L255-K258 VanDerWaalsContact O-N 3.13Å; E256-K258 PolarHBondContact O-N 2.93Å; K258-F260 HydrophobicContact CB-CE2 4.12Å; K258-F260 HydrophobicContact CB-CZ 4.2Å; K258-F260 WeakPolarHBondContact O-CD2 3.17Å; K258-F260 PolarHBondContact O-N 3Å
259	N	80.3	Confident	81.6	Confident	27 Å²	27	36.6 Å²	36.6	14%	0.144	18%	0.184	C	C	.	.			trans	-97.1	85.1	178.3	-175.1	-22	0	0	0	109.8	Q235 Y254 A257 S261 S262 L263	Q235-N259 HydrophobicContact CG-CB 4.34Å; Y254-N259 HydrophobicContact CD1-CB 3.93Å; Y254-N259 PolarHBondContact O-N 3.25Å; A257-N259 HydrophobicContact CB-CB 4.33Å; A257-N259 PolarHBondContact O-N 3.37Å; N259-S261 PolarHBondContact OD1-OG 3.25Å; N259-S262 PolarHBondContact ND2-OG 3.41Å; N259-S262 PolarHBondContact OD1-N 3.3Å; N259-S262 PolarHBondContact OD1-OG 2.87Å; N259-L263 WeakPolarHBondContact O-CB 3.09Å; N259-L263 PolarHBondContact O-N 3.47Å; N259-L263 VanDerWaalsContact O-N 3.16Å
260	F	76.1	Confident	81.3	Confident	56 Å²	56	38.7 Å²	38.7	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-78.3	-24.9	-170.6	-56.3	-65.8	0	0	0	114.3	K258 S262 L263 L264 Q283	K258-F260 HydrophobicContact CB-CE2 4.12Å; K258-F260 HydrophobicContact CB-CZ 4.2Å; K258-F260 WeakPolarHBondContact O-CD2 3.17Å; K258-F260 PolarHBondContact O-N 3Å; F260-S262 VanDerWaalsContact C-N 3.35Å; F260-L263 HydrophobicContact CD1-CD2 3.96Å; F260-L263 PolarHBondContact O-N 3.24Å; F260-L264 WeakPolarHBondContact O-CB 3.32Å; F260-L264 WeakPolarHBondContact O-CG 3.22Å; F260-L264 PolarHBondContact O-N 2.83Å; F260-Q283 HydrophobicContact CD2-CG 3.95Å; F260-Q283 VanDerWaalsContact CE2-CD 3.41Å; F260-Q283 HydrophobicContact CE2-CG 3.85Å; F260-Q283 HydrophobicContact CG-CG 4.39Å; F260-Q283 HydrophobicContact CZ-CG 4.22Å; F260-Q283 VanDerWaalsContact CZ-NE2 3.34Å
261	S	67.4	Low	80.5	Confident	29 Å²	29	41 Å²	41	20%	0.203	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-42.9	175.5	53.3	0	0	0	0	111.3	N259 R265	N259-S261 PolarHBondContact OD1-OG 3.25Å; S261-R265 PolarHBondContact O-N 3.11Å
262	S	77.3	Confident	79.9	Confident	17 Å²	17	43.7 Å²	43.7	12%	0.119	23%	0.225	C	C	.	.	H	α-helix	trans	-73	-40	177.8	-49.6	0	0	0	0	111.4	N259 F260 L264 R265 I266	N259-S262 PolarHBondContact ND2-OG 3.41Å; N259-S262 PolarHBondContact OD1-N 3.3Å; N259-S262 PolarHBondContact OD1-OG 2.87Å; F260-S262 VanDerWaalsContact C-N 3.35Å; S262-L264 PolarHBondContact O-N 3.05Å; S262-R265 WeakPolarHBondContact O-CB 3.02Å; S262-R265 PolarHBondContact O-N 2.99Å; S262-I266 PolarHBondContact O-N 3.38Å; S262-I266 VanDerWaalsContact O-N 3.07Å
263	L	80.4	Confident	78.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.7	-50.6	173.5	178.6	68.8	0	0	0	112.3	V251 L255 N259 F260 R265 I266 L267	V251-L263 HydrophobicContact CB-CD1 4.22Å; V251-L263 HydrophobicContact CG1-CD1 3.77Å; V251-L263 HydrophobicContact CG2-CD1 4.21Å; L255-L263 HydrophobicContact CD2-CD1 4.3Å; L255-L263 HydrophobicContact CD2-CD2 3.43Å; L255-L263 VanDerWaalsContact CD2-CD2 3.43Å; L255-L263 HydrophobicContact CG-CD1 3.92Å; L255-L263 HydrophobicContact CG-CD2 3.95Å; N259-L263 WeakPolarHBondContact O-CB 3.09Å; N259-L263 PolarHBondContact O-N 3.47Å; N259-L263 VanDerWaalsContact O-N 3.16Å; F260-L263 HydrophobicContact CD1-CD2 3.96Å; F260-L263 PolarHBondContact O-N 3.24Å; L263-R265 PolarHBondContact O-N 3.38Å; L263-I266 PolarHBondContact O-N 3.4Å; L263-L267 HydrophobicContact CD1-CD1 4.02Å; L263-L267 HydrophobicContact CD1-CG 4.19Å; L263-L267 HydrophobicContact CD2-CD1 4.36Å; L263-L267 HydrophobicContact CG-CD1 3.82Å; L263-L267 HydrophobicContact CG-CG 4.34Å; L263-L267 WeakPolarHBondContact O-CG 3.37Å; L263-L267 PolarHBondContact O-N 3.33Å
264	L	72.5	Confident	77.5	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-35.4	-179.8	-71.1	170.8	0	0	0	111.4	F260 S262 C268 A276 V280	F260-L264 WeakPolarHBondContact O-CB 3.32Å; F260-L264 WeakPolarHBondContact O-CG 3.22Å; F260-L264 PolarHBondContact O-N 2.83Å; S262-L264 PolarHBondContact O-N 3.05Å; L264-C268 WeakPolarHBondContact O-CB 3.27Å; L264-C268 PolarHBondContact O-N 2.7Å; L264-C268 PolarHBondContact O-SG 3.46Å; L264-A276 HydrophobicContact CD2-CB 3.8Å; L264-A276 WeakPolarHBondContact CD2-O 3.34Å; L264-V280 HydrophobicContact CD1-CG2 3.69Å; L264-V280 HydrophobicContact CD2-CG2 3.62Å; L264-V280 HydrophobicContact CG-CG2 4.32Å
265	R	77.1	Confident	76.6	Confident	74 Å²	74	53 Å²	53	28%	0.279	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-47.6	174.3	-179.5	172.2	63.7	74.5	7.8	112.1	E242 S261 S262 L263 H269 L299	E242-R265 IonicContact OE1-CZ 2.73Å; E242-R265 IonicContact OE1-NH1 2.86Å; E242-R265 PolarHBondContact OE1-NH1 3.22Å; E242-R265 IonicContact OE1-NH2 2.63Å; E242-R265 PolarHBondContact OE1-NH2 3.02Å; E242-R265 IonicContact OE2-CZ 2.6Å; E242-R265 IonicContact OE2-NH2 3.84Å; E242-R265 PolarHBondContact OE2-NH2 3.29Å; S261-R265 PolarHBondContact O-N 3.11Å; S262-R265 WeakPolarHBondContact O-CB 3.02Å; S262-R265 PolarHBondContact O-N 2.99Å; L263-R265 PolarHBondContact O-N 3.38Å; R265-H269 WeakPolarHBondContact O-CB 3.5Å; R265-H269 PolarHBondContact O-N 3.49Å; R265-L299 HydrophobicContact CB-CD1 3.72Å; R265-L299 HydrophobicContact CG-CD1 3.79Å; R265-L299 HydrophobicContact CG-CD2 3.97Å; R265-L299 HydrophobicContact CG-CG 4.46Å
266	I	78.6	Confident	75.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-69.8	-44.9	179.6	-65.4	174.9	0	0	0	111.5	E242 M247 A250 V251 Y254 S262 L263 C268 H269 Q270	E242-I266 HydrophobicContact CG-CD1 4.18Å; M247-I266 HydrophobicContact CB-CG2 4.2Å; M247-I266 HydrophobicContact SD-CD1 4.32Å; M247-I266 HydrophobicContact SD-CG1 4.25Å; M247-I266 HydrophobicContact SD-CG2 3.8Å; A250-I266 HydrophobicContact CB-CD1 3.91Å; V251-I266 HydrophobicContact CG2-CB 4.33Å; V251-I266 HydrophobicContact CG2-CG2 3.64Å; Y254-I266 HydrophobicContact CD2-CD1 3.68Å; Y254-I266 HydrophobicContact CE2-CD1 3.46Å; Y254-I266 VanDerWaalsContact CE2-CD1 3.46Å; S262-I266 PolarHBondContact O-N 3.38Å; S262-I266 VanDerWaalsContact O-N 3.07Å; L263-I266 PolarHBondContact O-N 3.4Å; I266-C268 VanDerWaalsContact C-N 3.3Å; I266-C268 PolarHBondContact O-N 3.4Å; I266-H269 CarbonylContact O-C 3.56Å; I266-H269 WeakPolarHBondContact O-CA 3.42Å; I266-H269 WeakPolarHBondContact O-CB 3.34Å; I266-H269 PolarHBondContact O-N 2.9Å; I266-Q270 HydrophobicContact CG2-CG 4.22Å; I266-Q270 PolarHBondContact O-N 3.27Å
267	L	77.2	Confident	74.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-39	178.6	-70.6	174	0	0	0	112.2	V251 L263 G271 K272 E275 A276	V251-L267 HydrophobicContact CG1-CD2 4.4Å; V251-L267 HydrophobicContact CG2-CD2 4.23Å; L263-L267 HydrophobicContact CD1-CD1 4.02Å; L263-L267 HydrophobicContact CD1-CG 4.19Å; L263-L267 HydrophobicContact CD2-CD1 4.36Å; L263-L267 HydrophobicContact CG-CD1 3.82Å; L263-L267 HydrophobicContact CG-CG 4.34Å; L263-L267 WeakPolarHBondContact O-CG 3.37Å; L263-L267 PolarHBondContact O-N 3.33Å; L267-G271 PolarHBondContact O-N 3.48Å; L267-G271 VanDerWaalsContact O-N 3.13Å; L267-K272 HydrophobicContact CD2-CB 3.99Å; L267-K272 HydrophobicContact CD2-CD 4.22Å; L267-K272 PolarHBondContact O-N 2.9Å; L267-E275 HydrophobicContact CD1-CB 4.47Å; L267-E275 HydrophobicContact CD2-CB 4.49Å; L267-A276 HydrophobicContact CB-CB 3.94Å; L267-A276 HydrophobicContact CD1-CB 4.19Å
268	C	69.8	Low	73.5	Confident	17 Å²	17	52.7 Å²	52.7	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-39.7	172.8	-73.5	0	0	0	0	111.8	L264 I266 G271 V303	L264-C268 WeakPolarHBondContact O-CB 3.27Å; L264-C268 PolarHBondContact O-N 2.7Å; L264-C268 PolarHBondContact O-SG 3.46Å; I266-C268 VanDerWaalsContact C-N 3.3Å; I266-C268 PolarHBondContact O-N 3.4Å; C268-G271 PolarHBondContact O-N 3.25Å; C268-V303 HydrophobicContact CB-CG2 4.25Å
269	H	76.3	Confident	72.8	Confident	138 Å²	138	48.2 Å²	48.2	64%	0.639	24%	0.242	S	C	*	.	H	α-helix	trans	-67.3	-38.9	177	-169.4	79.2	0	0	0	112.6	R265 I266 G271	R265-H269 WeakPolarHBondContact O-CB 3.5Å; R265-H269 PolarHBondContact O-N 3.49Å; I266-H269 CarbonylContact O-C 3.56Å; I266-H269 WeakPolarHBondContact O-CA 3.42Å; I266-H269 WeakPolarHBondContact O-CB 3.34Å; I266-H269 PolarHBondContact O-N 2.9Å; H269-G271 VanDerWaalsContact C-N 3.25Å; H269-G271 PolarHBondContact O-N 2.95Å
270	Q	81.4	Confident	71.9	Confident	57 Å²	57	48.4 Å²	48.4	27%	0.266	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.2	174.5	-70.8	-170.6	-26.3	0	0	113.7	M247 D248 I266 K272	M247-Q270 HydrophobicContact CB-CG 4.36Å; D248-Q270 PolarHBondContact OD1-NE2 3.45Å; I266-Q270 HydrophobicContact CG2-CG 4.22Å; I266-Q270 PolarHBondContact O-N 3.27Å; Q270-K272 VanDerWaalsContact C-N 3.3Å; Q270-K272 HydrophobicContact CB-CG 4.3Å; Q270-K272 PolarHBondContact O-N 3.29Å; Q270-K272 VanDerWaalsContact OE1-CE 3.32Å
271	G	72.8	Confident	70.8	Confident	49 Å²	49	50.3 Å²	50.3	51%	0.505	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	8	-175.1	0	0	0	0	0	115.1	L267 C268 H269 I273	L267-G271 PolarHBondContact O-N 3.48Å; L267-G271 VanDerWaalsContact O-N 3.13Å; C268-G271 PolarHBondContact O-N 3.25Å; H269-G271 VanDerWaalsContact C-N 3.25Å; H269-G271 PolarHBondContact O-N 2.95Å; G271-I273 PolarHBondContact O-N 3.45Å
272	K	75.3	Confident	70.4	Confident	73 Å²	73	52.5 Å²	52.5	32%	0.317	27%	0.273	S	S	.	.			trans	-79.3	61.8	176	-65.9	-177.2	-170	157.6	0	111.5	D248 L267 Q270 E275 A276	D248-K272 IonicContact OD1-NZ 3.77Å; D248-K272 PolarHBondContact OD1-NZ 2.9Å; L267-K272 HydrophobicContact CD2-CB 3.99Å; L267-K272 HydrophobicContact CD2-CD 4.22Å; L267-K272 PolarHBondContact O-N 2.9Å; Q270-K272 VanDerWaalsContact C-N 3.3Å; Q270-K272 HydrophobicContact CB-CG 4.3Å; Q270-K272 PolarHBondContact O-N 3.29Å; Q270-K272 VanDerWaalsContact OE1-CE 3.32Å; K272-E275 WeakPolarHBondContact CD-OE2 3.49Å; K272-E275 PolarHBondContact O-N 3.43Å; K272-A276 PolarHBondContact O-N 3.45Å
273	I	64.3	Low	69.3	Low	21 Å²	21	53.4 Å²	53.4	11%	0.108	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-41.9	-171	-83.5	169.2	0	0	0	113	G271 E275 A276 C277 R305 I306	G271-I273 PolarHBondContact O-N 3.45Å; I273-E275 VanDerWaalsContact C-N 3.3Å; I273-E275 PolarHBondContact O-N 2.6Å; I273-A276 WeakPolarHBondContact O-CB 3.2Å; I273-A276 PolarHBondContact O-N 3.38Å; I273-C277 PolarHBondContact O-N 3.49Å; I273-C277 PolarHBondContact O-SG 3.35Å; I273-R305 HydrophobicContact CD1-CB 3.38Å; I273-I306 HydrophobicContact CB-CG1 3.93Å; I273-I306 HydrophobicContact CD1-CG1 3.83Å; I273-I306 HydrophobicContact CG1-CD1 4.19Å; I273-I306 HydrophobicContact CG1-CG1 3.53Å; I273-I306 HydrophobicContact CG2-CB 4.1Å; I273-I306 HydrophobicContact CG2-CG1 3.44Å; I273-I306 VanDerWaalsContact CG2-CG1 3.44Å
274	E	65.7	Low	67.7	Low	148 Å²	148	57.2 Å²	57.2	69%	0.692	30%	0.301	S	S	*	.	H	α-helix	trans	-65.2	-37.6	-177.6	-63.1	-173.9	174.9	0	0	111.8	C277 K278	E274-C277 PolarHBondContact O-N 3.02Å; E274-K278 WeakPolarHBondContact O-CG 3.42Å; E274-K278 PolarHBondContact O-N 3.11Å
275	E	72.3	Confident	66.1	Low	90 Å²	90	62.9 Å²	62.9	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-66.4	-45.2	174.7	-65.5	-179	177.3	0	0	111.1	L267 K272 I273 C277 K278 H279	L267-E275 HydrophobicContact CD1-CB 4.47Å; L267-E275 HydrophobicContact CD2-CB 4.49Å; K272-E275 WeakPolarHBondContact CD-OE2 3.49Å; K272-E275 PolarHBondContact O-N 3.43Å; I273-E275 VanDerWaalsContact C-N 3.3Å; I273-E275 PolarHBondContact O-N 2.6Å; E275-C277 PolarHBondContact O-N 3.45Å; E275-K278 PolarHBondContact O-N 3.32Å; E275-K278 VanDerWaalsContact O-N 3.17Å; E275-H279 PolarHBondContact O-CD2 2.86Å; E275-H279 PolarHBondContact O-N 2.73Å
276	A	66.1	Low	64	Low	3 Å²	3	64.8 Å²	64.8	3%	0.025	35%	0.351	C	S	.	.	H	α-helix	trans	-55	-44	174.3	0	0	0	0	0	111.2	L264 L267 K272 I273 H279 V280	L264-A276 HydrophobicContact CD2-CB 3.8Å; L264-A276 WeakPolarHBondContact CD2-O 3.34Å; L267-A276 HydrophobicContact CB-CB 3.94Å; L267-A276 HydrophobicContact CD1-CB 4.19Å; K272-A276 PolarHBondContact O-N 3.45Å; I273-A276 WeakPolarHBondContact O-CB 3.2Å; I273-A276 PolarHBondContact O-N 3.38Å; A276-H279 PolarHBondContact O-N 3.41Å; A276-V280 WeakPolarHBondContact O-CG2 3.15Å; A276-V280 PolarHBondContact O-N 3.11Å
277	C	60.5	Low	61.9	Low	17 Å²	17	70.5 Å²	70.5	12%	0.115	39%	0.388	C	S	.	.	H	α-helix	trans	-67	-39	179.3	-62.2	0	0	0	0	113.3	I273 E274 E275 H279 V280 Q281 A308	I273-C277 PolarHBondContact O-N 3.49Å; I273-C277 PolarHBondContact O-SG 3.35Å; E274-C277 PolarHBondContact O-N 3.02Å; E275-C277 PolarHBondContact O-N 3.45Å; C277-H279 VanDerWaalsContact C-N 3.32Å; C277-H279 PolarHBondContact O-N 2.91Å; C277-V280 PolarHBondContact O-N 2.84Å; C277-Q281 WeakPolarHBondContact O-CB 3.21Å; C277-Q281 VanDerWaalsContact O-CG 3.28Å; C277-Q281 WeakPolarHBondContact O-CG 3.42Å; C277-Q281 PolarHBondContact O-N 2.69Å; C277-A308 HydrophobicContact CB-CB 3.63Å; C277-A308 WeakPolarHBondContact SG-CB 3.45Å
278	K	69.2	Low	59.7	Low	133 Å²	133	81.1 Å²	81.1	58%	0.578	43%	0.428	S	S	*	.	H	α-helix	trans	-61	-41.8	173.4	-72.4	171.9	-176	173.8	0	111.3	E274 E275 Q281 A282	E274-K278 WeakPolarHBondContact O-CG 3.42Å; E274-K278 PolarHBondContact O-N 3.11Å; E275-K278 PolarHBondContact O-N 3.32Å; E275-K278 VanDerWaalsContact O-N 3.17Å; K278-Q281 PolarHBondContact O-N 3.22Å; K278-A282 WeakPolarHBondContact O-CB 3.46Å; K278-A282 PolarHBondContact O-N 3.39Å
279	H	67.9	Low	58.3	Low	53 Å²	53	86.7 Å²	86.7	25%	0.245	45%	0.451	C	S	.	.	H	α-helix	trans	-67.2	-40.1	177.4	-71.6	-59.6	0	0	0	113	L255 E275 A276 C277 A282 Q283	L255-H279 VanDerWaalsContact CD2-CE1 3.45Å; L255-H279 WeakPolarHBondContact CD2-CE1 2.96Å; E275-H279 PolarHBondContact O-CD2 2.86Å; E275-H279 PolarHBondContact O-N 2.73Å; A276-H279 PolarHBondContact O-N 3.41Å; C277-H279 VanDerWaalsContact C-N 3.32Å; C277-H279 PolarHBondContact O-N 2.91Å; H279-A282 PolarHBondContact O-N 3.5Å; H279-Q283 PolarHBondContact O-N 3.22Å; H279-Q283 PolarHBondContact O-NE2 2.94Å
280	V	62.1	Low	56.6	Low	30 Å²	30	83.5 Å²	83.5	18%	0.182	45%	0.448	C	S	.	.	H	α-helix	trans	-60.8	-48.4	172.9	173.3	0	0	0	0	110.4	L264 A276 C277 A282 Q283 C284 V311	L264-V280 HydrophobicContact CD1-CG2 3.69Å; L264-V280 HydrophobicContact CD2-CG2 3.62Å; L264-V280 HydrophobicContact CG-CG2 4.32Å; A276-V280 WeakPolarHBondContact O-CG2 3.15Å; A276-V280 PolarHBondContact O-N 3.11Å; C277-V280 PolarHBondContact O-N 2.84Å; V280-A282 VanDerWaalsContact C-N 3.33Å; V280-A282 PolarHBondContact O-N 2.76Å; V280-Q283 PolarHBondContact O-N 3.32Å; V280-Q283 VanDerWaalsContact O-N 3.11Å; V280-C284 PolarHBondContact O-N 2.93Å; V280-C284 PolarHBondContact O-SG 3.43Å; V280-V311 HydrophobicContact CG1-CG2 3.97Å
281	Q	52.3	Low	54.5	Low	96 Å²	96	83.9 Å²	83.9	45%	0.449	46%	0.461	S	S	.	.	H	α-helix	trans	-57.8	-44.1	179	-76.1	174	-8.1	0	0	112.3	C277 K278 Q283	C277-Q281 WeakPolarHBondContact O-CB 3.21Å; C277-Q281 VanDerWaalsContact O-CG 3.28Å; C277-Q281 WeakPolarHBondContact O-CG 3.42Å; C277-Q281 PolarHBondContact O-N 2.69Å; K278-Q281 PolarHBondContact O-N 3.22Å; Q281-Q283 VanDerWaalsContact C-N 3.26Å; Q281-Q283 PolarHBondContact O-N 2.99Å
282	A	58.6	Low	53	Low	75 Å²	75	83.4 Å²	83.4	62%	0.62	45%	0.449	S	S	*	.	H	α-helix	trans	-65	-28.6	179.2	0	0	0	0	0	113.2	K278 H279 V280	K278-A282 WeakPolarHBondContact O-CB 3.46Å; K278-A282 PolarHBondContact O-N 3.39Å; H279-A282 PolarHBondContact O-N 3.5Å; V280-A282 VanDerWaalsContact C-N 3.33Å; V280-A282 PolarHBondContact O-N 2.76Å
283	Q	54.7	Low	51.4	Low	36 Å²	36	83.7 Å²	83.7	17%	0.168	45%	0.451	C	S	.	.	H	α-helix	trans	-93.8	-20.3	-179.1	-84.8	158	55	0	0	115.3	F260 H279 V280 Q281 V285 L286	F260-Q283 HydrophobicContact CD2-CG 3.95Å; F260-Q283 VanDerWaalsContact CE2-CD 3.41Å; F260-Q283 HydrophobicContact CE2-CG 3.85Å; F260-Q283 HydrophobicContact CG-CG 4.39Å; F260-Q283 HydrophobicContact CZ-CG 4.22Å; F260-Q283 VanDerWaalsContact CZ-NE2 3.34Å; H279-Q283 PolarHBondContact O-N 3.22Å; H279-Q283 PolarHBondContact O-NE2 2.94Å; V280-Q283 PolarHBondContact O-N 3.32Å; V280-Q283 VanDerWaalsContact O-N 3.11Å; Q281-Q283 VanDerWaalsContact C-N 3.26Å; Q281-Q283 PolarHBondContact O-N 2.99Å; Q283-V285 PolarHBondContact O-N 3.28Å; Q283-L286 PolarHBondContact O-N 3.41Å
284	C	46.4	Very low	50.3	Low	81 Å²	81	89 Å²	89	55%	0.547	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-6.7	-179.8	-77	0	0	0	0	114.2	V280 L286	V280-C284 PolarHBondContact O-N 2.93Å; V280-C284 PolarHBondContact O-SG 3.43Å; C284-L286 VanDerWaalsContact C-N 3.32Å
285	V	39.5	Very low	49	Very low	128 Å²	128	85.5 Å²	85.5	78%	0.776	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.4	169.8	-173.2	0	0	0	0	112.2	Q283	Q283-V285 PolarHBondContact O-N 3.28Å
286	L	33.7	Very low	47.8	Very low	114 Å²	114	83.9 Å²	83.9	60%	0.597	46%	0.455	S	S	*	.	S	Bend	trans	-103.3	141.1	-177	-65.5	174	0	0	0	112.4	Q283 C284 R288	Q283-L286 PolarHBondContact O-N 3.41Å; C284-L286 VanDerWaalsContact C-N 3.32Å; L286-R288 PolarHBondContact O-N 2.85Å
287	P	32.9	Very low	46.8	Very low	122 Å²	122	87.3 Å²	87.3	79%	0.792	48%	0.476	S	S	*	.	S	Bend	trans	-71.2	11.2	-170.8	27.4	-34.5	0	0	0	115.6	K289	P287-K289 VanDerWaalsContact C-N 3.29Å; P287-K289 PolarHBondContact O-N 3.25Å
288	R	32.3	Very low	46	Very low	222 Å²	222	92.4 Å²	92.4	84%	0.838	50%	0.502	S	S	*	.			trans	-90.1	62.8	-173.9	-144.1	173.9	-167	173.4	3.1	111.3	L286	L286-R288 PolarHBondContact O-N 2.85Å
289	K	40.8	Very low	44.7	Very low	134 Å²	134	87.9 Å²	87.9	58%	0.583	48%	0.484	S	S	*	.			trans	-77.6	-39.7	-166.8	-77.6	-178.2	176.3	-179.8	0	115.2	P287 A291 T292 E293	P287-K289 VanDerWaalsContact C-N 3.29Å; P287-K289 PolarHBondContact O-N 3.25Å; K289-A291 PolarHBondContact O-N 3Å; K289-T292 PolarHBondContact O-OG1 3.4Å; K289-E293 WeakPolarHBondContact CB-OE1 3.48Å; K289-E293 WeakPolarHBondContact O-CG 3.4Å
290	A	40.2	Very low	43.6	Very low	72 Å²	72	89 Å²	89	60%	0.595	49%	0.489	S	S	*	.	H	α-helix	trans	-73.5	-28.4	-165.2	0	0	0	0	0	117.1
291	A	37.4	Very low	42.7	Very low	65 Å²	65	93.9 Å²	93.9	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-86.8	-28.7	-170.3	0	0	0	0	0	114	K289	K289-A291 PolarHBondContact O-N 3Å
292	T	40.9	Very low	42	Very low	39 Å²	39	92.8 Å²	92.8	24%	0.239	52%	0.522	C	S	.	.	H	α-helix	trans	-79.1	-30.6	174.1	48.5	0	0	0	0	111	K289 H295 V296	K289-T292 PolarHBondContact O-OG1 3.4Å; T292-H295 PolarHBondContact O-N 2.92Å; T292-V296 WeakPolarHBondContact O-CG2 3.43Å; T292-V296 PolarHBondContact O-N 2.89Å
293	E	42.2	Very low	41.2	Very low	78 Å²	78	90.5 Å²	90.5	36%	0.364	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-41	-178.6	-77.4	167.5	-176.5	0	0	113.4	K289 H295 T297	K289-E293 WeakPolarHBondContact CB-OE1 3.48Å; K289-E293 WeakPolarHBondContact O-CG 3.4Å; E293-H295 PolarHBondContact O-N 3.23Å; E293-T297 PolarHBondContact O-N 3.38Å; E293-T297 PolarHBondContact O-OG1 3.1Å; E293-T297 VanDerWaalsContact O-OG1 3.04Å
294	Q	40.4	Very low	40.5	Very low	133 Å²	133	97 Å²	97	62%	0.621	53%	0.528	S	S	*	.	H	α-helix	trans	-69.1	-31.2	-179.2	-73.4	-171.2	-19.7	0	0	113.9	T297 N298	Q294-T297 WeakPolarHBondContact CA-OG1 3.2Å; Q294-T297 PolarHBondContact O-OG1 3.47Å; Q294-N298 VanDerWaalsContact O-CG 3.31Å; Q294-N298 PolarHBondContact O-N 2.97Å
295	H	38.9	Very low	40.1	Very low	74 Å²	74	102.7 Å²	102.7	34%	0.343	54%	0.538	S	S	.	.	H	α-helix	trans	-81.4	-34.5	-179.9	-78.5	13.8	0	0	0	112	T292 E293 T297 N298 L299	T292-H295 PolarHBondContact O-N 2.92Å; E293-H295 PolarHBondContact O-N 3.23Å; H295-T297 VanDerWaalsContact C-N 3.28Å; H295-T297 PolarHBondContact O-N 2.92Å; H295-N298 PolarHBondContact O-N 3.06Å; H295-L299 HydrophobicContact CB-CD1 4.46Å; H295-L299 WeakPolarHBondContact O-CB 3.37Å; H295-L299 WeakPolarHBondContact O-CD1 3.45Å; H295-L299 WeakPolarHBondContact O-CG 3.49Å; H295-L299 PolarHBondContact O-N 3.23Å
296	V	47.8	Very low	40.2	Very low	57 Å²	57	99.8 Å²	99.8	35%	0.345	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-35.9	173.8	176.4	0	0	0	0	111.1	T292 Q300	T292-V296 WeakPolarHBondContact O-CG2 3.43Å; T292-V296 PolarHBondContact O-N 2.89Å; V296-Q300 VanDerWaalsContact O-CG 3.28Å; V296-Q300 WeakPolarHBondContact O-CG 3.23Å
297	T	44.9	Very low	40.4	Very low	74 Å²	74	103.1 Å²	103.1	45%	0.454	53%	0.527	S	S	.	.	H	α-helix	trans	-71.4	-32.8	174.6	41.7	0	0	0	0	113.9	E293 Q294 H295 Q300	E293-T297 PolarHBondContact O-N 3.38Å; E293-T297 PolarHBondContact O-OG1 3.1Å; E293-T297 VanDerWaalsContact O-OG1 3.04Å; Q294-T297 WeakPolarHBondContact CA-OG1 3.2Å; Q294-T297 PolarHBondContact O-OG1 3.47Å; H295-T297 VanDerWaalsContact C-N 3.28Å; H295-T297 PolarHBondContact O-N 2.92Å; T297-Q300 PolarHBondContact O-OE1 3.23Å
298	N	43.4	Very low	40.7	Very low	125 Å²	125	98.6 Å²	98.6	67%	0.668	50%	0.5	S	S	*	.	H	α-helix	trans	-85	-20.1	-177.4	-70.3	-4.7	0	0	0	113.6	Q294 H295	Q294-N298 VanDerWaalsContact O-CG 3.31Å; Q294-N298 PolarHBondContact O-N 2.97Å; H295-N298 PolarHBondContact O-N 3.06Å
299	L	41.9	Very low	41	Very low	37 Å²	37	89.7 Å²	89.7	19%	0.194	47%	0.471	C	S	.	.	S	Bend	trans	-91.6	1	179.2	-72.5	159.7	0	0	0	114.1	R265 H295 T301 S302 V303	R265-L299 HydrophobicContact CB-CD1 3.72Å; R265-L299 HydrophobicContact CG-CD1 3.79Å; R265-L299 HydrophobicContact CG-CD2 3.97Å; R265-L299 HydrophobicContact CG-CG 4.46Å; H295-L299 HydrophobicContact CB-CD1 4.46Å; H295-L299 WeakPolarHBondContact O-CB 3.37Å; H295-L299 WeakPolarHBondContact O-CD1 3.45Å; H295-L299 WeakPolarHBondContact O-CG 3.49Å; H295-L299 PolarHBondContact O-N 3.23Å; L299-T301 PolarHBondContact O-N 3.32Å; L299-T301 VanDerWaalsContact O-N 3.09Å; L299-S302 PolarHBondContact O-N 3.01Å; L299-S302 PolarHBondContact O-OG 2.69Å; L299-V303 VanDerWaalsContact O-CG2 3.27Å; L299-V303 WeakPolarHBondContact O-CG2 3.28Å
300	Q	44	Very low	41	Very low	77 Å²	77	91 Å²	91	36%	0.36	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.4	-171.4	-94.3	162.5	-12.6	0	0	115.5	V296 T297	V296-Q300 VanDerWaalsContact O-CG 3.28Å; V296-Q300 WeakPolarHBondContact O-CG 3.23Å; T297-Q300 PolarHBondContact O-OE1 3.23Å
301	T	43.1	Very low	41.1	Very low	132 Å²	132	91.6 Å²	91.6	81%	0.81	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-26	176.8	39.4	0	0	0	0	113.8	L299	L299-T301 PolarHBondContact O-N 3.32Å; L299-T301 VanDerWaalsContact O-N 3.09Å
302	S	39.1	Very low	41.3	Very low	73 Å²	73	90.3 Å²	90.3	51%	0.51	45%	0.452	S	S	.	.	S	Bend	trans	-97.4	-1.7	177.4	47.1	0	0	0	0	113.8	L299 K304	L299-S302 PolarHBondContact O-N 3.01Å; L299-S302 PolarHBondContact O-OG 2.69Å; S302-K304 PolarHBondContact O-N 3.08Å
303	V	41.6	Very low	41.3	Very low	28 Å²	28	93.8 Å²	93.8	17%	0.17	47%	0.473	C	S	.	.			trans	-107.8	55.7	-165.5	-175.6	0	0	0	0	111.1	C268 L299 R305 I306	C268-V303 HydrophobicContact CB-CG2 4.25Å; L299-V303 VanDerWaalsContact O-CG2 3.27Å; L299-V303 WeakPolarHBondContact O-CG2 3.28Å; V303-R305 PolarHBondContact O-N 3.45Å; V303-I306 HydrophobicContact CB-CD1 4.41Å; V303-I306 HydrophobicContact CG1-CB 3.6Å; V303-I306 HydrophobicContact CG1-CD1 3.08Å; V303-I306 HydrophobicContact CG1-CG1 3.19Å; V303-I306 HydrophobicContact CG2-CD1 4.42Å
304	K	40	Very low	41.5	Very low	172 Å²	172	93 Å²	93	75%	0.748	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	5.6	172.2	-71	-176.5	175.1	-178.5	0	113.8	S302	S302-K304 PolarHBondContact O-N 3.08Å
305	R	37.9	Very low	41.8	Very low	201 Å²	201	90 Å²	90	76%	0.758	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-1.4	-169.3	-72.8	-178.2	-171.4	-179.3	3.4	115.7	I273 V303 K307	I273-R305 HydrophobicContact CD1-CB 3.38Å; V303-R305 PolarHBondContact O-N 3.45Å; R305-K307 PolarHBondContact O-N 3.47Å
306	I	41.2	Very low	42.1	Very low	66 Å²	66	86.8 Å²	86.8	34%	0.338	45%	0.447	S	S	.	.			trans	-74.7	99.7	178.5	-71	178.4	0	0	0	110.9	I273 V303 A308	I273-I306 HydrophobicContact CB-CG1 3.93Å; I273-I306 HydrophobicContact CD1-CG1 3.83Å; I273-I306 HydrophobicContact CG1-CD1 4.19Å; I273-I306 HydrophobicContact CG1-CG1 3.53Å; I273-I306 HydrophobicContact CG2-CB 4.1Å; I273-I306 HydrophobicContact CG2-CG1 3.44Å; I273-I306 VanDerWaalsContact CG2-CG1 3.44Å; V303-I306 HydrophobicContact CB-CD1 4.41Å; V303-I306 HydrophobicContact CG1-CB 3.6Å; V303-I306 HydrophobicContact CG1-CD1 3.08Å; V303-I306 HydrophobicContact CG1-CG1 3.19Å; V303-I306 HydrophobicContact CG2-CD1 4.42Å; I306-A308 VanDerWaalsContact C-N 3.33Å; I306-A308 HydrophobicContact CG2-CB 3.86Å; I306-A308 PolarHBondContact O-N 3.42Å
307	K	37.5	Very low	41.7	Very low	184 Å²	184	87.2 Å²	87.2	80%	0.8	45%	0.453	S	S	*	.			trans	-90.3	40.8	174.7	-65.2	178	177.7	176.8	0	112.5	R305	R305-K307 PolarHBondContact O-N 3.47Å
308	A	39.8	Very low	41.6	Very low	27 Å²	27	90.9 Å²	90.9	22%	0.223	46%	0.462	C	S	.	.			trans	-107.7	117.6	-173.8	0	0	0	0	0	114.2	C277 I306 Y310	C277-A308 HydrophobicContact CB-CB 3.63Å; C277-A308 WeakPolarHBondContact SG-CB 3.45Å; I306-A308 VanDerWaalsContact C-N 3.33Å; I306-A308 HydrophobicContact CG2-CB 3.86Å; I306-A308 PolarHBondContact O-N 3.42Å; A308-Y310 PolarHBondContact O-N 2.85Å
309	P	38.3	Very low	41.6	Very low	35 Å²	35	86.4 Å²	86.4	23%	0.227	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	11.1	-167.2	-14.5	29.4	0	0	0	119
310	Y	40.2	Very low	41.6	Very low	162 Å²	162	89.4 Å²	89.4	64%	0.635	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	2.9	-159	-75.9	-86.7	0	0	0	117.6	A308 F312	A308-Y310 PolarHBondContact O-N 2.85Å; Y310-F312 VanDerWaalsContact C-N 3.26Å; Y310-F312 PolarHBondContact O-N 2.97Å
311	V	42.9	Very low	41.3	Very low	85 Å²	85	96.2 Å²	96.2	52%	0.515	47%	0.474	S	S	.	.	S	Bend	trans	-90.1	11.2	174	-170.1	0	0	0	0	112	V280	V280-V311 HydrophobicContact CG1-CG2 3.97Å
312	F	40.8	Very low	41.2	Very low	37 Å²	37	92.4 Å²	92.4	16%	0.162	45%	0.451	C	S	.	.			trans	-86.8	-8.4	-162.9	-105.3	-113.8	0	0	0	116.8	Y310 S314 V316 F323 I332 L335	Y310-F312 VanDerWaalsContact C-N 3.26Å; Y310-F312 PolarHBondContact O-N 2.97Å; F312-S314 VanDerWaalsContact C-N 3.27Å; F312-S314 PolarHBondContact O-N 2.99Å; F312-S314 VanDerWaalsContact O-N 3.16Å; F312-V316 HydrophobicContact CD1-CG2 4.43Å; F312-F323 HydrophobicContact CD1-CZ 4.21Å; F312-F323 AromaticContact CE1-CE1 3.28Å; F312-F323 HydrophobicContact CE1-CE1 3.28Å; F312-F323 HydrophobicContact CE1-CE2 4.42Å; F312-F323 AromaticContact CE1-CZ 3.11Å; F312-F323 HydrophobicContact CE1-CZ 3.11Å; F312-F323 HydrophobicContact CE2-CE1 4.35Å; F312-F323 HydrophobicContact CE2-CZ 4.31Å; F312-F323 HydrophobicContact CZ-CD1 4.29Å; F312-F323 AromaticContact CZ-CE1 3.09Å; F312-F323 HydrophobicContact CZ-CE1 3.09Å; F312-F323 HydrophobicContact CZ-CE2 4.45Å; F312-F323 AromaticContact CZ-CZ 3.17Å; F312-F323 HydrophobicContact CZ-CZ 3.17Å; F312-I332 HydrophobicContact CE1-CG1 4.24Å; F312-L335 HydrophobicContact CB-CD1 4.46Å; F312-L335 HydrophobicContact CD1-CD1 4.1Å; F312-L335 HydrophobicContact CE1-CD1 4.47Å; F312-L335 HydrophobicContact CG-CD1 4.23Å
313	T	42.1	Very low	41.3	Very low	112 Å²	112	89.3 Å²	89.3	69%	0.687	43%	0.428	S	S	*	.	S	Bend	trans	-80.5	1.7	-160.2	50.8	0	0	0	0	115.2
314	S	45.7	Very low	41.4	Very low	62 Å²	62	96.3 Å²	96.3	43%	0.434	46%	0.456	S	S	.	.	S	Bend	trans	-139.9	-3.3	178.2	56.4	0	0	0	0	117.2	F312	F312-S314 VanDerWaalsContact C-N 3.27Å; F312-S314 PolarHBondContact O-N 2.99Å; F312-S314 VanDerWaalsContact O-N 3.16Å
315	F	46.8	Very low	41.5	Very low	71 Å²	71	95 Å²	95	31%	0.311	45%	0.453	S	S	.	.			trans	-145.5	46.5	-166.2	-71.3	-60.5	0	0	0	116.4	S317 K318 L319	F315-S317 VanDerWaalsContact C-N 3.26Å; F315-S317 PolarHBondContact O-N 3.03Å; F315-K318 HydrophobicContact CB-CB 4.28Å; F315-K318 HydrophobicContact CD1-CB 4.39Å; F315-K318 HydrophobicContact CD1-CD 3.37Å; F315-K318 VanDerWaalsContact CD1-CE 3.5Å; F315-K318 HydrophobicContact CD1-CG 3.82Å; F315-K318 HydrophobicContact CE1-CD 3.71Å; F315-K318 HydrophobicContact CG-CD 4.13Å; F315-K318 PolarHBondContact O-N 3.24Å; F315-L319 WeakPolarHBondContact O-CG 3.4Å
316	V	44.5	Very low	41.9	Very low	5 Å²	5	88.9 Å²	88.9	3%	0.03	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.7	171.7	177.1	0	0	0	0	111.7	F312 K318 V343 D346 A347	F312-V316 HydrophobicContact CD1-CG2 4.43Å; V316-K318 PolarHBondContact O-N 3.48Å; V316-V343 HydrophobicContact CB-CG1 4.38Å; V316-V343 HydrophobicContact CG2-CG1 3.57Å; V316-D346 HydrophobicContact CB-CB 3.97Å; V316-D346 HydrophobicContact CG1-CB 4.1Å; V316-A347 HydrophobicContact CG1-CB 4.09Å
317	S	39.1	Very low	42.4	Very low	67 Å²	67	93.9 Å²	93.9	47%	0.469	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.3	177.1	38.4	0	0	0	0	115	F315 D346	F315-S317 VanDerWaalsContact C-N 3.26Å; F315-S317 PolarHBondContact O-N 3.03Å; S317-D346 WeakPolarHBondContact CB-OD2 3.43Å; S317-D346 PolarHBondContact OG-OD2 3.33Å
318	K	43.6	Very low	43.5	Very low	151 Å²	151	87.4 Å²	87.4	66%	0.657	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.9	-178.1	-64.1	-172.2	-175.2	172.3	0	113.9	F315 V316	F315-K318 HydrophobicContact CB-CB 4.28Å; F315-K318 HydrophobicContact CD1-CB 4.39Å; F315-K318 HydrophobicContact CD1-CD 3.37Å; F315-K318 VanDerWaalsContact CD1-CE 3.5Å; F315-K318 HydrophobicContact CD1-CG 3.82Å; F315-K318 HydrophobicContact CE1-CD 3.71Å; F315-K318 HydrophobicContact CG-CD 4.13Å; F315-K318 PolarHBondContact O-N 3.24Å; V316-K318 PolarHBondContact O-N 3.48Å
319	L	44	Very low	44.6	Very low	30 Å²	30	86.7 Å²	86.7	16%	0.157	43%	0.426	C	S	.	.			trans	-110.3	20.4	-170.1	-69.3	172.6	0	0	0	113.5	F315 R321 P322 F323	F315-L319 WeakPolarHBondContact O-CG 3.4Å; L319-R321 PolarHBondContact O-N 3.33Å; L319-P322 HydrophobicContact CB-CG 4.03Å; L319-P322 HydrophobicContact CD2-CG 3.77Å; L319-P322 HydrophobicContact CG-CG 4.5Å; L319-P322 WeakPolarHBondContact O-CD 2.89Å; L319-P322 WeakPolarHBondContact O-CG 3.26Å; L319-F323 HydrophobicContact CB-CD2 3.88Å; L319-F323 HydrophobicContact CB-CE2 3.42Å; L319-F323 VanDerWaalsContact CB-CE2 3.42Å; L319-F323 HydrophobicContact CB-CZ 4.25Å; L319-F323 WeakPolarHBondContact O-CD2 3.46Å; L319-F323 PolarHBondContact O-N 3.42Å
320	E	40.5	Very low	45.8	Very low	101 Å²	101	90.6 Å²	90.6	47%	0.472	45%	0.445	S	S	.	.	H	α-helix	trans	-49.9	-36.3	178.7	-86.4	-167.5	153.3	0	0	113.8	K353	E320-K353 IonicContact OE1-NZ 2.7Å; E320-K353 PolarHBondContact OE1-NZ 2.78Å
321	R	39.1	Very low	47	Very low	220 Å²	220	90 Å²	90	83%	0.83	44%	0.442	S	S	*	.	H	α-helix	trans	-68.5	-58	-178.7	-113	179.5	177	167	-0.4	113.8	L319 F323 K324	L319-R321 PolarHBondContact O-N 3.33Å; R321-F323 VanDerWaalsContact C-N 3.28Å; R321-F323 PolarHBondContact O-N 2.57Å; R321-K324 WeakPolarHBondContact O-CB 3.4Å; R321-K324 PolarHBondContact O-N 3.29Å
322	P	40.6	Very low	48.2	Very low	51 Å²	51	86 Å²	86	33%	0.331	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-28	-176.5	19.5	-31.6	0	0	0	114.1	L319 K324 E325 C326	L319-P322 HydrophobicContact CB-CG 4.03Å; L319-P322 HydrophobicContact CD2-CG 3.77Å; L319-P322 HydrophobicContact CG-CG 4.5Å; L319-P322 WeakPolarHBondContact O-CD 2.89Å; L319-P322 WeakPolarHBondContact O-CG 3.26Å; P322-K324 VanDerWaalsContact C-N 3.29Å; P322-K324 PolarHBondContact O-N 3.46Å; P322-E325 PolarHBondContact O-N 3.45Å; P322-C326 PolarHBondContact O-SG 3.49Å
323	F	42.2	Very low	49.6	Very low	9 Å²	9	84.9 Å²	84.9	4%	0.039	41%	0.414	C	S	.	.	H	α-helix	trans	-66.7	-30.5	177.2	-75.5	-61.1	0	0	0	114	F312 L319 R321 E325 I332 Y350 R354	F312-F323 HydrophobicContact CD1-CZ 4.21Å; F312-F323 AromaticContact CE1-CE1 3.28Å; F312-F323 HydrophobicContact CE1-CE1 3.28Å; F312-F323 HydrophobicContact CE1-CE2 4.42Å; F312-F323 AromaticContact CE1-CZ 3.11Å; F312-F323 HydrophobicContact CE1-CZ 3.11Å; F312-F323 HydrophobicContact CE2-CE1 4.35Å; F312-F323 HydrophobicContact CE2-CZ 4.31Å; F312-F323 HydrophobicContact CZ-CD1 4.29Å; F312-F323 AromaticContact CZ-CE1 3.09Å; F312-F323 HydrophobicContact CZ-CE1 3.09Å; F312-F323 HydrophobicContact CZ-CE2 4.45Å; F312-F323 AromaticContact CZ-CZ 3.17Å; F312-F323 HydrophobicContact CZ-CZ 3.17Å; L319-F323 HydrophobicContact CB-CD2 3.88Å; L319-F323 HydrophobicContact CB-CE2 3.42Å; L319-F323 VanDerWaalsContact CB-CE2 3.42Å; L319-F323 HydrophobicContact CB-CZ 4.25Å; L319-F323 WeakPolarHBondContact O-CD2 3.46Å; L319-F323 PolarHBondContact O-N 3.42Å; R321-F323 VanDerWaalsContact C-N 3.28Å; R321-F323 PolarHBondContact O-N 2.57Å; F323-E325 PolarHBondContact O-N 3.21Å; F323-I332 HydrophobicContact CD1-CD1 3.47Å; F323-I332 VanDerWaalsContact CD1-CD1 3.47Å; F323-I332 HydrophobicContact CD1-CG1 4.19Å; F323-I332 HydrophobicContact CE1-CD1 3.41Å; F323-I332 VanDerWaalsContact CE1-CD1 3.41Å; F323-I332 HydrophobicContact CE1-CG1 3.64Å; F323-I332 HydrophobicContact CG-CD1 4.37Å; F323-I332 HydrophobicContact CZ-CD1 4.36Å; F323-I332 HydrophobicContact CZ-CG1 4.49Å; F323-Y350 HydrophobicContact CB-CD2 4.4Å; F323-Y350 HydrophobicContact CB-CE2 3.4Å; F323-Y350 VanDerWaalsContact CB-CE2 3.4Å; F323-Y350 WeakPolarHBondContact CB-OH 3.5Å; F323-Y350 HydrophobicContact CD2-CD2 4.39Å; F323-Y350 HydrophobicContact CD2-CE2 4.14Å; F323-Y350 AromaticContact CG-CE2 3.97Å; F323-Y350 HydrophobicContact CG-CE2 3.97Å; F323-R354 PolarHBondContact O-NH2 2.9Å
324	K	42.7	Very low	51	Low	174 Å²	174	84.1 Å²	84.1	76%	0.757	41%	0.405	S	S	*	.	H	α-helix	trans	-65.8	-25.8	-178.2	-152.8	173.1	-178.5	180	0	112.9	R321 P322 R354	R321-K324 WeakPolarHBondContact O-CB 3.4Å; R321-K324 PolarHBondContact O-N 3.29Å; P322-K324 VanDerWaalsContact C-N 3.29Å; P322-K324 PolarHBondContact O-N 3.46Å; K324-R354 VanDerWaalsContact CA-NH2 3.35Å
325	E	41.6	Very low	52	Low	144 Å²	144	83.3 Å²	83.3	67%	0.673	40%	0.396	S	S	*	.	H	α-helix	trans	-104.3	-11.8	-172.6	-62	-176.9	178.1	0	0	113.8	P322 F323	P322-E325 PolarHBondContact O-N 3.45Å; F323-E325 PolarHBondContact O-N 3.21Å
326	C	47.4	Very low	53.1	Low	74 Å²	74	80 Å²	80	50%	0.5	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	4.6	-167.7	-64.4	0	0	0	0	116.8	P322 F328	P322-C326 PolarHBondContact O-SG 3.49Å; C326-F328 PolarHBondContact O-N 2.95Å
327	H	51.9	Low	54.6	Low	171 Å²	171	82.7 Å²	82.7	79%	0.792	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	34.9	-176.2	-67	-69.5	0	0	0	114.4	D329	H327-D329 PolarHBondContact O-N 2.65Å
328	F	59.2	Low	56.3	Low	48 Å²	48	88 Å²	88	21%	0.211	41%	0.41	C	S	.	.			trans	-83.8	26.4	-171.8	-135	-97	0	0	0	113.3	C326 D330 R331 I332	C326-F328 PolarHBondContact O-N 2.95Å; F328-D330 PolarHBondContact O-N 3.31Å; F328-R331 HydrophobicContact CD1-CB 3.9Å; F328-R331 HydrophobicContact CE1-CB 3.73Å; F328-R331 HydrophobicContact CE1-CG 4.41Å; F328-R331 PolarHBondContact O-N 3.06Å; F328-I332 HydrophobicContact CB-CD1 4.48Å; F328-I332 HydrophobicContact CD1-CG1 4.45Å; F328-I332 WeakPolarHBondContact O-CD1 3.29Å; F328-I332 WeakPolarHBondContact O-CG1 3.32Å
329	D	62.7	Low	57.4	Low	12 Å²	12	82.2 Å²	82.2	6%	0.064	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.6	-155.7	-68	-44.9	0	0	0	114.9	H327 Y350 Y351 R354 M357 K360	H327-D329 PolarHBondContact O-N 2.65Å; D329-Y350 PolarHBondContact OD1-OH 3.41Å; D329-Y350 VanDerWaalsContact OD1-OH 3.11Å; D329-Y351 WeakPolarHBondContact O-CE1 3.32Å; D329-Y351 PolarHBondContact O-OH 3.12Å; D329-R354 IonicContact OD1-CZ 2.84Å; D329-R354 IonicContact OD1-NE 2.78Å; D329-R354 IonicContact OD1-NH1 3.33Å; D329-R354 PolarHBondContact OD1-NH1 3.29Å; D329-R354 IonicContact OD1-NH2 3.17Å; D329-R354 IonicContact OD2-CZ 3.41Å; D329-R354 IonicContact OD2-NH1 2.93Å; D329-R354 PolarHBondContact OD2-NH1 3.13Å; D329-M357 HydrophobicContact CB-CE 3.52Å; D329-M357 HydrophobicContact CB-SD 3.42Å; D329-M357 WeakPolarHBondContact CB-SD 3.26Å; D329-M357 VanDerWaalsContact CG-SD 3.5Å; D329-M357 WeakPolarHBondContact OD2-CE 3.27Å; D329-K360 PolarHBondContact O-NZ 3.04Å
330	D	64.7	Low	58.9	Low	116 Å²	116	84.9 Å²	84.9	62%	0.62	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-37.8	175.1	-65.7	-34.3	0	0	0	112	F328 K360	F328-D330 PolarHBondContact O-N 3.31Å; D330-K360 IonicContact OD1-NZ 3.76Å; D330-K360 PolarHBondContact OD1-NZ 3.22Å
331	R	65.2	Low	60.7	Low	151 Å²	151	84.7 Å²	84.7	57%	0.57	41%	0.411	S	S	*	.	H	α-helix	trans	-79.4	-21.8	-172.1	-67.3	-174.1	179	-167.8	-0.4	114.1	F328 V333 D334 L335	F328-R331 HydrophobicContact CD1-CB 3.9Å; F328-R331 HydrophobicContact CE1-CB 3.73Å; F328-R331 HydrophobicContact CE1-CG 4.41Å; F328-R331 PolarHBondContact O-N 3.06Å; R331-V333 PolarHBondContact O-N 3.47Å; R331-D334 PolarHBondContact O-N 2.86Å; R331-L335 WeakPolarHBondContact O-CG 3.38Å; R331-L335 PolarHBondContact O-N 3.39Å
332	I	68	Low	62.4	Low	1 Å²	1	77.7 Å²	77.7	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-65	-34.6	178	-59.5	156.7	0	0	0	109.9	F312 F323 F328 L335 A336 A347 Y350 Y351	F312-I332 HydrophobicContact CE1-CG1 4.24Å; F323-I332 HydrophobicContact CD1-CD1 3.47Å; F323-I332 VanDerWaalsContact CD1-CD1 3.47Å; F323-I332 HydrophobicContact CD1-CG1 4.19Å; F323-I332 HydrophobicContact CE1-CD1 3.41Å; F323-I332 VanDerWaalsContact CE1-CD1 3.41Å; F323-I332 HydrophobicContact CE1-CG1 3.64Å; F323-I332 HydrophobicContact CG-CD1 4.37Å; F323-I332 HydrophobicContact CZ-CD1 4.36Å; F323-I332 HydrophobicContact CZ-CG1 4.49Å; F328-I332 HydrophobicContact CB-CD1 4.48Å; F328-I332 HydrophobicContact CD1-CG1 4.45Å; F328-I332 WeakPolarHBondContact O-CD1 3.29Å; F328-I332 WeakPolarHBondContact O-CG1 3.32Å; I332-L335 PolarHBondContact O-N 3.28Å; I332-A336 WeakPolarHBondContact O-CB 3.1Å; I332-A336 PolarHBondContact O-N 2.92Å; I332-A347 HydrophobicContact CG2-CB 4.24Å; I332-Y350 HydrophobicContact CD1-CD1 4.44Å; I332-Y350 HydrophobicContact CD1-CE1 3.74Å; I332-Y351 HydrophobicContact CB-CE2 4.16Å; I332-Y351 VanDerWaalsContact CB-OH 3.29Å; I332-Y351 WeakPolarHBondContact CB-OH 3.5Å; I332-Y351 HydrophobicContact CG2-CE2 3.92Å
333	V	71	Confident	63.8	Low	13 Å²	13	75.7 Å²	75.7	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-59	-53.5	175	-177.6	0	0	0	0	110.8	R331 L335 A336 L337 Y351 K360 M363	R331-V333 PolarHBondContact O-N 3.47Å; V333-L335 PolarHBondContact O-N 2.93Å; V333-A336 PolarHBondContact O-N 3.39Å; V333-A336 VanDerWaalsContact O-N 3.1Å; V333-L337 HydrophobicContact CG1-CD1 3.98Å; V333-L337 HydrophobicContact CG1-CG 4.18Å; V333-L337 WeakPolarHBondContact O-CB 3.42Å; V333-L337 VanDerWaalsContact O-CG 3.24Å; V333-L337 WeakPolarHBondContact O-CG 3.37Å; V333-L337 PolarHBondContact O-N 2.98Å; V333-Y351 HydrophobicContact CG2-CE2 3.84Å; V333-Y351 VanDerWaalsContact CG2-OH 3.26Å; V333-Y351 WeakPolarHBondContact CG2-OH 3.42Å; V333-Y351 PolarHBondContact N-OH 3.22Å; V333-K360 HydrophobicContact CG2-CB 3.84Å; V333-K360 HydrophobicContact CG2-CD 3.59Å; V333-K360 HydrophobicContact CG2-CG 3.75Å; V333-M363 HydrophobicContact CG1-CE 3.22Å
334	D	71.3	Confident	65.6	Low	96 Å²	96	75.7 Å²	75.7	51%	0.513	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-32.9	-177.9	-65.8	-26.5	0	0	0	112.9	R331 K338	R331-D334 PolarHBondContact O-N 2.86Å; D334-K338 WeakPolarHBondContact O-CG 2.86Å
335	L	65.8	Low	67.4	Low	45 Å²	45	69.3 Å²	69.3	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-76.6	-43.5	176	-67.8	170.4	0	0	0	111.6	F312 R331 I332 V333 L337 K338 A339	F312-L335 HydrophobicContact CB-CD1 4.46Å; F312-L335 HydrophobicContact CD1-CD1 4.1Å; F312-L335 HydrophobicContact CE1-CD1 4.47Å; F312-L335 HydrophobicContact CG-CD1 4.23Å; R331-L335 WeakPolarHBondContact O-CG 3.38Å; R331-L335 PolarHBondContact O-N 3.39Å; I332-L335 PolarHBondContact O-N 3.28Å; V333-L335 PolarHBondContact O-N 2.93Å; L335-L337 VanDerWaalsContact C-N 3.3Å; L335-L337 PolarHBondContact O-N 3.31Å; L335-K338 PolarHBondContact O-N 3.09Å; L335-K338 VanDerWaalsContact O-N 3.11Å; L335-A339 PolarHBondContact O-N 3.09Å
336	A	70.6	Confident	69.1	Low	2 Å²	2	64.5 Å²	64.5	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-36.3	179.2	0	0	0	0	0	111.8	I332 V333 K338 A339 A347 L364	I332-A336 WeakPolarHBondContact O-CB 3.1Å; I332-A336 PolarHBondContact O-N 2.92Å; V333-A336 PolarHBondContact O-N 3.39Å; V333-A336 VanDerWaalsContact O-N 3.1Å; A336-K338 PolarHBondContact O-N 3.39Å; A336-A339 PolarHBondContact O-N 3.43Å; A336-A339 VanDerWaalsContact O-N 3.15Å; A336-A347 HydrophobicContact CB-CB 3.74Å; A336-L364 HydrophobicContact CB-CD2 3.73Å
337	L	75.6	Confident	70.5	Confident	60 Å²	60	61 Å²	61	31%	0.314	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.9	174.8	-69.6	-179.7	0	0	0	113.8	V333 L335 M344 M363 L364 K367	V333-L337 HydrophobicContact CG1-CD1 3.98Å; V333-L337 HydrophobicContact CG1-CG 4.18Å; V333-L337 WeakPolarHBondContact O-CB 3.42Å; V333-L337 VanDerWaalsContact O-CG 3.24Å; V333-L337 WeakPolarHBondContact O-CG 3.37Å; V333-L337 PolarHBondContact O-N 2.98Å; L335-L337 VanDerWaalsContact C-N 3.3Å; L335-L337 PolarHBondContact O-N 3.31Å; L337-M344 HydrophobicContact CD2-CE 4.48Å; L337-M363 HydrophobicContact CD1-CE 4.31Å; L337-M363 HydrophobicContact CD2-CE 4.14Å; L337-M363 HydrophobicContact CG-CE 4.49Å; L337-L364 HydrophobicContact CD2-CD2 4.19Å; L337-K367 HydrophobicContact CD2-CD 3.2Å
338	K	74.1	Confident	72.1	Confident	178 Å²	178	52.8 Å²	52.8	77%	0.774	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-6.8	178	-65.5	173.5	-175.6	175.4	0	112.8	D334 L335 A336	D334-K338 WeakPolarHBondContact O-CG 2.86Å; L335-K338 PolarHBondContact O-N 3.09Å; L335-K338 VanDerWaalsContact O-N 3.11Å; A336-K338 PolarHBondContact O-N 3.39Å
339	A	67.3	Low	73.2	Confident	30 Å²	30	55.5 Å²	55.5	25%	0.248	29%	0.285	C	S	.	.	S	Bend	trans	-94.8	-178.8	-174.7	0	0	0	0	0	112.1	L335 A336 V343	L335-A339 PolarHBondContact O-N 3.09Å; A336-A339 PolarHBondContact O-N 3.43Å; A336-A339 VanDerWaalsContact O-N 3.15Å; A339-V343 HydrophobicContact CB-CB 3.67Å; A339-V343 HydrophobicContact CB-CG1 3.61Å; A339-V343 HydrophobicContact CB-CG2 4.26Å
340	T	74.8	Confident	74	Confident	87 Å²	87	55.7 Å²	55.7	53%	0.534	29%	0.285	S	S	.	.			trans	-71.1	157.4	173.3	53.9	0	0	0	0	111.6	S342 V343 M344	T340-S342 PolarHBondContact O-N 2.98Å; T340-S342 VanDerWaalsContact O-N 3.11Å; T340-S342 PolarHBondContact OG1-OG 3.21Å; T340-V343 WeakPolarHBondContact O-CB 3.28Å; T340-V343 PolarHBondContact O-N 3.4Å; T340-M344 PolarHBondContact O-N 3.43Å; T340-M344 VanDerWaalsContact O-N 3.12Å
341	N	79.6	Confident	74.8	Confident	97 Å²	97	50.2 Å²	50.2	52%	0.519	26%	0.255	S	S	.	.	H	α-helix	trans	-53.8	-35.2	179.3	-67.3	0.5	0	0	0	113.1	V343 M344 I345	N341-V343 PolarHBondContact O-N 3.04Å; N341-M344 WeakPolarHBondContact O-CB 3.14Å; N341-M344 PolarHBondContact O-N 3.42Å; N341-I345 VanDerWaalsContact O-CG1 3.3Å; N341-I345 WeakPolarHBondContact O-CG1 3.3Å; N341-I345 PolarHBondContact O-N 3.21Å
342	S	73.8	Confident	75.4	Confident	72 Å²	72	44.6 Å²	44.6	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-44.9	175.1	52.6	0	0	0	0	113	T340 M344 I345 D346	T340-S342 PolarHBondContact O-N 2.98Å; T340-S342 VanDerWaalsContact O-N 3.11Å; T340-S342 PolarHBondContact OG1-OG 3.21Å; S342-M344 VanDerWaalsContact C-N 3.32Å; S342-I345 PolarHBondContact O-N 3.36Å; S342-D346 PolarHBondContact O-N 3.18Å; S342-D346 VanDerWaalsContact O-N 3.09Å
343	V	70.7	Confident	76	Confident	9 Å²	9	51.7 Å²	51.7	6%	0.055	28%	0.275	C	S	.	.	H	α-helix	trans	-69.6	-34.8	178.7	178.4	0	0	0	0	110.6	V316 A339 T340 N341 D346 A347	V316-V343 HydrophobicContact CB-CG1 4.38Å; V316-V343 HydrophobicContact CG2-CG1 3.57Å; A339-V343 HydrophobicContact CB-CB 3.67Å; A339-V343 HydrophobicContact CB-CG1 3.61Å; A339-V343 HydrophobicContact CB-CG2 4.26Å; T340-V343 WeakPolarHBondContact O-CB 3.28Å; T340-V343 PolarHBondContact O-N 3.4Å; N341-V343 PolarHBondContact O-N 3.04Å; V343-D346 PolarHBondContact O-N 3.2Å; V343-A347 WeakPolarHBondContact O-CB 3.37Å; V343-A347 PolarHBondContact O-N 3.37Å
344	M	78.9	Confident	76.1	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.049	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-42.4	175.8	-161.4	178.1	-63	0	0	112	L337 T340 N341 S342 A347 A348 L364 K367 A368	L337-M344 HydrophobicContact CD2-CE 4.48Å; T340-M344 PolarHBondContact O-N 3.43Å; T340-M344 VanDerWaalsContact O-N 3.12Å; N341-M344 WeakPolarHBondContact O-CB 3.14Å; N341-M344 PolarHBondContact O-N 3.42Å; S342-M344 VanDerWaalsContact C-N 3.32Å; M344-A347 PolarHBondContact O-N 3.38Å; M344-A348 WeakPolarHBondContact O-CB 3.44Å; M344-A348 PolarHBondContact O-N 2.8Å; M344-L364 HydrophobicContact CG-CB 4.02Å; M344-L364 HydrophobicContact CG-CD2 3.63Å; M344-L364 HydrophobicContact CG-CG 4.43Å; M344-L364 HydrophobicContact SD-CD2 4.41Å; M344-K367 HydrophobicContact CE-CB 4.34Å; M344-K367 VanDerWaalsContact SD-C 3.54Å; M344-K367 HydrophobicContact SD-CB 3.53Å; M344-K367 VanDerWaalsContact SD-CB 3.53Å; M344-A368 HydrophobicContact CB-CB 4.35Å; M344-A368 HydrophobicContact CG-CB 4.26Å; M344-A368 HydrophobicContact SD-CB 3.95Å; M344-A368 PolarHBondContact SD-N 3.38Å; M344-A368 VanDerWaalsContact SD-N 3.39Å
345	I	82	Confident	75.9	Confident	39 Å²	39	58.1 Å²	58.1	20%	0.2	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-43.6	175.9	-65.8	164.6	0	0	0	110.9	N341 S342 A347 A348 K349 Y365 A368 L370	N341-I345 VanDerWaalsContact O-CG1 3.3Å; N341-I345 WeakPolarHBondContact O-CG1 3.3Å; N341-I345 PolarHBondContact O-N 3.21Å; S342-I345 PolarHBondContact O-N 3.36Å; I345-A347 VanDerWaalsContact C-N 3.33Å; I345-A347 PolarHBondContact O-N 3.09Å; I345-A348 WeakPolarHBondContact O-CB 3.28Å; I345-A348 PolarHBondContact O-N 2.9Å; I345-K349 HydrophobicContact CG2-CD 4.36Å; I345-K349 WeakPolarHBondContact O-CG 3.32Å; I345-K349 PolarHBondContact O-N 3.43Å; I345-Y365 HydrophobicContact CG2-CE1 4.42Å; I345-A368 HydrophobicContact CG1-CB 3.96Å; I345-L370 HydrophobicContact CD1-CD1 3.76Å; I345-L370 HydrophobicContact CG1-CD1 3.83Å
346	D	76.6	Confident	76.3	Confident	43 Å²	43	59.3 Å²	59.3	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-40.8	176.8	-77.4	-9.7	0	0	0	111.5	V316 S317 S342 V343 K349 Y350	V316-D346 HydrophobicContact CB-CB 3.97Å; V316-D346 HydrophobicContact CG1-CB 4.1Å; S317-D346 WeakPolarHBondContact CB-OD2 3.43Å; S317-D346 PolarHBondContact OG-OD2 3.33Å; S342-D346 PolarHBondContact O-N 3.18Å; S342-D346 VanDerWaalsContact O-N 3.09Å; V343-D346 PolarHBondContact O-N 3.2Å; D346-K349 PolarHBondContact O-N 3.15Å; D346-Y350 PolarHBondContact O-N 3.25Å; D346-Y350 VanDerWaalsContact O-N 3.1Å
347	A	78	Confident	76.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-41.8	173.5	0	0	0	0	0	111.8	V316 I332 A336 V343 M344 I345 Y350 Y351 L364	V316-A347 HydrophobicContact CG1-CB 4.09Å; I332-A347 HydrophobicContact CG2-CB 4.24Å; A336-A347 HydrophobicContact CB-CB 3.74Å; V343-A347 WeakPolarHBondContact O-CB 3.37Å; V343-A347 PolarHBondContact O-N 3.37Å; M344-A347 PolarHBondContact O-N 3.38Å; I345-A347 VanDerWaalsContact C-N 3.33Å; I345-A347 PolarHBondContact O-N 3.09Å; A347-Y350 WeakPolarHBondContact O-CB 3.24Å; A347-Y350 PolarHBondContact O-N 3.1Å; A347-Y351 WeakPolarHBondContact O-CD2 3.45Å; A347-Y351 PolarHBondContact O-N 3.4Å; A347-L364 HydrophobicContact CB-CD1 3.92Å
348	A	83.5	Confident	76.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-44.1	177.3	0	0	0	0	0	111.9	M344 I345 Y350 Y351 G352 L364 Y365	M344-A348 WeakPolarHBondContact O-CB 3.44Å; M344-A348 PolarHBondContact O-N 2.8Å; I345-A348 WeakPolarHBondContact O-CB 3.28Å; I345-A348 PolarHBondContact O-N 2.9Å; A348-Y350 VanDerWaalsContact C-N 3.3Å; A348-Y350 PolarHBondContact O-N 3.34Å; A348-Y351 PolarHBondContact O-N 3.32Å; A348-G352 PolarHBondContact O-N 3.11Å; A348-L364 HydrophobicContact CB-CB 3.72Å; A348-Y365 HydrophobicContact CB-CD1 3.88Å; A348-Y365 HydrophobicContact CB-CD2 3.66Å; A348-Y365 HydrophobicContact CB-CE1 3.77Å; A348-Y365 HydrophobicContact CB-CE2 3.54Å; A348-Y365 HydrophobicContact CB-CG 3.82Å
349	K	83.6	Confident	77.3	Confident	105 Å²	105	53.6 Å²	53.6	46%	0.457	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-39.8	174.2	-73.6	174.5	-178.6	172.4	0	112.3	I345 D346 K353 Y365	I345-K349 HydrophobicContact CG2-CD 4.36Å; I345-K349 WeakPolarHBondContact O-CG 3.32Å; I345-K349 PolarHBondContact O-N 3.43Å; D346-K349 PolarHBondContact O-N 3.15Å; K349-K353 PolarHBondContact O-N 2.96Å; K349-Y365 VanDerWaalsContact CG-OH 3.26Å; K349-Y365 WeakPolarHBondContact CG-OH 3.2Å
350	Y	79.3	Confident	78	Confident	16 Å²	16	53.8 Å²	53.8	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-45.7	176.4	165	-92.7	0	0	0	111.9	F323 D329 I332 D346 A347 A348 K353 R354	F323-Y350 HydrophobicContact CB-CD2 4.4Å; F323-Y350 HydrophobicContact CB-CE2 3.4Å; F323-Y350 VanDerWaalsContact CB-CE2 3.4Å; F323-Y350 WeakPolarHBondContact CB-OH 3.5Å; F323-Y350 HydrophobicContact CD2-CD2 4.39Å; F323-Y350 HydrophobicContact CD2-CE2 4.14Å; F323-Y350 AromaticContact CG-CE2 3.97Å; F323-Y350 HydrophobicContact CG-CE2 3.97Å; D329-Y350 PolarHBondContact OD1-OH 3.41Å; D329-Y350 VanDerWaalsContact OD1-OH 3.11Å; I332-Y350 HydrophobicContact CD1-CD1 4.44Å; I332-Y350 HydrophobicContact CD1-CE1 3.74Å; D346-Y350 PolarHBondContact O-N 3.25Å; D346-Y350 VanDerWaalsContact O-N 3.1Å; A347-Y350 WeakPolarHBondContact O-CB 3.24Å; A347-Y350 PolarHBondContact O-N 3.1Å; A348-Y350 VanDerWaalsContact C-N 3.3Å; A348-Y350 PolarHBondContact O-N 3.34Å; Y350-K353 PolarHBondContact O-N 3.49Å; Y350-R354 VanDerWaalsContact CZ-NE 3.35Å; Y350-R354 PolarHBondContact OH-NE 3.38Å; Y350-R354 PolarHBondContact OH-NH2 3.25Å
351	Y	80.8	Confident	78.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.7	-34.7	177.5	-76.7	-65.4	0	0	0	113.2	D329 I332 V333 A347 A348 K353 R354 M357 K360 L364	D329-Y351 WeakPolarHBondContact O-CE1 3.32Å; D329-Y351 PolarHBondContact O-OH 3.12Å; I332-Y351 HydrophobicContact CB-CE2 4.16Å; I332-Y351 VanDerWaalsContact CB-OH 3.29Å; I332-Y351 WeakPolarHBondContact CB-OH 3.5Å; I332-Y351 HydrophobicContact CG2-CE2 3.92Å; V333-Y351 HydrophobicContact CG2-CE2 3.84Å; V333-Y351 VanDerWaalsContact CG2-OH 3.26Å; V333-Y351 WeakPolarHBondContact CG2-OH 3.42Å; V333-Y351 PolarHBondContact N-OH 3.22Å; A347-Y351 WeakPolarHBondContact O-CD2 3.45Å; A347-Y351 PolarHBondContact O-N 3.4Å; A348-Y351 PolarHBondContact O-N 3.32Å; Y351-K353 PolarHBondContact O-N 3.42Å; Y351-R354 PolarHBondContact O-N 3.44Å; Y351-M357 HydrophobicContact CD1-CB 3.72Å; Y351-M357 HydrophobicContact CD1-CG 4.43Å; Y351-M357 HydrophobicContact CD1-SD 3.89Å; Y351-M357 HydrophobicContact CE1-CB 4.29Å; Y351-M357 HydrophobicContact CE1-SD 3.85Å; Y351-K360 HydrophobicContact CD1-CB 4.37Å; Y351-K360 HydrophobicContact CD1-CD 4.39Å; Y351-K360 HydrophobicContact CD2-CB 4.36Å; Y351-K360 HydrophobicContact CE1-CD 3.94Å; Y351-K360 HydrophobicContact CG-CB 4.26Å; Y351-L364 HydrophobicContact CD2-CD1 3.55Å; Y351-L364 HydrophobicContact CE2-CD1 3.78Å
352	G	79.3	Confident	78.8	Confident	33 Å²	33	45 Å²	45	34%	0.34	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-27.9	178.2	0	0	0	0	0	113.6	A348 R354	A348-G352 PolarHBondContact O-N 3.11Å; G352-R354 VanDerWaalsContact C-N 3.31Å
353	K	79.4	Confident	79.3	Confident	150 Å²	150	44.4 Å²	44.4	65%	0.652	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.6	175.1	-67.9	179.5	-175.2	178.1	0	113.6	E320 K349 Y350 Y351	E320-K353 IonicContact OE1-NZ 2.7Å; E320-K353 PolarHBondContact OE1-NZ 2.78Å; K349-K353 PolarHBondContact O-N 2.96Å; Y350-K353 PolarHBondContact O-N 3.49Å; Y351-K353 PolarHBondContact O-N 3.42Å
354	R	72.8	Confident	80	Confident	50 Å²	50	44 Å²	44	19%	0.189	23%	0.233	C	C	.	.	S	Bend	trans	-101.3	126.7	-175.7	-75.9	-178.1	164.7	-131.2	11.5	111.5	F323 K324 D329 Y350 Y351 G352 G356	F323-R354 PolarHBondContact O-NH2 2.9Å; K324-R354 VanDerWaalsContact CA-NH2 3.35Å; D329-R354 IonicContact OD1-CZ 2.84Å; D329-R354 IonicContact OD1-NE 2.78Å; D329-R354 IonicContact OD1-NH1 3.33Å; D329-R354 PolarHBondContact OD1-NH1 3.29Å; D329-R354 IonicContact OD1-NH2 3.17Å; D329-R354 IonicContact OD2-CZ 3.41Å; D329-R354 IonicContact OD2-NH1 2.93Å; D329-R354 PolarHBondContact OD2-NH1 3.13Å; Y350-R354 VanDerWaalsContact CZ-NE 3.35Å; Y350-R354 PolarHBondContact OH-NE 3.38Å; Y350-R354 PolarHBondContact OH-NH2 3.25Å; Y351-R354 PolarHBondContact O-N 3.44Å; G352-R354 VanDerWaalsContact C-N 3.31Å; R354-G356 PolarHBondContact O-N 3.19Å
355	Q	67.1	Low	80.4	Confident	195 Å²	195	44.4 Å²	44.4	91%	0.911	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	127.8	171.5	-67	-175.9	-11.8	0	0	109.9
356	G	73.8	Confident	80.5	Confident	70 Å²	70	43.2 Å²	43.2	72%	0.722	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.8	-7.5	174.5	0	0	0	0	0	117.2	R354	R354-G356 PolarHBondContact O-N 3.19Å
357	M	78	Confident	80.9	Confident	35 Å²	35	46.2 Å²	46.2	17%	0.172	24%	0.238	C	C	.	.			trans	-122.1	21.1	178.8	-62.1	168.2	-151.7	0	0	113.1	D329 Y351 D359 K360 A361	D329-M357 HydrophobicContact CB-CE 3.52Å; D329-M357 HydrophobicContact CB-SD 3.42Å; D329-M357 WeakPolarHBondContact CB-SD 3.26Å; D329-M357 VanDerWaalsContact CG-SD 3.5Å; D329-M357 WeakPolarHBondContact OD2-CE 3.27Å; Y351-M357 HydrophobicContact CD1-CB 3.72Å; Y351-M357 HydrophobicContact CD1-CG 4.43Å; Y351-M357 HydrophobicContact CD1-SD 3.89Å; Y351-M357 HydrophobicContact CE1-CB 4.29Å; Y351-M357 HydrophobicContact CE1-SD 3.85Å; M357-D359 WeakPolarHBondContact CA-OD1 3.48Å; M357-D359 PolarHBondContact O-N 3.05Å; M357-K360 HydrophobicContact CB-CD 4.3Å; M357-K360 WeakPolarHBondContact O-CB 3.43Å; M357-K360 PolarHBondContact O-N 3.31Å; M357-A361 PolarHBondContact O-N 3.46Å
358	V	82.5	Confident	81.2	Confident	14 Å²	14	46.9 Å²	46.9	9%	0.085	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-28.6	-178.4	168	0	0	0	0	110.7	K360 A361 V362 L377 T381 Q383	V358-K360 VanDerWaalsContact C-N 3.31Å; V358-K360 PolarHBondContact O-N 3.47Å; V358-A361 WeakPolarHBondContact O-CA 3.2Å; V358-A361 VanDerWaalsContact O-CB 3.31Å; V358-A361 WeakPolarHBondContact O-CB 3.37Å; V358-A361 PolarHBondContact O-N 3.3Å; V358-V362 HydrophobicContact CG1-CG2 4.48Å; V358-V362 WeakPolarHBondContact O-CG2 3.41Å; V358-V362 PolarHBondContact O-N 3.11Å; V358-L377 HydrophobicContact CB-CD2 4.37Å; V358-L377 HydrophobicContact CG1-CD2 3.3Å; V358-L377 HydrophobicContact CG1-CG 4.41Å; V358-T381 HydrophobicContact CB-CG2 4.37Å; V358-T381 VanDerWaalsContact CG1-CB 3.48Å; V358-T381 HydrophobicContact CG1-CG2 3.46Å; V358-T381 VanDerWaalsContact CG1-CG2 3.46Å; V358-T381 WeakPolarHBondContact CG1-OG1 3.49Å; V358-T381 HydrophobicContact CG2-CG2 4.09Å; V358-Q383 VanDerWaalsContact C-OE1 3.31Å; V358-Q383 HydrophobicContact CG1-CG 4.28Å
359	D	81.9	Confident	81.2	Confident	70 Å²	70	49 Å²	49	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-42.4	176.6	58.6	-33.1	0	0	0	111.7	M357 V362 M363	M357-D359 WeakPolarHBondContact CA-OD1 3.48Å; M357-D359 PolarHBondContact O-N 3.05Å; D359-V362 PolarHBondContact O-N 3.25Å; D359-M363 WeakPolarHBondContact O-CB 3.46Å; D359-M363 PolarHBondContact O-N 2.91Å
360	K	82.8	Confident	81.2	Confident	34 Å²	34	47 Å²	47	15%	0.148	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-38.2	174	-62.8	169.2	174.4	173.2	0	111.3	D329 D330 V333 Y351 M357 V358 M363 L364	D329-K360 PolarHBondContact O-NZ 3.04Å; D330-K360 IonicContact OD1-NZ 3.76Å; D330-K360 PolarHBondContact OD1-NZ 3.22Å; V333-K360 HydrophobicContact CG2-CB 3.84Å; V333-K360 HydrophobicContact CG2-CD 3.59Å; V333-K360 HydrophobicContact CG2-CG 3.75Å; Y351-K360 HydrophobicContact CD1-CB 4.37Å; Y351-K360 HydrophobicContact CD1-CD 4.39Å; Y351-K360 HydrophobicContact CD2-CB 4.36Å; Y351-K360 HydrophobicContact CE1-CD 3.94Å; Y351-K360 HydrophobicContact CG-CB 4.26Å; M357-K360 HydrophobicContact CB-CD 4.3Å; M357-K360 WeakPolarHBondContact O-CB 3.43Å; M357-K360 PolarHBondContact O-N 3.31Å; V358-K360 VanDerWaalsContact C-N 3.31Å; V358-K360 PolarHBondContact O-N 3.47Å; K360-M363 PolarHBondContact O-N 3.42Å; K360-L364 WeakPolarHBondContact O-CB 3.33Å; K360-L364 WeakPolarHBondContact O-CG 3.39Å; K360-L364 PolarHBondContact O-N 3.28Å
361	A	85.7	Confident	81.3	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-49.9	175.6	0	0	0	0	0	111.4	M357 V358 M363 L364 Y365 L377	M357-A361 PolarHBondContact O-N 3.46Å; V358-A361 WeakPolarHBondContact O-CA 3.2Å; V358-A361 VanDerWaalsContact O-CB 3.31Å; V358-A361 WeakPolarHBondContact O-CB 3.37Å; V358-A361 PolarHBondContact O-N 3.3Å; A361-M363 VanDerWaalsContact C-N 3.3Å; A361-M363 PolarHBondContact O-N 2.92Å; A361-L364 PolarHBondContact O-N 3.48Å; A361-Y365 WeakPolarHBondContact O-CD2 3.48Å; A361-Y365 PolarHBondContact O-N 3.16Å; A361-L377 HydrophobicContact CB-CD1 4.13Å; A361-L377 HydrophobicContact CB-CD2 4.05Å
362	V	85.1	Confident	81.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-46.2	176.5	179.6	0	0	0	0	110.2	V358 D359 L364 Y365 H366 A374 L377 A378 A386 V390	V358-V362 HydrophobicContact CG1-CG2 4.48Å; V358-V362 WeakPolarHBondContact O-CG2 3.41Å; V358-V362 PolarHBondContact O-N 3.11Å; D359-V362 PolarHBondContact O-N 3.25Å; V362-L364 PolarHBondContact O-N 3Å; V362-Y365 PolarHBondContact O-N 3.5Å; V362-H366 VanDerWaalsContact O-CB 3.23Å; V362-H366 WeakPolarHBondContact O-CB 3.37Å; V362-H366 PolarHBondContact O-N 3.46Å; V362-A374 HydrophobicContact CG1-CB 4.16Å; V362-L377 HydrophobicContact CB-CD2 4.49Å; V362-L377 HydrophobicContact CG2-CD2 3.33Å; V362-A378 HydrophobicContact CG1-CB 4.11Å; V362-A378 HydrophobicContact CG2-CB 3.84Å; V362-A386 HydrophobicContact CB-CB 3.95Å; V362-A386 HydrophobicContact CG1-CB 3.75Å; V362-A386 HydrophobicContact CG2-CB 4.28Å; V362-V390 HydrophobicContact CG1-CG2 3.96Å
363	M	83	Confident	81.6	Confident	58 Å²	58	55 Å²	55	29%	0.286	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-41.3	179.3	-172.3	-156.8	60.2	0	0	112.3	V333 L337 D359 K360 A361 H366 K367	V333-M363 HydrophobicContact CG1-CE 3.22Å; L337-M363 HydrophobicContact CD1-CE 4.31Å; L337-M363 HydrophobicContact CD2-CE 4.14Å; L337-M363 HydrophobicContact CG-CE 4.49Å; D359-M363 WeakPolarHBondContact O-CB 3.46Å; D359-M363 PolarHBondContact O-N 2.91Å; K360-M363 PolarHBondContact O-N 3.42Å; A361-M363 VanDerWaalsContact C-N 3.3Å; A361-M363 PolarHBondContact O-N 2.92Å; M363-H366 PolarHBondContact O-N 3.15Å; M363-K367 HydrophobicContact CG-CD 4.28Å; M363-K367 WeakPolarHBondContact O-CB 3.29Å; M363-K367 WeakPolarHBondContact O-CG 3.45Å; M363-K367 PolarHBondContact O-N 3.36Å
364	L	85.5	Confident	81.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-41.3	178.4	-71	167.9	0	0	0	111.7	A336 L337 M344 A347 A348 Y351 K360 A361 V362 H366 K367 A368	A336-L364 HydrophobicContact CB-CD2 3.73Å; L337-L364 HydrophobicContact CD2-CD2 4.19Å; M344-L364 HydrophobicContact CG-CB 4.02Å; M344-L364 HydrophobicContact CG-CD2 3.63Å; M344-L364 HydrophobicContact CG-CG 4.43Å; M344-L364 HydrophobicContact SD-CD2 4.41Å; A347-L364 HydrophobicContact CB-CD1 3.92Å; A348-L364 HydrophobicContact CB-CB 3.72Å; Y351-L364 HydrophobicContact CD2-CD1 3.55Å; Y351-L364 HydrophobicContact CE2-CD1 3.78Å; K360-L364 WeakPolarHBondContact O-CB 3.33Å; K360-L364 WeakPolarHBondContact O-CG 3.39Å; K360-L364 PolarHBondContact O-N 3.28Å; A361-L364 PolarHBondContact O-N 3.48Å; V362-L364 PolarHBondContact O-N 3Å; L364-H366 VanDerWaalsContact C-N 3.33Å; L364-K367 PolarHBondContact O-N 2.98Å; L364-A368 VanDerWaalsContact O-CB 3.28Å; L364-A368 WeakPolarHBondContact O-CB 3.28Å; L364-A368 PolarHBondContact O-N 3.03Å
365	Y	88	Confident	82.1	Confident	19 Å²	19	46 Å²	46	8%	0.075	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-43.1	173.5	-80.5	-58.8	0	0	0	112.2	I345 A348 K349 A361 V362 A368 G369 L370 E373 L377	I345-Y365 HydrophobicContact CG2-CE1 4.42Å; A348-Y365 HydrophobicContact CB-CD1 3.88Å; A348-Y365 HydrophobicContact CB-CD2 3.66Å; A348-Y365 HydrophobicContact CB-CE1 3.77Å; A348-Y365 HydrophobicContact CB-CE2 3.54Å; A348-Y365 HydrophobicContact CB-CG 3.82Å; K349-Y365 VanDerWaalsContact CG-OH 3.26Å; K349-Y365 WeakPolarHBondContact CG-OH 3.2Å; A361-Y365 WeakPolarHBondContact O-CD2 3.48Å; A361-Y365 PolarHBondContact O-N 3.16Å; V362-Y365 PolarHBondContact O-N 3.5Å; Y365-A368 PolarHBondContact O-N 3.09Å; Y365-G369 PolarHBondContact O-N 2.79Å; Y365-L370 HydrophobicContact CD1-CB 4.32Å; Y365-L370 HydrophobicContact CD1-CD1 4.2Å; Y365-L370 HydrophobicContact CE1-CD1 4.48Å; Y365-L370 PolarHBondContact O-N 2.99Å; Y365-E373 HydrophobicContact CD1-CB 4Å; Y365-E373 WeakPolarHBondContact CD1-OE2 3.45Å; Y365-E373 HydrophobicContact CE1-CB 4.2Å; Y365-E373 WeakPolarHBondContact CE1-OE2 3.44Å; Y365-E373 HydrophobicContact CG-CB 4.25Å; Y365-L377 HydrophobicContact CD2-CD1 4.2Å; Y365-L377 HydrophobicContact CE2-CD1 3.79Å
366	H	84.9	Confident	82.9	Confident	14 Å²	14	39.5 Å²	39.5	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-48.2	177.1	-179.9	62.5	0	0	0	111.8	V362 M363 L364 A368 G369 H371 A374 V390 E393	V362-H366 VanDerWaalsContact O-CB 3.23Å; V362-H366 WeakPolarHBondContact O-CB 3.37Å; V362-H366 PolarHBondContact O-N 3.46Å; M363-H366 PolarHBondContact O-N 3.15Å; L364-H366 VanDerWaalsContact C-N 3.33Å; H366-A368 VanDerWaalsContact C-N 3.29Å; H366-A368 PolarHBondContact O-N 2.97Å; H366-G369 PolarHBondContact O-N 3.18Å; H366-G369 VanDerWaalsContact O-N 3.09Å; H366-H371 AromaticContact CE1-CE1 3.69Å; H366-H371 AromaticContact CE1-ND1 3.74Å; H366-H371 AromaticContact ND1-CE1 3.55Å; H366-H371 AromaticContact ND1-ND1 3.23Å; H366-H371 PolarHBondContact ND1-ND1 3.46Å; H366-A374 HydrophobicContact CB-CB 4.29Å; H366-V390 HydrophobicContact CB-CG2 4.09Å; H366-E393 IonicContact CD2-OE2 3.79Å; H366-E393 IonicContact CE1-OE2 3.61Å; H366-E393 PolarHBondContact CE1-OE2 3.24Å; H366-E393 VanDerWaalsContact CE1-OE2 3.31Å; H366-E393 IonicContact NE2-OE1 3.06Å; H366-E393 IonicContact NE2-OE2 2.84Å; H366-E393 PolarHBondContact NE2-OE2 3.34Å
367	K	84.6	Confident	83.5	Confident	106 Å²	106	37.3 Å²	37.3	46%	0.461	20%	0.202	S	C	.	.	H	α-helix	trans	-70.4	-22.9	178	-73.2	-178.5	176.3	-175.7	0	113.9	L337 M344 M363 L364 G369	L337-K367 HydrophobicContact CD2-CD 3.2Å; M344-K367 HydrophobicContact CE-CB 4.34Å; M344-K367 VanDerWaalsContact SD-C 3.54Å; M344-K367 HydrophobicContact SD-CB 3.53Å; M344-K367 VanDerWaalsContact SD-CB 3.53Å; M363-K367 HydrophobicContact CG-CD 4.28Å; M363-K367 WeakPolarHBondContact O-CB 3.29Å; M363-K367 WeakPolarHBondContact O-CG 3.45Å; M363-K367 PolarHBondContact O-N 3.36Å; L364-K367 PolarHBondContact O-N 2.98Å; K367-G369 PolarHBondContact O-N 3.41Å
368	A	83.8	Confident	83.7	Confident	14 Å²	14	35.7 Å²	35.7	12%	0.116	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.9	172.3	0	0	0	0	0	113.1	M344 I345 L364 Y365 H366	M344-A368 HydrophobicContact CB-CB 4.35Å; M344-A368 HydrophobicContact CG-CB 4.26Å; M344-A368 HydrophobicContact SD-CB 3.95Å; M344-A368 PolarHBondContact SD-N 3.38Å; M344-A368 VanDerWaalsContact SD-N 3.39Å; I345-A368 HydrophobicContact CG1-CB 3.96Å; L364-A368 VanDerWaalsContact O-CB 3.28Å; L364-A368 WeakPolarHBondContact O-CB 3.28Å; L364-A368 PolarHBondContact O-N 3.03Å; Y365-A368 PolarHBondContact O-N 3.09Å; H366-A368 VanDerWaalsContact C-N 3.29Å; H366-A368 PolarHBondContact O-N 2.97Å
369	G	82.6	Confident	83.7	Confident	46 Å²	46	37.4 Å²	37.4	47%	0.474	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	10.5	-177.3	0	0	0	0	0	114.7	Y365 H366 K367 H371	Y365-G369 PolarHBondContact O-N 2.79Å; H366-G369 PolarHBondContact O-N 3.18Å; H366-G369 VanDerWaalsContact O-N 3.09Å; K367-G369 PolarHBondContact O-N 3.41Å; G369-H371 PolarHBondContact O-N 2.82Å
370	L	83.8	Confident	83.7	Confident	61 Å²	61	41.1 Å²	41.1	32%	0.319	22%	0.222	S	C	.	.			trans	-97.8	74.2	178.9	-66	176.7	0	0	0	110.6	I345 Y365 D372 E373 A374	I345-L370 HydrophobicContact CD1-CD1 3.76Å; I345-L370 HydrophobicContact CG1-CD1 3.83Å; Y365-L370 HydrophobicContact CD1-CB 4.32Å; Y365-L370 HydrophobicContact CD1-CD1 4.2Å; Y365-L370 HydrophobicContact CE1-CD1 4.48Å; Y365-L370 PolarHBondContact O-N 2.99Å; L370-D372 PolarHBondContact O-N 3.27Å; L370-E373 HydrophobicContact CB-CB 4.35Å; L370-E373 PolarHBondContact O-N 3.16Å; L370-A374 WeakPolarHBondContact O-CB 3.22Å; L370-A374 PolarHBondContact O-N 2.97Å; L370-A374 VanDerWaalsContact O-N 3.08Å
371	H	82.9	Confident	83.7	Confident	37 Å²	37	42.2 Å²	42.2	17%	0.171	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-35.8	-176.8	-55.7	-59.6	0	0	0	113.1	H366 G369 E373 A374 M375 L394 Q397 M402	H366-H371 AromaticContact CE1-CE1 3.69Å; H366-H371 AromaticContact CE1-ND1 3.74Å; H366-H371 AromaticContact ND1-CE1 3.55Å; H366-H371 AromaticContact ND1-ND1 3.23Å; H366-H371 PolarHBondContact ND1-ND1 3.46Å; G369-H371 PolarHBondContact O-N 2.82Å; H371-E373 PolarHBondContact O-N 3.03Å; H371-A374 PolarHBondContact O-N 3.05Å; H371-M375 WeakPolarHBondContact O-CB 3.46Å; H371-M375 VanDerWaalsContact O-CG 3.27Å; H371-M375 WeakPolarHBondContact O-CG 3.28Å; H371-M375 PolarHBondContact O-N 2.89Å; H371-L394 HydrophobicContact CB-CD2 4.01Å; H371-Q397 PolarHBondContact NE2-OE1 3.35Å; H371-M402 HydrophobicContact CB-CE 4.1Å
372	D	81.5	Confident	83.3	Confident	94 Å²	94	48.1 Å²	48.1	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-58	-48.9	175.9	-81.1	-58.7	0	0	0	112.5	L370 M375 S376 M402	L370-D372 PolarHBondContact O-N 3.27Å; D372-M375 PolarHBondContact O-N 2.93Å; D372-S376 WeakPolarHBondContact O-CB 3.33Å; D372-S376 PolarHBondContact O-N 3.21Å; D372-M402 HydrophobicContact CB-CE 4.17Å; D372-M402 WeakPolarHBondContact OD1-CE 3.42Å
373	E	83.2	Confident	83	Confident	87 Å²	87	49.8 Å²	49.8	41%	0.407	27%	0.267	S	S	.	.	H	α-helix	trans	-68.6	-41.2	179.9	-64.6	-170.8	-179.3	0	0	110.8	Y365 L370 H371 M375 S376 L377	Y365-E373 HydrophobicContact CD1-CB 4Å; Y365-E373 WeakPolarHBondContact CD1-OE2 3.45Å; Y365-E373 HydrophobicContact CE1-CB 4.2Å; Y365-E373 WeakPolarHBondContact CE1-OE2 3.44Å; Y365-E373 HydrophobicContact CG-CB 4.25Å; L370-E373 HydrophobicContact CB-CB 4.35Å; L370-E373 PolarHBondContact O-N 3.16Å; H371-E373 PolarHBondContact O-N 3.03Å; E373-M375 VanDerWaalsContact C-N 3.35Å; E373-M375 PolarHBondContact O-N 3.38Å; E373-S376 PolarHBondContact O-N 3.24Å; E373-L377 VanDerWaalsContact O-CB 3.24Å; E373-L377 WeakPolarHBondContact O-CB 3.34Å; E373-L377 PolarHBondContact O-N 3.44Å
374	A	84.7	Confident	82.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-45.9	175	0	0	0	0	0	111.8	V362 H366 L370 H371 A378 V390	V362-A374 HydrophobicContact CG1-CB 4.16Å; H366-A374 HydrophobicContact CB-CB 4.29Å; L370-A374 WeakPolarHBondContact O-CB 3.22Å; L370-A374 PolarHBondContact O-N 2.97Å; L370-A374 VanDerWaalsContact O-N 3.08Å; H371-A374 PolarHBondContact O-N 3.05Å; A374-A378 VanDerWaalsContact O-CB 3.22Å; A374-A378 WeakPolarHBondContact O-CB 3.38Å; A374-A378 PolarHBondContact O-N 2.9Å; A374-V390 HydrophobicContact CB-CG2 4.46Å
375	M	79.8	Confident	82.4	Confident	11 Å²	11	54.9 Å²	54.9	5%	0.054	30%	0.297	C	S	.	.	H	α-helix	trans	-72.6	-41.1	-180	-71.2	-171.2	-47.9	0	0	112.9	H371 D372 E373 L377 A378 S379 M387 V390 L394 M402 C406	H371-M375 WeakPolarHBondContact O-CB 3.46Å; H371-M375 VanDerWaalsContact O-CG 3.27Å; H371-M375 WeakPolarHBondContact O-CG 3.28Å; H371-M375 PolarHBondContact O-N 2.89Å; D372-M375 PolarHBondContact O-N 2.93Å; E373-M375 VanDerWaalsContact C-N 3.35Å; E373-M375 PolarHBondContact O-N 3.38Å; M375-L377 VanDerWaalsContact C-N 3.3Å; M375-L377 PolarHBondContact O-N 3.49Å; M375-A378 PolarHBondContact O-N 3.07Å; M375-S379 VanDerWaalsContact O-CB 3.3Å; M375-S379 WeakPolarHBondContact O-CB 3.04Å; M375-S379 PolarHBondContact O-N 2.99Å; M375-S379 PolarHBondContact O-OG 2.64Å; M375-S379 VanDerWaalsContact O-OG 3.1Å; M375-M387 HydrophobicContact CB-SD 4.47Å; M375-M387 HydrophobicContact CG-SD 4.12Å; M375-V390 HydrophobicContact CG-CG1 3.85Å; M375-L394 HydrophobicContact SD-CD1 3.66Å; M375-M402 HydrophobicContact CE-CB 3.97Å; M375-M402 HydrophobicContact CE-CE 3.05Å; M375-M402 HydrophobicContact CE-CG 4.24Å; M375-M402 HydrophobicContact CE-SD 3.37Å; M375-M402 WeakPolarHBondContact CE-SD 3.4Å; M375-M402 HydrophobicContact SD-CB 4.46Å; M375-M402 HydrophobicContact SD-CE 4.43Å; M375-C406 PolarHBondContact SD-SG 3.03Å
376	S	83.8	Confident	81.8	Confident	58 Å²	58	54.5 Å²	54.5	41%	0.406	30%	0.298	S	S	.	.	H	α-helix	trans	-59	-45.9	175.3	-174.5	0	0	0	0	110.2	D372 E373 S379 Q380	D372-S376 WeakPolarHBondContact O-CB 3.33Å; D372-S376 PolarHBondContact O-N 3.21Å; E373-S376 PolarHBondContact O-N 3.24Å; S376-S379 PolarHBondContact O-N 2.98Å; S376-S379 PolarHBondContact O-OG 3.13Å; S376-Q380 VanDerWaalsContact O-CG 3.26Å; S376-Q380 WeakPolarHBondContact O-CG 3.4Å; S376-Q380 PolarHBondContact O-N 2.8Å; S376-Q380 PolarHBondContact OG-NE2 2.82Å
377	L	85	Confident	81.6	Confident	25 Å²	25	54 Å²	54	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-41.4	178.4	-167.7	148.4	0	0	0	112	V358 A361 V362 Y365 E373 M375 S379 T381	V358-L377 HydrophobicContact CB-CD2 4.37Å; V358-L377 HydrophobicContact CG1-CD2 3.3Å; V358-L377 HydrophobicContact CG1-CG 4.41Å; A361-L377 HydrophobicContact CB-CD1 4.13Å; A361-L377 HydrophobicContact CB-CD2 4.05Å; V362-L377 HydrophobicContact CB-CD2 4.49Å; V362-L377 HydrophobicContact CG2-CD2 3.33Å; Y365-L377 HydrophobicContact CD2-CD1 4.2Å; Y365-L377 HydrophobicContact CE2-CD1 3.79Å; E373-L377 VanDerWaalsContact O-CB 3.24Å; E373-L377 WeakPolarHBondContact O-CB 3.34Å; E373-L377 PolarHBondContact O-N 3.44Å; M375-L377 VanDerWaalsContact C-N 3.3Å; M375-L377 PolarHBondContact O-N 3.49Å; L377-S379 PolarHBondContact O-N 3.27Å; L377-T381 WeakPolarHBondContact O-CB 3.46Å; L377-T381 WeakPolarHBondContact O-CG2 3.48Å; L377-T381 PolarHBondContact O-N 3.17Å; L377-T381 PolarHBondContact O-OG1 3.4Å
378	A	83.7	Confident	81.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-36.6	175.9	0	0	0	0	0	112.9	V362 A374 M375 T381 E382 Q383 M387	V362-A378 HydrophobicContact CG1-CB 4.11Å; V362-A378 HydrophobicContact CG2-CB 3.84Å; A374-A378 VanDerWaalsContact O-CB 3.22Å; A374-A378 WeakPolarHBondContact O-CB 3.38Å; A374-A378 PolarHBondContact O-N 2.9Å; M375-A378 PolarHBondContact O-N 3.07Å; A378-T381 PolarHBondContact O-N 3.5Å; A378-T381 PolarHBondContact O-OG1 2.87Å; A378-E382 PolarHBondContact O-N 2.8Å; A378-E382 VanDerWaalsContact O-N 3.09Å; A378-Q383 PolarHBondContact O-N 3.31Å; A378-M387 HydrophobicContact CB-CB 4.43Å; A378-M387 HydrophobicContact CB-CE 3.55Å; A378-M387 HydrophobicContact CB-SD 4.21Å
379	S	81.6	Confident	81	Confident	51 Å²	51	55 Å²	55	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-70.5	-41.1	178.3	65.5	0	0	0	0	112.2	M375 S376 L377 T381	M375-S379 VanDerWaalsContact O-CB 3.3Å; M375-S379 WeakPolarHBondContact O-CB 3.04Å; M375-S379 PolarHBondContact O-N 2.99Å; M375-S379 PolarHBondContact O-OG 2.64Å; M375-S379 VanDerWaalsContact O-OG 3.1Å; S376-S379 PolarHBondContact O-N 2.98Å; S376-S379 PolarHBondContact O-OG 3.13Å; L377-S379 PolarHBondContact O-N 3.27Å; S379-T381 PolarHBondContact O-N 2.83Å
380	Q	82.9	Confident	80.8	Confident	148 Å²	148	53 Å²	53	69%	0.692	28%	0.281	S	S	*	.	H	α-helix	trans	-65.5	-23.5	177.2	-72.5	172.8	24.8	0	0	113.5	S376	S376-Q380 VanDerWaalsContact O-CG 3.26Å; S376-Q380 WeakPolarHBondContact O-CG 3.4Å; S376-Q380 PolarHBondContact O-N 2.8Å; S376-Q380 PolarHBondContact OG-NE2 2.82Å
381	T	81.1	Confident	80.4	Confident	56 Å²	56	50.2 Å²	50.2	34%	0.344	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	6.8	-172.3	58.5	0	0	0	0	113.8	V358 L377 A378 S379 Q383	V358-T381 HydrophobicContact CB-CG2 4.37Å; V358-T381 VanDerWaalsContact CG1-CB 3.48Å; V358-T381 HydrophobicContact CG1-CG2 3.46Å; V358-T381 VanDerWaalsContact CG1-CG2 3.46Å; V358-T381 WeakPolarHBondContact CG1-OG1 3.49Å; V358-T381 HydrophobicContact CG2-CG2 4.09Å; L377-T381 WeakPolarHBondContact O-CB 3.46Å; L377-T381 WeakPolarHBondContact O-CG2 3.48Å; L377-T381 PolarHBondContact O-N 3.17Å; L377-T381 PolarHBondContact O-OG1 3.4Å; A378-T381 PolarHBondContact O-N 3.5Å; A378-T381 PolarHBondContact O-OG1 2.87Å; S379-T381 PolarHBondContact O-N 2.83Å; T381-Q383 PolarHBondContact O-N 2.74Å
382	E	78.1	Confident	80	Confident	124 Å²	124	51.1 Å²	51.1	58%	0.579	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	32.5	177	-60.8	-178.3	177.9	0	0	114.5	A378 F384	A378-E382 PolarHBondContact O-N 2.8Å; A378-E382 VanDerWaalsContact O-N 3.09Å; E382-F384 WeakPolarHBondContact O-CD2 3.46Å; E382-F384 WeakPolarHBondContact O-CE2 3.32Å; E382-F384 PolarHBondContact O-N 2.79Å; E382-F384 VanDerWaalsContact O-N 3.12Å
383	Q	78.6	Confident	79.6	Confident	37 Å²	37	51.5 Å²	51.5	17%	0.173	28%	0.277	C	S	.	.			trans	-85.1	90	-177.1	-69.1	-162.5	-19	0	0	113.1	V358 A378 T381 T385 A386 M387	V358-Q383 VanDerWaalsContact C-OE1 3.31Å; V358-Q383 HydrophobicContact CG1-CG 4.28Å; A378-Q383 PolarHBondContact O-N 3.31Å; T381-Q383 PolarHBondContact O-N 2.74Å; Q383-T385 PolarHBondContact O-N 3.16Å; Q383-A386 HydrophobicContact CB-CB 4.13Å; Q383-M387 WeakPolarHBondContact O-CB 3.3Å; Q383-M387 PolarHBondContact O-N 2.88Å
384	F	77.5	Confident	79.1	Confident	59 Å²	59	47.5 Å²	47.5	26%	0.259	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-41	-178.2	-60.5	-69.4	0	0	0	115	E382 N388 F409 N413 Q415	E382-F384 WeakPolarHBondContact O-CD2 3.46Å; E382-F384 WeakPolarHBondContact O-CE2 3.32Å; E382-F384 PolarHBondContact O-N 2.79Å; E382-F384 VanDerWaalsContact O-N 3.12Å; F384-N388 WeakPolarHBondContact O-CB 3.42Å; F384-N388 VanDerWaalsContact O-CG 3.23Å; F384-N388 PolarHBondContact O-N 2.86Å; F384-N388 PolarHBondContact O-ND2 2.96Å; F384-F409 AromaticContact CD1-CE1 3.83Å; F384-F409 HydrophobicContact CD1-CE1 3.83Å; F384-F409 HydrophobicContact CD1-CZ 4.23Å; F384-F409 AromaticContact CE1-CE1 3.81Å; F384-F409 HydrophobicContact CE1-CE1 3.81Å; F384-F409 AromaticContact CE1-CZ 3.92Å; F384-F409 HydrophobicContact CE1-CZ 3.92Å; F384-N413 HydrophobicContact CE1-CB 3.32Å; F384-N413 VanDerWaalsContact CE1-ND2 3.34Å; F384-N413 WeakPolarHBondContact CE1-ND2 3.45Å; F384-N413 HydrophobicContact CZ-CB 3.62Å; F384-N413 VanDerWaalsContact CZ-CG 3.44Å; F384-Q415 VanDerWaalsContact CD1-NE2 3.33Å
385	T	78.3	Confident	78.1	Confident	106 Å²	106	51.2 Å²	51.2	65%	0.65	28%	0.275	S	S	*	.	H	α-helix	trans	-66.6	-46.5	-176.9	47.6	0	0	0	0	110.6	Q383 N388 L389	Q383-T385 PolarHBondContact O-N 3.16Å; T385-N388 PolarHBondContact O-N 2.83Å; T385-L389 WeakPolarHBondContact O-CG 3.39Å; T385-L389 PolarHBondContact O-N 2.98Å
386	A	76.5	Confident	77.4	Confident	11 Å²	11	58.7 Å²	58.7	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-45.2	176.4	0	0	0	0	0	111.3	V362 Q383 N388 L389 V390	V362-A386 HydrophobicContact CB-CB 3.95Å; V362-A386 HydrophobicContact CG1-CB 3.75Å; V362-A386 HydrophobicContact CG2-CB 4.28Å; Q383-A386 HydrophobicContact CB-CB 4.13Å; A386-N388 VanDerWaalsContact C-N 3.32Å; A386-N388 PolarHBondContact O-N 3.17Å; A386-L389 PolarHBondContact O-N 3.05Å; A386-V390 WeakPolarHBondContact O-CG2 3.37Å; A386-V390 PolarHBondContact O-N 3.09Å; A386-V390 VanDerWaalsContact O-N 3.11Å
387	M	78.9	Confident	76.4	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.02	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-39	177	-170.4	67.3	82.9	0	0	112.6	M375 A378 Q383 L389 V390 A391 F409 F410	M375-M387 HydrophobicContact CB-SD 4.47Å; M375-M387 HydrophobicContact CG-SD 4.12Å; A378-M387 HydrophobicContact CB-CB 4.43Å; A378-M387 HydrophobicContact CB-CE 3.55Å; A378-M387 HydrophobicContact CB-SD 4.21Å; Q383-M387 WeakPolarHBondContact O-CB 3.3Å; Q383-M387 PolarHBondContact O-N 2.88Å; M387-L389 VanDerWaalsContact C-N 3.34Å; M387-L389 PolarHBondContact O-N 3.36Å; M387-V390 PolarHBondContact O-N 3.01Å; M387-A391 VanDerWaalsContact O-CB 3.24Å; M387-A391 WeakPolarHBondContact O-CB 3.37Å; M387-A391 PolarHBondContact O-N 3.29Å; M387-F409 HydrophobicContact CB-CE1 4.26Å; M387-F409 HydrophobicContact CE-CD1 3.99Å; M387-F409 HydrophobicContact CE-CD2 4.46Å; M387-F409 HydrophobicContact CE-CE1 4.22Å; M387-F409 HydrophobicContact CE-CG 4.11Å; M387-F409 HydrophobicContact CG-CD1 3.95Å; M387-F409 HydrophobicContact CG-CE1 4.1Å; M387-F410 HydrophobicContact CB-CZ 4.29Å; M387-F410 HydrophobicContact CG-CE2 4.07Å; M387-F410 HydrophobicContact CG-CZ 3.84Å
388	N	77.7	Confident	75	Confident	33 Å²	33	64 Å²	64	18%	0.176	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-38.5	178.1	-83.3	-55.3	0	0	0	113	F384 T385 A386 S392 F410 K418	F384-N388 WeakPolarHBondContact O-CB 3.42Å; F384-N388 VanDerWaalsContact O-CG 3.23Å; F384-N388 PolarHBondContact O-N 2.86Å; F384-N388 PolarHBondContact O-ND2 2.96Å; T385-N388 PolarHBondContact O-N 2.83Å; A386-N388 VanDerWaalsContact C-N 3.32Å; A386-N388 PolarHBondContact O-N 3.17Å; N388-S392 WeakPolarHBondContact O-CB 3.48Å; N388-S392 PolarHBondContact O-N 3.29Å; N388-S392 PolarHBondContact O-OG 3.12Å; N388-F410 WeakPolarHBondContact OD1-CE1 3.27Å; N388-F410 WeakPolarHBondContact OD1-CZ 3.31Å; N388-K418 PolarHBondContact ND2-NZ 3.12Å; N388-K418 WeakPolarHBondContact OD1-CD 3.35Å; N388-K418 PolarHBondContact OD1-NZ 3.43Å
389	L	79	Confident	74.3	Confident	108 Å²	108	68.8 Å²	68.8	57%	0.565	37%	0.366	S	S	*	.	H	α-helix	trans	-65.8	-48.5	176.2	-68.6	169.9	0	0	0	110.4	T385 A386 M387 A391 S392 E393	T385-L389 WeakPolarHBondContact O-CG 3.39Å; T385-L389 PolarHBondContact O-N 2.98Å; A386-L389 PolarHBondContact O-N 3.05Å; M387-L389 VanDerWaalsContact C-N 3.34Å; M387-L389 PolarHBondContact O-N 3.36Å; L389-A391 VanDerWaalsContact C-N 3.34Å; L389-A391 PolarHBondContact O-N 3.22Å; L389-S392 PolarHBondContact O-N 2.98Å; L389-S392 PolarHBondContact O-OG 3.01Å; L389-E393 PolarHBondContact O-N 2.96Å
390	V	77.8	Confident	73.8	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.012	37%	0.368	C	S	.	.	H	α-helix	trans	-56.6	-48.8	175.9	177.5	0	0	0	0	110.5	V362 H366 A374 M375 A386 M387 S392 E393 L394	V362-V390 HydrophobicContact CG1-CG2 3.96Å; H366-V390 HydrophobicContact CB-CG2 4.09Å; A374-V390 HydrophobicContact CB-CG2 4.46Å; M375-V390 HydrophobicContact CG-CG1 3.85Å; A386-V390 WeakPolarHBondContact O-CG2 3.37Å; A386-V390 PolarHBondContact O-N 3.09Å; A386-V390 VanDerWaalsContact O-N 3.11Å; M387-V390 PolarHBondContact O-N 3.01Å; V390-S392 VanDerWaalsContact C-N 3.35Å; V390-S392 PolarHBondContact O-N 3.44Å; V390-E393 PolarHBondContact O-N 3.36Å; V390-L394 HydrophobicContact CG1-CD1 3.72Å; V390-L394 HydrophobicContact CG1-CG 4.23Å; V390-L394 WeakPolarHBondContact O-CB 3.16Å; V390-L394 VanDerWaalsContact O-CG 3.28Å; V390-L394 WeakPolarHBondContact O-CG 3.48Å; V390-L394 PolarHBondContact O-N 3.34Å
391	A	75.7	Confident	73.3	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.033	37%	0.365	C	S	.	.	H	α-helix	trans	-62.3	-38.2	-179.7	0	0	0	0	0	112.9	M387 L389 E393 L394 K395 F410 L422	M387-A391 VanDerWaalsContact O-CB 3.24Å; M387-A391 WeakPolarHBondContact O-CB 3.37Å; M387-A391 PolarHBondContact O-N 3.29Å; L389-A391 VanDerWaalsContact C-N 3.34Å; L389-A391 PolarHBondContact O-N 3.22Å; A391-E393 VanDerWaalsContact C-N 3.34Å; A391-E393 PolarHBondContact O-N 3.39Å; A391-L394 PolarHBondContact O-N 3.36Å; A391-K395 WeakPolarHBondContact O-CG 3.44Å; A391-K395 PolarHBondContact O-N 3.2Å; A391-F410 HydrophobicContact CB-CE2 4.43Å; A391-L422 HydrophobicContact CB-CD1 4.13Å; A391-L422 HydrophobicContact CB-CD2 4.03Å
392	S	75.7	Confident	73	Confident	56 Å²	56	66.1 Å²	66.1	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-66.8	-32.6	180	69.4	0	0	0	0	113.8	N388 L389 V390 K395	N388-S392 WeakPolarHBondContact O-CB 3.48Å; N388-S392 PolarHBondContact O-N 3.29Å; N388-S392 PolarHBondContact O-OG 3.12Å; L389-S392 PolarHBondContact O-N 2.98Å; L389-S392 PolarHBondContact O-OG 3.01Å; V390-S392 VanDerWaalsContact C-N 3.35Å; V390-S392 PolarHBondContact O-N 3.44Å; S392-K395 WeakPolarHBondContact O-CG 3.37Å
393	E	72.6	Confident	72.9	Confident	101 Å²	101	60.6 Å²	60.6	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-84.6	-33.2	177.2	-67.5	-175.3	-156.5	0	0	111.5	H366 L389 V390 A391 K395 Q396	H366-E393 IonicContact CD2-OE2 3.79Å; H366-E393 IonicContact CE1-OE2 3.61Å; H366-E393 PolarHBondContact CE1-OE2 3.24Å; H366-E393 VanDerWaalsContact CE1-OE2 3.31Å; H366-E393 IonicContact NE2-OE1 3.06Å; H366-E393 IonicContact NE2-OE2 2.84Å; H366-E393 PolarHBondContact NE2-OE2 3.34Å; L389-E393 PolarHBondContact O-N 2.96Å; V390-E393 PolarHBondContact O-N 3.36Å; A391-E393 VanDerWaalsContact C-N 3.34Å; A391-E393 PolarHBondContact O-N 3.39Å; E393-K395 PolarHBondContact O-N 3.4Å; E393-Q396 WeakPolarHBondContact O-CB 3.46Å; E393-Q396 PolarHBondContact O-N 3.22Å
394	L	71.8	Confident	72.9	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-25	171.6	-75.9	173.1	0	0	0	113.1	H371 M375 V390 A391 Q396 Q397 L403	H371-L394 HydrophobicContact CB-CD2 4.01Å; M375-L394 HydrophobicContact SD-CD1 3.66Å; V390-L394 HydrophobicContact CG1-CD1 3.72Å; V390-L394 HydrophobicContact CG1-CG 4.23Å; V390-L394 WeakPolarHBondContact O-CB 3.16Å; V390-L394 VanDerWaalsContact O-CG 3.28Å; V390-L394 WeakPolarHBondContact O-CG 3.48Å; V390-L394 PolarHBondContact O-N 3.34Å; A391-L394 PolarHBondContact O-N 3.36Å; L394-Q396 PolarHBondContact O-N 2.91Å; L394-Q397 CarbonylContact O-C 3.56Å; L394-Q397 VanDerWaalsContact O-C 3.28Å; L394-Q397 PolarHBondContact O-N 3.08Å; L394-L403 HydrophobicContact CB-CD2 4.34Å
395	K	64.5	Low	72.9	Confident	78 Å²	78	63 Å²	63	34%	0.339	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-25.4	172.9	-52.3	-167.9	163.4	-156.4	0	112.7	A391 S392 E393 E425	A391-K395 WeakPolarHBondContact O-CG 3.44Å; A391-K395 PolarHBondContact O-N 3.2Å; S392-K395 WeakPolarHBondContact O-CG 3.37Å; E393-K395 PolarHBondContact O-N 3.4Å; K395-E425 VanDerWaalsContact CD-OE1 3.29Å; K395-E425 WeakPolarHBondContact CD-OE1 3.48Å; K395-E425 WeakPolarHBondContact CD-OE2 3.17Å; K395-E425 VanDerWaalsContact CE-OE1 3.27Å; K395-E425 WeakPolarHBondContact CE-OE1 3.31Å; K395-E425 WeakPolarHBondContact CE-OE2 3.4Å; K395-E425 WeakPolarHBondContact CG-OE2 3.3Å; K395-E425 IonicContact NZ-OE1 2.77Å; K395-E425 PolarHBondContact NZ-OE1 3.18Å; K395-E425 IonicContact NZ-OE2 2.69Å; K395-E425 PolarHBondContact NZ-OE2 3.33Å
396	Q	65.6	Low	72.8	Confident	168 Å²	168	58 Å²	58	79%	0.785	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-24.8	179.7	-56	-178	3	0	0	112.6	E393 L394	E393-Q396 WeakPolarHBondContact O-CB 3.46Å; E393-Q396 PolarHBondContact O-N 3.22Å; L394-Q396 PolarHBondContact O-N 2.91Å
397	Q	61.7	Low	72.9	Confident	113 Å²	113	57.5 Å²	57.5	53%	0.528	30%	0.302	S	S	.	.	S	Bend	trans	-111.6	85.7	-178.6	-67.6	-177.7	-11.2	0	0	108.6	H371 L394 D399	H371-Q397 PolarHBondContact NE2-OE1 3.35Å; L394-Q397 CarbonylContact O-C 3.56Å; L394-Q397 VanDerWaalsContact O-C 3.28Å; L394-Q397 PolarHBondContact O-N 3.08Å; Q397-D399 PolarHBondContact O-N 2.83Å
398	A	56.5	Low	73	Confident	80 Å²	80	61 Å²	61	66%	0.661	32%	0.318	S	S	*	.			trans	-72.7	73.6	-161.7	0	0	0	0	0	114.6	P400	A398-P400 WeakPolarHBondContact O-CD 3.31Å
399	D	67.6	Low	73.1	Confident	101 Å²	101	60 Å²	60	54%	0.54	31%	0.313	S	S	.	.			trans	-97.3	103.6	164.8	-78.2	-21.5	0	0	0	110.6	Q397 M401 M402 L403	Q397-D399 PolarHBondContact O-N 2.83Å; D399-M401 PolarHBondContact O-N 2.71Å; D399-M401 VanDerWaalsContact O-N 3.11Å; D399-M402 HydrophobicContact CB-CB 4.12Å; D399-M402 HydrophobicContact CB-CG 3.61Å; D399-M402 WeakPolarHBondContact O-CB 3.43Å; D399-M402 PolarHBondContact O-N 3.49Å; D399-L403 PolarHBondContact O-N 2.89Å
400	P	71.3	Confident	73.2	Confident	62 Å²	62	54.9 Å²	54.9	40%	0.403	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-26.8	-174.9	-24.3	34.8	0	0	0	113.9	A398 D404	A398-P400 WeakPolarHBondContact O-CD 3.31Å; P400-D404 WeakPolarHBondContact O-CB 3.5Å; P400-D404 PolarHBondContact O-N 3.48Å
401	M	73.8	Confident	73.3	Confident	125 Å²	125	56 Å²	56	62%	0.616	29%	0.292	S	S	*	.	H	α-helix	trans	-71.4	-31.5	177.7	-65.7	-171.7	73.2	0	0	112.7	D399 K405	D399-M401 PolarHBondContact O-N 2.71Å; D399-M401 VanDerWaalsContact O-N 3.11Å; M401-K405 WeakPolarHBondContact O-CG 3.34Å; M401-K405 PolarHBondContact O-N 3.11Å
402	M	74.3	Confident	73.5	Confident	13 Å²	13	63 Å²	63	6%	0.064	32%	0.324	C	S	.	.	H	α-helix	trans	-76.6	-40.4	-178.6	-58.9	-65.9	-93.5	0	0	110.5	H371 D372 M375 D399 K405 C406	H371-M402 HydrophobicContact CB-CE 4.1Å; D372-M402 HydrophobicContact CB-CE 4.17Å; D372-M402 WeakPolarHBondContact OD1-CE 3.42Å; M375-M402 HydrophobicContact CE-CB 3.97Å; M375-M402 HydrophobicContact CE-CE 3.05Å; M375-M402 HydrophobicContact CE-CG 4.24Å; M375-M402 HydrophobicContact CE-SD 3.37Å; M375-M402 WeakPolarHBondContact CE-SD 3.4Å; M375-M402 HydrophobicContact SD-CB 4.46Å; M375-M402 HydrophobicContact SD-CE 4.43Å; D399-M402 HydrophobicContact CB-CB 4.12Å; D399-M402 HydrophobicContact CB-CG 3.61Å; D399-M402 WeakPolarHBondContact O-CB 3.43Å; D399-M402 PolarHBondContact O-N 3.49Å; M402-K405 PolarHBondContact O-N 3.17Å; M402-C406 PolarHBondContact O-N 2.97Å; M402-C406 PolarHBondContact O-SG 3.46Å
403	L	76.7	Confident	73.6	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-38.9	173.9	-66.6	173.3	0	0	0	112.3	L394 D399 C406 A407 L422 A426	L394-L403 HydrophobicContact CB-CD2 4.34Å; D399-L403 PolarHBondContact O-N 2.89Å; L403-C406 WeakPolarHBondContact O-CB 3.41Å; L403-C406 PolarHBondContact O-N 3.38Å; L403-A407 WeakPolarHBondContact O-CB 3.45Å; L403-A407 PolarHBondContact O-N 3.37Å; L403-L422 HydrophobicContact CD2-CD2 3.87Å; L403-A426 HydrophobicContact CB-CB 3.79Å; L403-A426 HydrophobicContact CD1-CB 4.16Å
404	D	77.2	Confident	73.8	Confident	34 Å²	34	65.1 Å²	65.1	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-46.1	175.9	-174	24.8	0	0	0	111.8	P400 C406 A407 Q408 R428	P400-D404 WeakPolarHBondContact O-CB 3.5Å; P400-D404 PolarHBondContact O-N 3.48Å; D404-C406 VanDerWaalsContact C-N 3.34Å; D404-C406 PolarHBondContact O-N 3Å; D404-A407 PolarHBondContact O-N 3.04Å; D404-Q408 WeakPolarHBondContact O-CG 3.17Å; D404-Q408 PolarHBondContact O-N 3.2Å; D404-Q408 PolarHBondContact OD1-NE2 3.16Å; D404-Q408 VanDerWaalsContact OD1-NE2 3.1Å; D404-R428 IonicContact OD2-NH1 3.29Å; D404-R428 PolarHBondContact OD2-NH1 3.3Å
405	K	77.4	Confident	74.1	Confident	112 Å²	112	67.6 Å²	67.6	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-42.7	172.8	-71.2	175.7	-176.4	173.9	0	112.1	M401 M402 F409	M401-K405 WeakPolarHBondContact O-CG 3.34Å; M401-K405 PolarHBondContact O-N 3.11Å; M402-K405 PolarHBondContact O-N 3.17Å; K405-F409 PolarHBondContact O-N 3.05Å; K405-F409 VanDerWaalsContact O-N 3.13Å
406	C	77.7	Confident	74.6	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-45.7	175.4	-70.6	0	0	0	0	111.5	M375 M402 L403 D404 F409 F410 L422	M375-C406 PolarHBondContact SD-SG 3.03Å; M402-C406 PolarHBondContact O-N 2.97Å; M402-C406 PolarHBondContact O-SG 3.46Å; L403-C406 WeakPolarHBondContact O-CB 3.41Å; L403-C406 PolarHBondContact O-N 3.38Å; D404-C406 VanDerWaalsContact C-N 3.34Å; D404-C406 PolarHBondContact O-N 3Å; C406-F409 WeakPolarHBondContact O-CB 3.4Å; C406-F409 PolarHBondContact O-N 3.18Å; C406-F410 WeakPolarHBondContact O-CD2 3.22Å; C406-F410 PolarHBondContact O-N 2.8Å; C406-L422 HydrophobicContact CB-CD1 3.94Å
407	A	77.7	Confident	75	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-46.7	179.2	0	0	0	0	0	111.9	L403 D404 F409 F410 L411 L422 L423	L403-A407 WeakPolarHBondContact O-CB 3.45Å; L403-A407 PolarHBondContact O-N 3.37Å; D404-A407 PolarHBondContact O-N 3.04Å; A407-F409 VanDerWaalsContact C-N 3.27Å; A407-F409 PolarHBondContact O-N 3.24Å; A407-F410 PolarHBondContact O-N 2.85Å; A407-F410 VanDerWaalsContact O-N 3.1Å; A407-L411 WeakPolarHBondContact O-CG 3.48Å; A407-L411 PolarHBondContact O-N 3.01Å; A407-L422 HydrophobicContact CB-CB 4.3Å; A407-L423 HydrophobicContact CB-CD1 4.29Å; A407-L423 HydrophobicContact CB-CD2 3.53Å; A407-L423 HydrophobicContact CB-CG 3.54Å
408	Q	80.1	Confident	75.5	Confident	76 Å²	76	60 Å²	60	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-58.3	-40	176.5	-71.3	172.8	21.5	0	0	111.9	D404 L411 Q412	D404-Q408 WeakPolarHBondContact O-CG 3.17Å; D404-Q408 PolarHBondContact O-N 3.2Å; D404-Q408 PolarHBondContact OD1-NE2 3.16Å; D404-Q408 VanDerWaalsContact OD1-NE2 3.1Å; Q408-L411 PolarHBondContact O-N 2.89Å; Q408-Q412 WeakPolarHBondContact O-CG 3.36Å; Q408-Q412 PolarHBondContact O-N 2.84Å
409	F	79.7	Confident	76.4	Confident	13 Å²	13	56.2 Å²	56.2	6%	0.057	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-43.3	174.7	175.5	-96	0	0	0	112.5	F384 M387 K405 C406 A407 L411 N413	F384-F409 AromaticContact CD1-CE1 3.83Å; F384-F409 HydrophobicContact CD1-CE1 3.83Å; F384-F409 HydrophobicContact CD1-CZ 4.23Å; F384-F409 AromaticContact CE1-CE1 3.81Å; F384-F409 HydrophobicContact CE1-CE1 3.81Å; F384-F409 AromaticContact CE1-CZ 3.92Å; F384-F409 HydrophobicContact CE1-CZ 3.92Å; M387-F409 HydrophobicContact CB-CE1 4.26Å; M387-F409 HydrophobicContact CE-CD1 3.99Å; M387-F409 HydrophobicContact CE-CD2 4.46Å; M387-F409 HydrophobicContact CE-CE1 4.22Å; M387-F409 HydrophobicContact CE-CG 4.11Å; M387-F409 HydrophobicContact CG-CD1 3.95Å; M387-F409 HydrophobicContact CG-CE1 4.1Å; K405-F409 PolarHBondContact O-N 3.05Å; K405-F409 VanDerWaalsContact O-N 3.13Å; C406-F409 WeakPolarHBondContact O-CB 3.4Å; C406-F409 PolarHBondContact O-N 3.18Å; A407-F409 VanDerWaalsContact C-N 3.27Å; A407-F409 PolarHBondContact O-N 3.24Å; F409-L411 VanDerWaalsContact C-N 3.35Å; F409-N413 VanDerWaalsContact CE2-ND2 3.27Å; F409-N413 WeakPolarHBondContact CE2-ND2 3.44Å; F409-N413 VanDerWaalsContact CZ-ND2 3.28Å; F409-N413 WeakPolarHBondContact CZ-ND2 3.32Å; F409-N413 PolarHBondContact O-N 2.87Å; F409-N413 PolarHBondContact O-ND2 2.79Å
410	F	81.3	Confident	76.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.5	-33.1	176	-72.6	-65.5	0	0	0	112.6	M387 N388 A391 C406 A407 N413 K414 Q415 K418 A419 L422	M387-F410 HydrophobicContact CB-CZ 4.29Å; M387-F410 HydrophobicContact CG-CE2 4.07Å; M387-F410 HydrophobicContact CG-CZ 3.84Å; N388-F410 WeakPolarHBondContact OD1-CE1 3.27Å; N388-F410 WeakPolarHBondContact OD1-CZ 3.31Å; A391-F410 HydrophobicContact CB-CE2 4.43Å; C406-F410 WeakPolarHBondContact O-CD2 3.22Å; C406-F410 PolarHBondContact O-N 2.8Å; A407-F410 PolarHBondContact O-N 2.85Å; A407-F410 VanDerWaalsContact O-N 3.1Å; F410-N413 CarbonylContact O-C 3.54Å; F410-N413 PolarHBondContact O-N 2.84Å; F410-K414 PolarHBondContact O-N 3.23Å; F410-Q415 HydrophobicContact CB-CB 4.33Å; F410-Q415 HydrophobicContact CD1-CB 3.94Å; F410-Q415 PolarHBondContact O-N 3.19Å; F410-K418 HydrophobicContact CG-CB 4.5Å; F410-A419 HydrophobicContact CB-CB 3.68Å; F410-L422 HydrophobicContact CD2-CD1 3.48Å; F410-L422 VanDerWaalsContact CD2-CD1 3.48Å; F410-L422 HydrophobicContact CE2-CD1 3.47Å; F410-L422 VanDerWaalsContact CE2-CD1 3.47Å
411	L	79.5	Confident	76.9	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.141	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-47.6	174.5	-73.1	175.7	0	0	0	112.1	A407 Q408 F409 N413 K414 Y416 A419 L423 E434 I438	A407-L411 WeakPolarHBondContact O-CG 3.48Å; A407-L411 PolarHBondContact O-N 3.01Å; Q408-L411 PolarHBondContact O-N 2.89Å; F409-L411 VanDerWaalsContact C-N 3.35Å; L411-N413 PolarHBondContact O-N 2.8Å; L411-K414 PolarHBondContact O-N 3.15Å; L411-K414 VanDerWaalsContact O-N 3.14Å; L411-Y416 HydrophobicContact CD2-CD1 4.23Å; L411-A419 HydrophobicContact CD2-CB 3.75Å; L411-A419 HydrophobicContact CG-CB 3.83Å; L411-L423 HydrophobicContact CD1-CD1 4.41Å; L411-E434 HydrophobicContact CD1-CB 4.07Å; L411-E434 HydrophobicContact CD1-CG 4.01Å; L411-E434 WeakPolarHBondContact CD1-OE2 3.15Å; L411-I438 HydrophobicContact CD2-CD1 3.65Å; L411-I438 HydrophobicContact CD2-CG1 4.29Å
412	Q	81.6	Confident	77	Confident	150 Å²	150	46.5 Å²	46.5	70%	0.701	22%	0.221	S	C	*	.	H	α-helix	trans	-58	-35	177.4	-73.5	174.6	3.4	0	0	111.6	Q408	Q408-Q412 WeakPolarHBondContact O-CG 3.36Å; Q408-Q412 PolarHBondContact O-N 2.84Å
413	N	76.9	Confident	77	Confident	44 Å²	44	46.1 Å²	46.1	24%	0.235	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	14.8	-178.3	-69.7	-47.6	0	0	0	114.9	F384 F409 F410 L411 Q415	F384-N413 HydrophobicContact CE1-CB 3.32Å; F384-N413 VanDerWaalsContact CE1-ND2 3.34Å; F384-N413 WeakPolarHBondContact CE1-ND2 3.45Å; F384-N413 HydrophobicContact CZ-CB 3.62Å; F384-N413 VanDerWaalsContact CZ-CG 3.44Å; F409-N413 VanDerWaalsContact CE2-ND2 3.27Å; F409-N413 WeakPolarHBondContact CE2-ND2 3.44Å; F409-N413 VanDerWaalsContact CZ-ND2 3.28Å; F409-N413 WeakPolarHBondContact CZ-ND2 3.32Å; F409-N413 PolarHBondContact O-N 2.87Å; F409-N413 PolarHBondContact O-ND2 2.79Å; F410-N413 CarbonylContact O-C 3.54Å; F410-N413 PolarHBondContact O-N 2.84Å; L411-N413 PolarHBondContact O-N 2.8Å; N413-Q415 PolarHBondContact O-N 2.78Å; N413-Q415 VanDerWaalsContact O-N 3.09Å
414	K	76.8	Confident	76.7	Confident	157 Å²	157	47 Å²	47	68%	0.683	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	16.7	177.3	-50.7	179.8	-179.7	176.8	0	114.9	F410 L411 Y416	F410-K414 PolarHBondContact O-N 3.23Å; L411-K414 PolarHBondContact O-N 3.15Å; L411-K414 VanDerWaalsContact O-N 3.14Å; K414-Y416 VanDerWaalsContact C-N 3.29Å; K414-Y416 HydrophobicContact CB-CE2 3.91Å; K414-Y416 WeakPolarHBondContact O-CD2 3.29Å; K414-Y416 WeakPolarHBondContact O-CE2 3.38Å; K414-Y416 PolarHBondContact O-N 2.78Å; K414-Y416 VanDerWaalsContact O-N 3.14Å
415	Q	77.4	Confident	76.4	Confident	57 Å²	57	49.4 Å²	49.4	27%	0.266	24%	0.238	S	C	.	.			trans	-89	71	174.4	-71.2	-170.4	12.1	0	0	110	F384 F410 N413 S417 A419	F384-Q415 VanDerWaalsContact CD1-NE2 3.33Å; F410-Q415 HydrophobicContact CB-CB 4.33Å; F410-Q415 HydrophobicContact CD1-CB 3.94Å; F410-Q415 PolarHBondContact O-N 3.19Å; N413-Q415 PolarHBondContact O-N 2.78Å; N413-Q415 VanDerWaalsContact O-N 3.09Å; Q415-S417 PolarHBondContact O-N 3.45Å; Q415-A419 PolarHBondContact O-N 3.33Å
416	Y	75.8	Confident	76	Confident	57 Å²	57	44.4 Å²	44.4	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-43.8	-168.8	-56	-65.6	0	0	0	113.5	L411 K414 K418 A419 V420 I438 P439 M444	L411-Y416 HydrophobicContact CD2-CD1 4.23Å; K414-Y416 VanDerWaalsContact C-N 3.29Å; K414-Y416 HydrophobicContact CB-CE2 3.91Å; K414-Y416 WeakPolarHBondContact O-CD2 3.29Å; K414-Y416 WeakPolarHBondContact O-CE2 3.38Å; K414-Y416 PolarHBondContact O-N 2.78Å; K414-Y416 VanDerWaalsContact O-N 3.14Å; Y416-K418 VanDerWaalsContact C-N 3.32Å; Y416-K418 PolarHBondContact O-N 2.86Å; Y416-A419 WeakPolarHBondContact O-CB 3.33Å; Y416-A419 PolarHBondContact O-N 2.97Å; Y416-A419 VanDerWaalsContact O-N 3.11Å; Y416-V420 PolarHBondContact O-N 3.01Å; Y416-I438 VanDerWaalsContact CB-CG2 3.48Å; Y416-I438 HydrophobicContact CD1-CB 4.09Å; Y416-I438 HydrophobicContact CD1-CD1 4.27Å; Y416-I438 HydrophobicContact CD1-CG1 3.58Å; Y416-I438 HydrophobicContact CD1-CG2 3.86Å; Y416-I438 HydrophobicContact CD2-CG2 4.48Å; Y416-I438 HydrophobicContact CE1-CG1 4Å; Y416-I438 HydrophobicContact CG-CB 4.37Å; Y416-I438 HydrophobicContact CG-CG1 4.32Å; Y416-I438 HydrophobicContact CG-CG2 3.69Å; Y416-P439 VanDerWaalsContact CD2-CD 3.45Å; Y416-P439 HydrophobicContact CD2-CG 3.6Å; Y416-P439 VanDerWaalsContact CE2-CD 3.43Å; Y416-P439 HydrophobicContact CE2-CG 3.77Å; Y416-P439 HydrophobicContact CG-CG 4.47Å; Y416-M444 WeakPolarHBondContact O-CE 3.34Å
417	S	73.9	Confident	75.4	Confident	66 Å²	66	52.5 Å²	52.5	46%	0.462	25%	0.253	S	S	.	.	H	α-helix	trans	-45.7	-54.2	-177.9	50	0	0	0	0	112.4	Q415 E421	Q415-S417 PolarHBondContact O-N 3.45Å; S417-E421 WeakPolarHBondContact O-CG 3.39Å; S417-E421 PolarHBondContact O-N 3.24Å
418	K	72.6	Confident	74.6	Confident	76 Å²	76	57.3 Å²	57.3	33%	0.33	27%	0.271	S	S	.	.	H	α-helix	trans	-75.4	-35.1	-177.5	-60	-167.7	-177.2	-174.8	0	113	N388 F410 Y416 V420 E421 L422	N388-K418 PolarHBondContact ND2-NZ 3.12Å; N388-K418 WeakPolarHBondContact OD1-CD 3.35Å; N388-K418 PolarHBondContact OD1-NZ 3.43Å; F410-K418 HydrophobicContact CG-CB 4.5Å; Y416-K418 VanDerWaalsContact C-N 3.32Å; Y416-K418 PolarHBondContact O-N 2.86Å; K418-V420 VanDerWaalsContact C-N 3.28Å; K418-V420 PolarHBondContact O-N 3.4Å; K418-E421 PolarHBondContact O-N 3.48Å; K418-L422 WeakPolarHBondContact O-CG 3.19Å; K418-L422 PolarHBondContact O-N 3.11Å
419	A	75.6	Confident	73.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-46.5	175.4	0	0	0	0	0	111	F410 L411 Q415 Y416 L422 L423	F410-A419 HydrophobicContact CB-CB 3.68Å; L411-A419 HydrophobicContact CD2-CB 3.75Å; L411-A419 HydrophobicContact CG-CB 3.83Å; Q415-A419 PolarHBondContact O-N 3.33Å; Y416-A419 WeakPolarHBondContact O-CB 3.33Å; Y416-A419 PolarHBondContact O-N 2.97Å; Y416-A419 VanDerWaalsContact O-N 3.11Å; A419-L422 PolarHBondContact O-N 3.16Å; A419-L423 VanDerWaalsContact O-CG 3.3Å; A419-L423 WeakPolarHBondContact O-CG 3.45Å; A419-L423 PolarHBondContact O-N 3.21Å
420	V	73.7	Confident	72.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-68	-40.7	178.8	162.3	0	0	0	0	112.3	Y416 K418 L422 L423 A424 I438 M444 L447 M448	Y416-V420 PolarHBondContact O-N 3.01Å; K418-V420 VanDerWaalsContact C-N 3.28Å; K418-V420 PolarHBondContact O-N 3.4Å; V420-L422 PolarHBondContact O-N 3.38Å; V420-L423 PolarHBondContact O-N 3.47Å; V420-A424 VanDerWaalsContact O-CB 3.27Å; V420-A424 WeakPolarHBondContact O-CB 3.42Å; V420-A424 PolarHBondContact O-N 2.99Å; V420-I438 HydrophobicContact CG2-CD1 4.27Å; V420-M444 HydrophobicContact CB-CE 3.5Å; V420-M444 VanDerWaalsContact CB-CE 3.5Å; V420-M444 HydrophobicContact CB-CG 4.09Å; V420-M444 HydrophobicContact CB-SD 3.26Å; V420-M444 WeakPolarHBondContact CB-SD 3.44Å; V420-M444 HydrophobicContact CG1-CE 4.12Å; V420-M444 HydrophobicContact CG1-CG 3.75Å; V420-M444 HydrophobicContact CG1-SD 3.2Å; V420-M444 WeakPolarHBondContact CG1-SD 3.26Å; V420-M444 HydrophobicContact CG2-CE 3.38Å; V420-M444 HydrophobicContact CG2-CG 3.96Å; V420-M444 HydrophobicContact CG2-SD 3.65Å; V420-L447 HydrophobicContact CG1-CB 4.27Å; V420-M448 HydrophobicContact CB-CG 4.49Å; V420-M448 HydrophobicContact CB-SD 4.21Å; V420-M448 HydrophobicContact CG1-CG 3.41Å; V420-M448 VanDerWaalsContact CG1-CG 3.41Å; V420-M448 HydrophobicContact CG1-SD 3.45Å; V420-M448 WeakPolarHBondContact CG1-SD 3.23Å; V420-M448 HydrophobicContact CG2-CG 4.37Å; V420-M448 HydrophobicContact CG2-SD 4.14Å
421	E	74.9	Confident	70.9	Confident	78 Å²	78	62.6 Å²	62.6	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-55.9	-43.5	173.9	-73.8	174.1	-166.2	0	0	111.2	S417 K418 E425 L447	S417-E421 WeakPolarHBondContact O-CG 3.39Å; S417-E421 PolarHBondContact O-N 3.24Å; K418-E421 PolarHBondContact O-N 3.48Å; E421-E425 WeakPolarHBondContact O-CG 3.46Å; E421-E425 PolarHBondContact O-N 3.38Å; E421-E425 VanDerWaalsContact O-N 3.1Å; E421-L447 HydrophobicContact CG-CD1 4.2Å
422	L	75.7	Confident	69.4	Low	5 Å²	5	63.4 Å²	63.4	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-70.6	-39	178.5	-67.1	168.1	0	0	0	112.9	A391 L403 C406 A407 F410 K418 A419 V420 A424 E425 A426	A391-L422 HydrophobicContact CB-CD1 4.13Å; A391-L422 HydrophobicContact CB-CD2 4.03Å; L403-L422 HydrophobicContact CD2-CD2 3.87Å; C406-L422 HydrophobicContact CB-CD1 3.94Å; A407-L422 HydrophobicContact CB-CB 4.3Å; F410-L422 HydrophobicContact CD2-CD1 3.48Å; F410-L422 VanDerWaalsContact CD2-CD1 3.48Å; F410-L422 HydrophobicContact CE2-CD1 3.47Å; F410-L422 VanDerWaalsContact CE2-CD1 3.47Å; K418-L422 WeakPolarHBondContact O-CG 3.19Å; K418-L422 PolarHBondContact O-N 3.11Å; A419-L422 PolarHBondContact O-N 3.16Å; V420-L422 PolarHBondContact O-N 3.38Å; L422-A424 VanDerWaalsContact C-N 3.34Å; L422-E425 PolarHBondContact O-N 3.38Å; L422-A426 VanDerWaalsContact O-CB 3.3Å; L422-A426 WeakPolarHBondContact O-CB 3.34Å; L422-A426 PolarHBondContact O-N 2.84Å
423	L	74.6	Confident	67.9	Low	5 Å²	5	59.7 Å²	59.7	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-38.4	175.3	-72.6	169.6	0	0	0	112.2	A407 L411 A419 V420 A426 K427 R428	A407-L423 HydrophobicContact CB-CD1 4.29Å; A407-L423 HydrophobicContact CB-CD2 3.53Å; A407-L423 HydrophobicContact CB-CG 3.54Å; L411-L423 HydrophobicContact CD1-CD1 4.41Å; A419-L423 VanDerWaalsContact O-CG 3.3Å; A419-L423 WeakPolarHBondContact O-CG 3.45Å; A419-L423 PolarHBondContact O-N 3.21Å; V420-L423 PolarHBondContact O-N 3.47Å; L423-A426 PolarHBondContact O-N 3.48Å; L423-K427 PolarHBondContact O-N 3.38Å; L423-R428 PolarHBondContact O-N 3.3Å
424	A	71.5	Confident	66.9	Low	27 Å²	27	60.3 Å²	60.3	22%	0.223	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-42.9	175.8	0	0	0	0	0	110.9	V420 L422 K427	V420-A424 VanDerWaalsContact O-CB 3.27Å; V420-A424 WeakPolarHBondContact O-CB 3.42Å; V420-A424 PolarHBondContact O-N 2.99Å; L422-A424 VanDerWaalsContact C-N 3.34Å; A424-K427 PolarHBondContact O-N 2.9Å
425	E	70.9	Confident	65.9	Low	84 Å²	84	53.4 Å²	53.4	39%	0.393	28%	0.283	S	S	.	.	H	α-helix	trans	-68.4	-37.5	175.6	-73.7	168.5	-171.2	0	0	112.7	K395 E421 L422 K427	K395-E425 VanDerWaalsContact CD-OE1 3.29Å; K395-E425 WeakPolarHBondContact CD-OE1 3.48Å; K395-E425 WeakPolarHBondContact CD-OE2 3.17Å; K395-E425 VanDerWaalsContact CE-OE1 3.27Å; K395-E425 WeakPolarHBondContact CE-OE1 3.31Å; K395-E425 WeakPolarHBondContact CE-OE2 3.4Å; K395-E425 WeakPolarHBondContact CG-OE2 3.3Å; K395-E425 IonicContact NZ-OE1 2.77Å; K395-E425 PolarHBondContact NZ-OE1 3.18Å; K395-E425 IonicContact NZ-OE2 2.69Å; K395-E425 PolarHBondContact NZ-OE2 3.33Å; E421-E425 WeakPolarHBondContact O-CG 3.46Å; E421-E425 PolarHBondContact O-N 3.38Å; E421-E425 VanDerWaalsContact O-N 3.1Å; L422-E425 PolarHBondContact O-N 3.38Å; E425-K427 PolarHBondContact O-N 3.39Å; E425-K427 VanDerWaalsContact O-N 3.11Å
426	A	67.2	Low	64.9	Low	7 Å²	7	53.9 Å²	53.9	6%	0.058	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-5	176.1	0	0	0	0	0	113.8	L403 L422 L423 R428	L403-A426 HydrophobicContact CB-CB 3.79Å; L403-A426 HydrophobicContact CD1-CB 4.16Å; L422-A426 VanDerWaalsContact O-CB 3.3Å; L422-A426 WeakPolarHBondContact O-CB 3.34Å; L422-A426 PolarHBondContact O-N 2.84Å; L423-A426 PolarHBondContact O-N 3.48Å; A426-R428 HydrophobicContact CB-CB 4.43Å; A426-R428 PolarHBondContact O-N 2.89Å
427	K	65.1	Low	64.1	Low	173 Å²	173	57.5 Å²	57.5	75%	0.752	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	19	-172.5	-60.5	-177.4	179.2	-179.9	0	113.9	L423 A424 E425	L423-K427 PolarHBondContact O-N 3.38Å; A424-K427 PolarHBondContact O-N 2.9Å; E425-K427 PolarHBondContact O-N 3.39Å; E425-K427 VanDerWaalsContact O-N 3.11Å
428	R	60.8	Low	63.7	Low	101 Å²	101	54.5 Å²	54.5	38%	0.381	29%	0.289	S	S	.	.			trans	-106.3	52.1	-178.6	-76.2	-173.1	170.5	175.1	1	111.1	D404 L423 A426 N430	D404-R428 IonicContact OD2-NH1 3.29Å; D404-R428 PolarHBondContact OD2-NH1 3.3Å; L423-R428 PolarHBondContact O-N 3.3Å; A426-R428 HydrophobicContact CB-CB 4.43Å; A426-R428 PolarHBondContact O-N 2.89Å; R428-N430 PolarHBondContact O-N 3.43Å
429	V	57.4	Low	63.3	Low	18 Å²	18	54.6 Å²	54.6	11%	0.109	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.6	176.3	-171.9	0	0	0	0	111.9	S431 M448	V429-S431 PolarHBondContact O-N 2.88Å; V429-S431 VanDerWaalsContact O-N 3.17Å; V429-M448 HydrophobicContact CG1-CB 4.31Å; V429-M448 HydrophobicContact CG1-CE 3.57Å; V429-M448 WeakPolarHBondContact CG1-O 3.16Å; V429-M448 HydrophobicContact CG1-SD 3.78Å; V429-M448 HydrophobicContact CG2-SD 4.31Å
430	N	54.5	Low	62.8	Low	118 Å²	118	54.9 Å²	54.9	63%	0.631	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.8	-170.2	-63.4	-13.4	0	0	0	114.6	R428 S432	R428-N430 PolarHBondContact O-N 3.43Å; N430-S432 PolarHBondContact O-N 3.22Å
431	S	52.8	Low	62.4	Low	64 Å²	64	60.4 Å²	60.4	45%	0.448	33%	0.329	S	S	.	.			trans	-90.2	82.6	179.9	-60	0	0	0	0	111.2	V429 A433 E434	V429-S431 PolarHBondContact O-N 2.88Å; V429-S431 VanDerWaalsContact O-N 3.17Å; S431-A433 PolarHBondContact O-N 3.05Å; S431-E434 PolarHBondContact O-N 3.41Å
432	S	48	Very low	61.9	Low	44 Å²	44	61.1 Å²	61.1	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-54.2	-23	178.4	65.3	0	0	0	0	115.4	N430 N436 E464	N430-S432 PolarHBondContact O-N 3.22Å; S432-N436 PolarHBondContact O-ND2 3.2Å; S432-E464 WeakPolarHBondContact CB-OE2 3.38Å
433	A	49.6	Very low	61.5	Low	72 Å²	72	69 Å²	69	60%	0.595	37%	0.366	S	S	*	.	H	α-helix	trans	-69.8	-33.1	-177.6	0	0	0	0	0	113.3	S431	S431-A433 PolarHBondContact O-N 3.05Å
434	E	55.6	Low	61	Low	56 Å²	56	69.3 Å²	69.3	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-77.7	-33.2	-175.6	-65.5	179.8	167.4	0	0	111.4	L411 S431 N436 I438	L411-E434 HydrophobicContact CD1-CB 4.07Å; L411-E434 HydrophobicContact CD1-CG 4.01Å; L411-E434 WeakPolarHBondContact CD1-OE2 3.15Å; S431-E434 PolarHBondContact O-N 3.41Å; E434-N436 VanDerWaalsContact C-N 3.33Å; E434-N436 PolarHBondContact O-N 3.05Å; E434-I438 WeakPolarHBondContact O-CD1 3.24Å; E434-I438 VanDerWaalsContact O-CG1 3.28Å; E434-I438 WeakPolarHBondContact O-CG1 3.47Å
435	V	56.6	Low	60.6	Low	13 Å²	13	68.1 Å²	68.1	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-64.8	-34.9	-176.7	-176.6	0	0	0	0	112.7	N437 I438 M448 L465	V435-N437 PolarHBondContact O-N 2.85Å; V435-N437 VanDerWaalsContact O-N 3.16Å; V435-I438 PolarHBondContact O-N 2.95Å; V435-M448 HydrophobicContact CG2-CE 3.56Å; V435-L465 HydrophobicContact CG1-CD2 3.47Å; V435-L465 VanDerWaalsContact CG1-CD2 3.47Å; V435-L465 HydrophobicContact CG1-CG 4.39Å
436	N	55.7	Low	60.6	Low	67 Å²	67	68.2 Å²	68.2	36%	0.358	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19	-172.6	-84	-64.2	0	0	0	114.3	S432 E434 S468	S432-N436 PolarHBondContact O-ND2 3.2Å; E434-N436 VanDerWaalsContact C-N 3.33Å; E434-N436 PolarHBondContact O-N 3.05Å; N436-S468 PolarHBondContact OD1-OG 3.14Å; N436-S468 VanDerWaalsContact OD1-OG 3.11Å
437	N	60	Low	60.4	Low	132 Å²	132	71.6 Å²	71.6	71%	0.706	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	5.9	-177.5	-69.4	-31.3	0	0	0	113.9	V435	V435-N437 PolarHBondContact O-N 2.85Å; V435-N437 VanDerWaalsContact O-N 3.16Å
438	I	64.7	Low	60.2	Low	4 Å²	4	63.6 Å²	63.6	2%	0.021	34%	0.343	C	S	.	.	S	Bend	trans	-101.4	123.7	-172.9	-63	174.9	0	0	0	110.1	L411 Y416 V420 E434 V435 L440 M444 Q472	L411-I438 HydrophobicContact CD2-CD1 3.65Å; L411-I438 HydrophobicContact CD2-CG1 4.29Å; Y416-I438 VanDerWaalsContact CB-CG2 3.48Å; Y416-I438 HydrophobicContact CD1-CB 4.09Å; Y416-I438 HydrophobicContact CD1-CD1 4.27Å; Y416-I438 HydrophobicContact CD1-CG1 3.58Å; Y416-I438 HydrophobicContact CD1-CG2 3.86Å; Y416-I438 HydrophobicContact CD2-CG2 4.48Å; Y416-I438 HydrophobicContact CE1-CG1 4Å; Y416-I438 HydrophobicContact CG-CB 4.37Å; Y416-I438 HydrophobicContact CG-CG1 4.32Å; Y416-I438 HydrophobicContact CG-CG2 3.69Å; V420-I438 HydrophobicContact CG2-CD1 4.27Å; E434-I438 WeakPolarHBondContact O-CD1 3.24Å; E434-I438 VanDerWaalsContact O-CG1 3.28Å; E434-I438 WeakPolarHBondContact O-CG1 3.47Å; V435-I438 PolarHBondContact O-N 2.95Å; I438-L440 PolarHBondContact O-N 2.91Å; I438-M444 HydrophobicContact CG2-CE 4.37Å; I438-Q472 PolarHBondContact O-NE2 2.89Å
439	P	63.8	Low	60.5	Low	78 Å²	78	60.2 Å²	60.2	51%	0.506	33%	0.334	S	S	.	.			trans	-61.6	103	166.1	26.7	-32.6	0	0	0	108.9	Y416	Y416-P439 VanDerWaalsContact CD2-CD 3.45Å; Y416-P439 HydrophobicContact CD2-CG 3.6Å; Y416-P439 VanDerWaalsContact CE2-CD 3.43Å; Y416-P439 HydrophobicContact CE2-CG 3.77Å; Y416-P439 HydrophobicContact CG-CG 4.47Å
440	L	65.1	Low	60.7	Low	5 Å²	5	60.7 Å²	60.7	3%	0.026	34%	0.337	C	S	.	.			trans	-75.4	142.9	-178.7	-73	147	0	0	0	108.8	I438 M444 Q472 L474	I438-L440 PolarHBondContact O-N 2.91Å; L440-M444 HydrophobicContact CD2-CB 4.16Å; L440-M444 HydrophobicContact CD2-CG 3.86Å; L440-Q472 VanDerWaalsContact CB-OE1 3.32Å; L440-L474 HydrophobicContact CB-CD1 4.34Å; L440-L474 WeakPolarHBondContact O-CD1 3.5Å
441	N	65.3	Low	61	Low	118 Å²	118	59 Å²	59	63%	0.631	33%	0.334	S	S	*	.			trans	-109.5	161.3	163.2	-81	-25.8	0	0	0	108.7	K443 M444 A445	N441-K443 PolarHBondContact O-N 2.76Å; N441-M444 HydrophobicContact CB-CB 4.41Å; N441-M444 WeakPolarHBondContact O-CA 3.49Å; N441-M444 WeakPolarHBondContact O-CB 3.15Å; N441-M444 PolarHBondContact O-N 3.11Å; N441-A445 PolarHBondContact O-N 2.77Å; N441-A445 VanDerWaalsContact O-N 3.09Å
442	E	65.7	Low	61.5	Low	93 Å²	93	65.2 Å²	65.2	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-49.9	-46.1	178.5	-89.3	-171.6	169.2	0	0	112.9	M444 A445 D446 S476 C477	E442-M444 VanDerWaalsContact C-N 3.26Å; E442-M444 PolarHBondContact O-N 2.73Å; E442-A445 PolarHBondContact O-N 3.47Å; E442-D446 PolarHBondContact O-N 2.6Å; E442-S476 PolarHBondContact OE1-OG 3.33Å; E442-C477 WeakPolarHBondContact CG-SG 3.31Å
443	K	66.4	Low	61.7	Low	170 Å²	170	70.8 Å²	70.8	74%	0.739	37%	0.374	S	S	*	.	H	α-helix	trans	-60.6	-37.2	177.5	-61.7	-176.6	179.5	-178.1	0	112.3	N441 D446 L447	N441-K443 PolarHBondContact O-N 2.76Å; K443-D446 PolarHBondContact O-N 2.7Å; K443-L447 WeakPolarHBondContact O-CD1 3.34Å; K443-L447 WeakPolarHBondContact O-CG 3.36Å; K443-L447 PolarHBondContact O-N 3.38Å
444	M	64.2	Low	62	Low	12 Å²	12	72.9 Å²	72.9	6%	0.059	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-45.1	-179.9	-159.6	71.1	124.7	0	0	112.3	Y416 V420 I438 L440 N441 E442 D446 L447 M448	Y416-M444 WeakPolarHBondContact O-CE 3.34Å; V420-M444 HydrophobicContact CB-CE 3.5Å; V420-M444 VanDerWaalsContact CB-CE 3.5Å; V420-M444 HydrophobicContact CB-CG 4.09Å; V420-M444 HydrophobicContact CB-SD 3.26Å; V420-M444 WeakPolarHBondContact CB-SD 3.44Å; V420-M444 HydrophobicContact CG1-CE 4.12Å; V420-M444 HydrophobicContact CG1-CG 3.75Å; V420-M444 HydrophobicContact CG1-SD 3.2Å; V420-M444 WeakPolarHBondContact CG1-SD 3.26Å; V420-M444 HydrophobicContact CG2-CE 3.38Å; V420-M444 HydrophobicContact CG2-CG 3.96Å; V420-M444 HydrophobicContact CG2-SD 3.65Å; I438-M444 HydrophobicContact CG2-CE 4.37Å; L440-M444 HydrophobicContact CD2-CB 4.16Å; L440-M444 HydrophobicContact CD2-CG 3.86Å; N441-M444 HydrophobicContact CB-CB 4.41Å; N441-M444 WeakPolarHBondContact O-CA 3.49Å; N441-M444 WeakPolarHBondContact O-CB 3.15Å; N441-M444 PolarHBondContact O-N 3.11Å; E442-M444 VanDerWaalsContact C-N 3.26Å; E442-M444 PolarHBondContact O-N 2.73Å; M444-D446 PolarHBondContact O-N 2.83Å; M444-L447 PolarHBondContact O-N 3.13Å; M444-M448 VanDerWaalsContact O-CG 3.32Å; M444-M448 WeakPolarHBondContact O-CG 3.34Å; M444-M448 PolarHBondContact O-N 2.95Å
445	A	63.7	Low	62.3	Low	1 Å²	1	74.5 Å²	74.5	1%	0.008	39%	0.393	C	S	.	.	H	α-helix	trans	-66.4	-33.3	-178.7	0	0	0	0	0	110.8	N441 E442 T449 K481	N441-A445 PolarHBondContact O-N 2.77Å; N441-A445 VanDerWaalsContact O-N 3.09Å; E442-A445 PolarHBondContact O-N 3.47Å; A445-T449 PolarHBondContact O-OG1 2.65Å; A445-K481 VanDerWaalsContact C-NZ 3.29Å; A445-K481 WeakPolarHBondContact O-CE 3.23Å; A445-K481 PolarHBondContact O-NZ 2.72Å
446	D	69.5	Low	62.9	Low	86 Å²	86	82 Å²	82	46%	0.46	43%	0.425	S	S	.	.	H	α-helix	trans	-72.5	-41.6	175.1	-69.5	-19.7	0	0	0	112.2	E442 K443 M444 M448 T449 K481	E442-D446 PolarHBondContact O-N 2.6Å; K443-D446 PolarHBondContact O-N 2.7Å; M444-D446 PolarHBondContact O-N 2.83Å; D446-M448 VanDerWaalsContact C-N 3.32Å; D446-M448 PolarHBondContact O-N 3.48Å; D446-T449 WeakPolarHBondContact O-CB 3.3Å; D446-T449 PolarHBondContact O-N 3.44Å; D446-T449 PolarHBondContact O-OG1 3.12Å; D446-K481 IonicContact OD1-NZ 2.68Å; D446-K481 PolarHBondContact OD1-NZ 3.35Å
447	L	64.8	Low	63.6	Low	79 Å²	79	84 Å²	84	41%	0.414	44%	0.435	S	S	.	.	H	α-helix	trans	-60.3	-38.8	173.8	-79.6	154.2	0	0	0	112.8	V420 E421 K443 M444 T449	V420-L447 HydrophobicContact CG1-CB 4.27Å; E421-L447 HydrophobicContact CG-CD1 4.2Å; K443-L447 WeakPolarHBondContact O-CD1 3.34Å; K443-L447 WeakPolarHBondContact O-CG 3.36Å; K443-L447 PolarHBondContact O-N 3.38Å; M444-L447 PolarHBondContact O-N 3.13Å; L447-T449 PolarHBondContact O-N 2.89Å
448	M	59.9	Low	64.2	Low	4 Å²	4	80 Å²	80	2%	0.02	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.1	179.3	-68.9	-66.5	-87.5	0	0	114	V420 V429 V435 M444 D446 P450 L465	V420-M448 HydrophobicContact CB-CG 4.49Å; V420-M448 HydrophobicContact CB-SD 4.21Å; V420-M448 HydrophobicContact CG1-CG 3.41Å; V420-M448 VanDerWaalsContact CG1-CG 3.41Å; V420-M448 HydrophobicContact CG1-SD 3.45Å; V420-M448 WeakPolarHBondContact CG1-SD 3.23Å; V420-M448 HydrophobicContact CG2-CG 4.37Å; V420-M448 HydrophobicContact CG2-SD 4.14Å; V429-M448 HydrophobicContact CG1-CB 4.31Å; V429-M448 HydrophobicContact CG1-CE 3.57Å; V429-M448 WeakPolarHBondContact CG1-O 3.16Å; V429-M448 HydrophobicContact CG1-SD 3.78Å; V429-M448 HydrophobicContact CG2-SD 4.31Å; V435-M448 HydrophobicContact CG2-CE 3.56Å; M444-M448 VanDerWaalsContact O-CG 3.32Å; M444-M448 WeakPolarHBondContact O-CG 3.34Å; M444-M448 PolarHBondContact O-N 2.95Å; D446-M448 VanDerWaalsContact C-N 3.32Å; D446-M448 PolarHBondContact O-N 3.48Å; M448-P450 VanDerWaalsContact O-CD 3.25Å; M448-P450 WeakPolarHBondContact O-CD 3.44Å; M448-L465 HydrophobicContact CB-CD1 4.21Å; M448-L465 HydrophobicContact CB-CD2 4.05Å
449	T	66.8	Low	64.9	Low	31 Å²	31	82.4 Å²	82.4	19%	0.19	42%	0.423	C	S	.	.	S	Bend	trans	-80.3	114.3	-179.7	-52.7	0	0	0	0	109.4	A445 D446 L447 I462 K481	A445-T449 PolarHBondContact O-OG1 2.65Å; D446-T449 WeakPolarHBondContact O-CB 3.3Å; D446-T449 PolarHBondContact O-N 3.44Å; D446-T449 PolarHBondContact O-OG1 3.12Å; L447-T449 PolarHBondContact O-N 2.89Å; T449-I462 HydrophobicContact CG2-CD1 4.23Å; T449-K481 PolarHBondContact OG1-NZ 3.2Å
450	P	62.1	Low	65.8	Low	27 Å²	27	84.1 Å²	84.1	18%	0.175	42%	0.424	C	S	.	.			trans	-60	155.6	-174	-21	31.9	0	0	0	112.8	M448 R458	M448-P450 VanDerWaalsContact O-CD 3.25Å; M448-P450 WeakPolarHBondContact O-CD 3.44Å; P450-R458 PolarHBondContact O-NH1 2.83Å; P450-R458 PolarHBondContact O-NH2 3.04Å
451	S	60.1	Low	66.3	Low	83 Å²	83	85.1 Å²	85.1	58%	0.58	43%	0.429	S	S	*	.			trans	-67.8	166.6	170.4	68.4	0	0	0	0	111.4	E453 R458	S451-E453 PolarHBondContact O-N 2.95Å; S451-R458 PolarHBondContact O-NH1 3.3Å
452	K	63.2	Low	67.1	Low	194 Å²	194	79.5 Å²	79.5	84%	0.843	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	13.6	-162.7	-71.5	-177	179	176.8	0	116.6	R458	K452-R458 VanDerWaalsContact CA-NH1 3.3Å
453	E	52.2	Low	68.1	Low	161 Å²	161	77.8 Å²	77.8	75%	0.752	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-9.4	-159.7	-65.4	-173	167.2	0	0	116.9	S451	S451-E453 PolarHBondContact O-N 2.95Å
454	D	57	Low	68.8	Low	116 Å²	116	73.3 Å²	73.3	62%	0.62	37%	0.373	S	S	*	.			trans	-142.5	107.7	170.1	-80.1	-50.9	0	0	0	112.9	K456 R458	D454-K456 PolarHBondContact O-N 3.43Å; D454-R458 WeakPolarHBondContact O-CB 3.49Å; D454-R458 PolarHBondContact O-N 3.24Å
455	S	62.5	Low	69.6	Low	90 Å²	90	73 Å²	73	63%	0.629	37%	0.372	S	S	*	.	H	α-helix	trans	-68.5	-35.6	-166.3	-174.9	0	0	0	0	115.3	N459	S455-N459 PolarHBondContact O-N 3.26Å; S455-N459 PolarHBondContact O-ND2 3.18Å; S455-N459 PolarHBondContact O-OD1 3.33Å
456	K	68.7	Low	70.5	Confident	172 Å²	172	73 Å²	73	75%	0.748	37%	0.371	S	S	*	.	H	α-helix	trans	-82.4	-56	-172.9	-69.1	-175.8	-179.4	178.7	0	113.1	D454 R458 N459 E460	D454-K456 PolarHBondContact O-N 3.43Å; K456-R458 PolarHBondContact O-N 3.44Å; K456-N459 PolarHBondContact O-N 3Å; K456-E460 PolarHBondContact O-N 3.22Å
457	L	70	Confident	71.4	Confident	108 Å²	108	71.3 Å²	71.3	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-59.6	-35.3	177.8	-66.3	172.1	0	0	0	111.4	N459 E460 L461	L457-N459 VanDerWaalsContact C-N 3.34Å; L457-N459 PolarHBondContact O-N 2.75Å; L457-E460 PolarHBondContact O-N 2.8Å; L457-L461 WeakPolarHBondContact O-CB 3.5Å; L457-L461 VanDerWaalsContact O-CG 3.29Å; L457-L461 WeakPolarHBondContact O-CG 3.33Å; L457-L461 PolarHBondContact O-N 3.07Å
458	R	72.7	Confident	72.2	Confident	49 Å²	49	67.7 Å²	67.7	19%	0.185	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-43.7	172.6	175	-174.3	176	116.4	13.3	112.6	P450 S451 K452 D454 K456 L461 I462	P450-R458 PolarHBondContact O-NH1 2.83Å; P450-R458 PolarHBondContact O-NH2 3.04Å; S451-R458 PolarHBondContact O-NH1 3.3Å; K452-R458 VanDerWaalsContact CA-NH1 3.3Å; D454-R458 WeakPolarHBondContact O-CB 3.49Å; D454-R458 PolarHBondContact O-N 3.24Å; K456-R458 PolarHBondContact O-N 3.44Å; R458-L461 PolarHBondContact O-N 3.25Å; R458-I462 HydrophobicContact CG-CD1 3.55Å; R458-I462 HydrophobicContact CG-CG1 4.28Å; R458-I462 WeakPolarHBondContact O-CB 3.33Å; R458-I462 WeakPolarHBondContact O-CG1 3.47Å; R458-I462 PolarHBondContact O-N 3.1Å
459	N	79.7	Confident	73.4	Confident	54 Å²	54	67.5 Å²	67.5	29%	0.289	34%	0.342	S	S	.	.	H	α-helix	trans	-69.1	-38.9	-177	-68.2	-19.3	0	0	0	111.2	S455 K456 L457 I462 E463	S455-N459 PolarHBondContact O-N 3.26Å; S455-N459 PolarHBondContact O-ND2 3.18Å; S455-N459 PolarHBondContact O-OD1 3.33Å; K456-N459 PolarHBondContact O-N 3Å; L457-N459 VanDerWaalsContact C-N 3.34Å; L457-N459 PolarHBondContact O-N 2.75Å; N459-I462 PolarHBondContact O-N 3.33Å; N459-E463 VanDerWaalsContact O-CB 3.31Å; N459-E463 WeakPolarHBondContact O-CB 3.21Å; N459-E463 PolarHBondContact O-N 2.85Å
460	E	81.3	Confident	74.4	Confident	114 Å²	114	69.6 Å²	69.6	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-48.5	174.7	-68.6	171.5	-174.4	0	0	111	K456 L457 I462 E463 E464	K456-E460 PolarHBondContact O-N 3.22Å; L457-E460 PolarHBondContact O-N 2.8Å; E460-I462 PolarHBondContact O-N 2.91Å; E460-E463 WeakPolarHBondContact O-CB 3.5Å; E460-E463 PolarHBondContact O-N 3.22Å; E460-E463 VanDerWaalsContact O-N 3.15Å; E460-E464 WeakPolarHBondContact O-CG 3.43Å; E460-E464 PolarHBondContact O-N 2.82Å
461	L	76.4	Confident	75.5	Confident	25 Å²	25	76 Å²	76	13%	0.131	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-40.7	177	-70.7	169.8	0	0	0	112.7	L457 R458 E463 E464 L465	L457-L461 WeakPolarHBondContact O-CB 3.5Å; L457-L461 VanDerWaalsContact O-CG 3.29Å; L457-L461 WeakPolarHBondContact O-CG 3.33Å; L457-L461 PolarHBondContact O-N 3.07Å; R458-L461 PolarHBondContact O-N 3.25Å; L461-E463 VanDerWaalsContact C-N 3.32Å; L461-E464 PolarHBondContact O-N 3.47Å; L461-L465 WeakPolarHBondContact O-CB 3.29Å; L461-L465 WeakPolarHBondContact O-CG 3.47Å; L461-L465 PolarHBondContact O-N 3.47Å
462	I	82.7	Confident	76.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-68.5	-34.3	176.5	-66.5	170.7	0	0	0	110.8	T449 R458 N459 E460 L465 G466 K481 Q484 A485	T449-I462 HydrophobicContact CG2-CD1 4.23Å; R458-I462 HydrophobicContact CG-CD1 3.55Å; R458-I462 HydrophobicContact CG-CG1 4.28Å; R458-I462 WeakPolarHBondContact O-CB 3.33Å; R458-I462 WeakPolarHBondContact O-CG1 3.47Å; R458-I462 PolarHBondContact O-N 3.1Å; N459-I462 PolarHBondContact O-N 3.33Å; E460-I462 PolarHBondContact O-N 2.91Å; I462-L465 PolarHBondContact O-N 3.39Å; I462-G466 PolarHBondContact O-N 2.78Å; I462-K481 HydrophobicContact CG2-CB 3.93Å; I462-K481 HydrophobicContact CG2-CD 4.47Å; I462-K481 WeakPolarHBondContact CG2-O 3.5Å; I462-Q484 HydrophobicContact CD1-CB 4.39Å; I462-Q484 HydrophobicContact CG2-CB 4.07Å; I462-A485 HydrophobicContact CB-CB 4.03Å; I462-A485 HydrophobicContact CG2-CB 3.78Å
463	E	85.8	Confident	77.6	Confident	57 Å²	57	67.6 Å²	67.6	27%	0.266	34%	0.339	S	S	.	.	H	α-helix	trans	-64.9	-44.8	174.1	-177.3	171.6	-175	0	0	111.3	N459 E460 L461 G466 D467 A485 V487 K490	N459-E463 VanDerWaalsContact O-CB 3.31Å; N459-E463 WeakPolarHBondContact O-CB 3.21Å; N459-E463 PolarHBondContact O-N 2.85Å; E460-E463 WeakPolarHBondContact O-CB 3.5Å; E460-E463 PolarHBondContact O-N 3.22Å; E460-E463 VanDerWaalsContact O-N 3.15Å; L461-E463 VanDerWaalsContact C-N 3.32Å; E463-G466 CarbonylContact O-C 3.57Å; E463-G466 WeakPolarHBondContact O-CA 3.37Å; E463-G466 PolarHBondContact O-N 2.98Å; E463-G466 VanDerWaalsContact O-N 3.12Å; E463-D467 PolarHBondContact O-N 3.33Å; E463-A485 HydrophobicContact CB-CB 4.3Å; E463-V487 HydrophobicContact CG-CG2 4.24Å; E463-K490 VanDerWaalsContact OE1-CE 3.23Å; E463-K490 WeakPolarHBondContact OE1-CE 3.39Å; E463-K490 IonicContact OE1-NZ 2.83Å; E463-K490 PolarHBondContact OE1-NZ 3.05Å
464	E	82	Confident	79.2	Confident	76 Å²	76	62.2 Å²	62.2	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-39.5	175	-70.4	178.6	160.8	0	0	112.5	S432 E460 L461 G466 D467 S468	S432-E464 WeakPolarHBondContact CB-OE2 3.38Å; E460-E464 WeakPolarHBondContact O-CG 3.43Å; E460-E464 PolarHBondContact O-N 2.82Å; L461-E464 PolarHBondContact O-N 3.47Å; E464-G466 VanDerWaalsContact C-N 3.3Å; E464-G466 PolarHBondContact O-N 3.36Å; E464-D467 PolarHBondContact O-N 2.85Å; E464-S468 WeakPolarHBondContact O-CB 3.5Å; E464-S468 PolarHBondContact O-N 3.14Å; E464-S468 PolarHBondContact O-OG 3.27Å
465	L	79.8	Confident	80.7	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-41.9	170.6	-81.1	164.4	0	0	0	111.3	V435 M448 L461 I462 S468 C469	V435-L465 HydrophobicContact CG1-CD2 3.47Å; V435-L465 VanDerWaalsContact CG1-CD2 3.47Å; V435-L465 HydrophobicContact CG1-CG 4.39Å; M448-L465 HydrophobicContact CB-CD1 4.21Å; M448-L465 HydrophobicContact CB-CD2 4.05Å; L461-L465 WeakPolarHBondContact O-CB 3.29Å; L461-L465 WeakPolarHBondContact O-CG 3.47Å; L461-L465 PolarHBondContact O-N 3.47Å; I462-L465 PolarHBondContact O-N 3.39Å; L465-S468 PolarHBondContact O-N 3.06Å; L465-C469 PolarHBondContact O-N 2.85Å; L465-C469 PolarHBondContact O-SG 3.15Å
466	G	84.1	Confident	81.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-45.8	174.9	0	0	0	0	0	112.3	I462 E463 E464 S468 C469 M470 Y482	I462-G466 PolarHBondContact O-N 2.78Å; E463-G466 CarbonylContact O-C 3.57Å; E463-G466 WeakPolarHBondContact O-CA 3.37Å; E463-G466 PolarHBondContact O-N 2.98Å; E463-G466 VanDerWaalsContact O-N 3.12Å; E464-G466 VanDerWaalsContact C-N 3.3Å; E464-G466 PolarHBondContact O-N 3.36Å; G466-S468 VanDerWaalsContact C-N 3.3Å; G466-S468 PolarHBondContact O-N 2.95Å; G466-C469 PolarHBondContact O-N 3.45Å; G466-M470 WeakPolarHBondContact O-CB 3.35Å; G466-M470 PolarHBondContact O-N 3.13Å; G466-Y482 VanDerWaalsContact C-CZ 3.41Å; G466-Y482 VanDerWaalsContact C-OH 3.29Å; G466-Y482 PolarHBondContact O-OH 2.84Å
467	D	86.9	Confident	82.6	Confident	51 Å²	51	49.6 Å²	49.6	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-37.3	177.3	-72.7	-10.8	0	0	0	111.5	E463 E464 M470 K471 Y482 K490	E463-D467 PolarHBondContact O-N 3.33Å; E464-D467 PolarHBondContact O-N 2.85Å; D467-M470 PolarHBondContact O-N 3.42Å; D467-K471 WeakPolarHBondContact O-CG 3.34Å; D467-K471 PolarHBondContact O-N 3.47Å; D467-K471 VanDerWaalsContact O-N 3.14Å; D467-Y482 VanDerWaalsContact CA-OH 3.27Å; D467-Y482 WeakPolarHBondContact CA-OH 3.43Å; D467-Y482 PolarHBondContact N-OH 2.78Å; D467-Y482 VanDerWaalsContact OD1-CE1 3.29Å; D467-Y482 WeakPolarHBondContact OD1-CE1 3.45Å; D467-Y482 PolarHBondContact OD1-OH 3.17Å; D467-K490 VanDerWaalsContact CG-NZ 3.32Å; D467-K490 IonicContact OD1-NZ 2.81Å; D467-K490 PolarHBondContact OD1-NZ 2.87Å; D467-K490 IonicContact OD2-NZ 2.96Å; D467-K490 PolarHBondContact OD2-NZ 3.06Å
468	S	82.8	Confident	83.5	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-46.4	173.2	-60	0	0	0	0	112	N436 E464 L465 G466 M470 K471 Q472	N436-S468 PolarHBondContact OD1-OG 3.14Å; N436-S468 VanDerWaalsContact OD1-OG 3.11Å; E464-S468 WeakPolarHBondContact O-CB 3.5Å; E464-S468 PolarHBondContact O-N 3.14Å; E464-S468 PolarHBondContact O-OG 3.27Å; L465-S468 PolarHBondContact O-N 3.06Å; G466-S468 VanDerWaalsContact C-N 3.3Å; G466-S468 PolarHBondContact O-N 2.95Å; S468-M470 VanDerWaalsContact C-N 3.26Å; S468-M470 PolarHBondContact O-N 2.94Å; S468-K471 PolarHBondContact O-N 2.87Å; S468-Q472 WeakPolarHBondContact O-CG 2.84Å; S468-Q472 PolarHBondContact O-N 3.03Å
469	C	84.7	Confident	84.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-37.3	176	-67.6	0	0	0	0	111.9	L465 G466 Q472 G473 L474 A478	L465-C469 PolarHBondContact O-N 2.85Å; L465-C469 PolarHBondContact O-SG 3.15Å; G466-C469 PolarHBondContact O-N 3.45Å; C469-Q472 PolarHBondContact O-N 3.16Å; C469-G473 PolarHBondContact O-N 3.29Å; C469-L474 HydrophobicContact CB-CB 4.37Å; C469-L474 PolarHBondContact O-N 3.3Å; C469-A478 HydrophobicContact CB-CB 3.73Å
470	M	86.8	Confident	84.6	Confident	75 Å²	75	44.5 Å²	44.5	37%	0.369	22%	0.219	S	C	.	.	H	α-helix	trans	-66.6	-40.5	179.7	-165.1	-100.2	-152.8	0	0	111.9	G466 D467 S468 Q472 G473 A478 I497	G466-M470 WeakPolarHBondContact O-CB 3.35Å; G466-M470 PolarHBondContact O-N 3.13Å; D467-M470 PolarHBondContact O-N 3.42Å; S468-M470 VanDerWaalsContact C-N 3.26Å; S468-M470 PolarHBondContact O-N 2.94Å; M470-Q472 VanDerWaalsContact C-N 3.26Å; M470-Q472 PolarHBondContact O-N 2.9Å; M470-G473 PolarHBondContact O-N 2.97Å; M470-A478 HydrophobicContact CB-CB 4.31Å; M470-I497 HydrophobicContact CE-CD1 4.46Å
471	K	86	Confident	84.9	Confident	161 Å²	161	39.1 Å²	39.1	70%	0.7	19%	0.194	S	C	*	.	H	α-helix	trans	-64.3	-30	173.8	-70.9	172.4	-175.6	172	0	113	D467 S468	D467-K471 WeakPolarHBondContact O-CG 3.34Å; D467-K471 PolarHBondContact O-N 3.47Å; D467-K471 VanDerWaalsContact O-N 3.14Å; S468-K471 PolarHBondContact O-N 2.87Å
472	Q	83.3	Confident	85.6	Confident	68 Å²	68	38.1 Å²	38.1	32%	0.318	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.2	-177.4	-66.2	175.6	19.2	0	0	114.1	I438 L440 S468 C469 M470 L474	I438-Q472 PolarHBondContact O-NE2 2.89Å; L440-Q472 VanDerWaalsContact CB-OE1 3.32Å; S468-Q472 WeakPolarHBondContact O-CG 2.84Å; S468-Q472 PolarHBondContact O-N 3.03Å; C469-Q472 PolarHBondContact O-N 3.16Å; M470-Q472 VanDerWaalsContact C-N 3.26Å; M470-Q472 PolarHBondContact O-N 2.9Å; Q472-L474 VanDerWaalsContact C-N 3.35Å; Q472-L474 HydrophobicContact CB-CD1 4.48Å
473	G	84.1	Confident	85.9	Confident	33 Å²	33	42 Å²	42	34%	0.34	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	9.5	-178.7	0	0	0	0	0	114.8	C469 M470 Y475	C469-G473 PolarHBondContact O-N 3.29Å; M470-G473 PolarHBondContact O-N 2.97Å; G473-Y475 VanDerWaalsContact O-CD2 3.31Å; G473-Y475 WeakPolarHBondContact O-CD2 3.45Å; G473-Y475 WeakPolarHBondContact O-CE2 3.48Å; G473-Y475 PolarHBondContact O-N 2.84Å; G473-Y475 VanDerWaalsContact O-N 3.17Å
474	L	85	Confident	85.9	Confident	49 Å²	49	43.6 Å²	43.6	26%	0.257	22%	0.216	S	C	.	.			trans	-90.4	69.5	-179.6	-68.3	171	0	0	0	111.3	L440 C469 Q472 S476 C477 A478	L440-L474 HydrophobicContact CB-CD1 4.34Å; L440-L474 WeakPolarHBondContact O-CD1 3.5Å; C469-L474 HydrophobicContact CB-CB 4.37Å; C469-L474 PolarHBondContact O-N 3.3Å; Q472-L474 VanDerWaalsContact C-N 3.35Å; Q472-L474 HydrophobicContact CB-CD1 4.48Å; L474-S476 PolarHBondContact O-N 3.4Å; L474-C477 HydrophobicContact CB-CB 4.35Å; L474-C477 PolarHBondContact O-N 3.13Å; L474-A478 WeakPolarHBondContact O-CB 3.35Å; L474-A478 PolarHBondContact O-N 3.2Å
475	Y	89	Confident	86	Confident	77 Å²	77	40.4 Å²	40.4	30%	0.302	20%	0.203	S	C	.	.	H	α-helix	trans	-67.7	-34.8	-171	-52.6	-61.4	0	0	0	114	G473 C477 A479 I497	G473-Y475 VanDerWaalsContact O-CD2 3.31Å; G473-Y475 WeakPolarHBondContact O-CD2 3.45Å; G473-Y475 WeakPolarHBondContact O-CE2 3.48Å; G473-Y475 PolarHBondContact O-N 2.84Å; G473-Y475 VanDerWaalsContact O-N 3.17Å; Y475-C477 PolarHBondContact O-N 2.95Å; Y475-A479 WeakPolarHBondContact O-CB 3.31Å; Y475-A479 PolarHBondContact O-N 2.92Å; Y475-I497 HydrophobicContact CD1-CB 4.03Å; Y475-I497 HydrophobicContact CD1-CD1 4.46Å; Y475-I497 HydrophobicContact CD1-CG2 3.7Å; Y475-I497 HydrophobicContact CD2-CG2 3.74Å; Y475-I497 HydrophobicContact CE1-CB 4.22Å; Y475-I497 HydrophobicContact CE1-CD1 4.29Å; Y475-I497 HydrophobicContact CE1-CG2 3.48Å; Y475-I497 VanDerWaalsContact CE1-CG2 3.48Å; Y475-I497 HydrophobicContact CE2-CG2 3.51Å; Y475-I497 HydrophobicContact CG-CB 4.19Å; Y475-I497 HydrophobicContact CG-CG2 3.82Å
476	S	87.4	Confident	86.3	Confident	31 Å²	31	42 Å²	42	22%	0.217	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-44.9	175.1	59.6	0	0	0	0	111.7	E442 L474 K480	E442-S476 PolarHBondContact OE1-OG 3.33Å; L474-S476 PolarHBondContact O-N 3.4Å; S476-K480 WeakPolarHBondContact O-CG 3.2Å; S476-K480 PolarHBondContact O-N 3.12Å
477	C	85	Confident	86.5	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-71.7	-47.5	-179.9	-33.8	0	0	0	0	110.4	E442 L474 Y475 A479 K480 K481	E442-C477 WeakPolarHBondContact CG-SG 3.31Å; L474-C477 HydrophobicContact CB-CB 4.35Å; L474-C477 PolarHBondContact O-N 3.13Å; Y475-C477 PolarHBondContact O-N 2.95Å; C477-A479 VanDerWaalsContact C-N 3.26Å; C477-A479 PolarHBondContact O-N 3.13Å; C477-K480 WeakPolarHBondContact O-CB 3.41Å; C477-K480 PolarHBondContact O-N 3.09Å; C477-K481 WeakPolarHBondContact O-CG 3.41Å; C477-K481 PolarHBondContact O-N 3.23Å
478	A	87.6	Confident	86.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-54.2	-45.8	177.7	0	0	0	0	0	110.8	C469 M470 L474 K480 K481 Y482 A494	C469-A478 HydrophobicContact CB-CB 3.73Å; M470-A478 HydrophobicContact CB-CB 4.31Å; L474-A478 WeakPolarHBondContact O-CB 3.35Å; L474-A478 PolarHBondContact O-N 3.2Å; A478-K480 PolarHBondContact O-N 2.87Å; A478-K481 PolarHBondContact O-N 3.05Å; A478-Y482 HydrophobicContact CB-CD2 4.32Å; A478-Y482 HydrophobicContact CB-CE2 3.96Å; A478-Y482 WeakPolarHBondContact O-CB 3.4Å; A478-Y482 WeakPolarHBondContact O-CD2 3.4Å; A478-Y482 VanDerWaalsContact O-CG 3.31Å; A478-Y482 PolarHBondContact O-N 2.9Å; A478-A494 HydrophobicContact CB-CB 4.2Å
479	A	88.9	Confident	87	Confident	3 Å²	3	55.1 Å²	55.1	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-49.2	175	0	0	0	0	0	112.3	Y475 C477 K481 Y482 I483 A494 L495	Y475-A479 WeakPolarHBondContact O-CB 3.31Å; Y475-A479 PolarHBondContact O-N 2.92Å; C477-A479 VanDerWaalsContact C-N 3.26Å; C477-A479 PolarHBondContact O-N 3.13Å; A479-K481 VanDerWaalsContact C-N 3.33Å; A479-K481 PolarHBondContact O-N 3.46Å; A479-Y482 PolarHBondContact O-N 3.19Å; A479-I483 WeakPolarHBondContact O-CB 3.44Å; A479-I483 WeakPolarHBondContact O-CD1 3.3Å; A479-I483 WeakPolarHBondContact O-CG1 3.21Å; A479-I483 PolarHBondContact O-N 3.25Å; A479-A494 HydrophobicContact CB-CB 4.1Å; A479-L495 HydrophobicContact CB-CD2 3.55Å; A479-L495 HydrophobicContact CB-CG 3.72Å
480	K	87.4	Confident	87.2	Confident	100 Å²	100	58 Å²	58	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-58.1	-43.5	177	-70.3	172.9	-178.7	174.3	0	111.9	S476 C477 A478 I483 Q484	S476-K480 WeakPolarHBondContact O-CG 3.2Å; S476-K480 PolarHBondContact O-N 3.12Å; C477-K480 WeakPolarHBondContact O-CB 3.41Å; C477-K480 PolarHBondContact O-N 3.09Å; A478-K480 PolarHBondContact O-N 2.87Å; K480-I483 PolarHBondContact O-N 2.89Å; K480-Q484 WeakPolarHBondContact O-CG 3.45Å; K480-Q484 PolarHBondContact O-N 3.24Å
481	K	87.1	Confident	87.5	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-46.3	179.1	-60.1	-54.1	169.1	-169.6	0	111.9	A445 D446 T449 I462 C477 A478 A479 I483 Q484 A485	A445-K481 VanDerWaalsContact C-NZ 3.29Å; A445-K481 WeakPolarHBondContact O-CE 3.23Å; A445-K481 PolarHBondContact O-NZ 2.72Å; D446-K481 IonicContact OD1-NZ 2.68Å; D446-K481 PolarHBondContact OD1-NZ 3.35Å; T449-K481 PolarHBondContact OG1-NZ 3.2Å; I462-K481 HydrophobicContact CG2-CB 3.93Å; I462-K481 HydrophobicContact CG2-CD 4.47Å; I462-K481 WeakPolarHBondContact CG2-O 3.5Å; C477-K481 WeakPolarHBondContact O-CG 3.41Å; C477-K481 PolarHBondContact O-N 3.23Å; A478-K481 PolarHBondContact O-N 3.05Å; A479-K481 VanDerWaalsContact C-N 3.33Å; A479-K481 PolarHBondContact O-N 3.46Å; K481-I483 VanDerWaalsContact C-N 3.26Å; K481-I483 PolarHBondContact O-N 2.84Å; K481-Q484 CarbonylContact O-C 3.59Å; K481-Q484 WeakPolarHBondContact O-CA 3.39Å; K481-Q484 WeakPolarHBondContact O-CB 3.34Å; K481-Q484 PolarHBondContact O-N 3.1Å; K481-A485 PolarHBondContact O-N 2.86Å
482	Y	90.6	Very high	87.7	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-33.7	175.3	-66	-47.5	0	0	0	113.3	G466 D467 A478 A479 G486 V487 K490 A494	G466-Y482 VanDerWaalsContact C-CZ 3.41Å; G466-Y482 VanDerWaalsContact C-OH 3.29Å; G466-Y482 PolarHBondContact O-OH 2.84Å; D467-Y482 VanDerWaalsContact CA-OH 3.27Å; D467-Y482 WeakPolarHBondContact CA-OH 3.43Å; D467-Y482 PolarHBondContact N-OH 2.78Å; D467-Y482 VanDerWaalsContact OD1-CE1 3.29Å; D467-Y482 WeakPolarHBondContact OD1-CE1 3.45Å; D467-Y482 PolarHBondContact OD1-OH 3.17Å; A478-Y482 HydrophobicContact CB-CD2 4.32Å; A478-Y482 HydrophobicContact CB-CE2 3.96Å; A478-Y482 WeakPolarHBondContact O-CB 3.4Å; A478-Y482 WeakPolarHBondContact O-CD2 3.4Å; A478-Y482 VanDerWaalsContact O-CG 3.31Å; A478-Y482 PolarHBondContact O-N 2.9Å; A479-Y482 PolarHBondContact O-N 3.19Å; Y482-G486 PolarHBondContact O-N 3.13Å; Y482-G486 VanDerWaalsContact O-N 3.16Å; Y482-V487 PolarHBondContact O-N 2.81Å; Y482-K490 HydrophobicContact CD1-CB 3.79Å; Y482-K490 HydrophobicContact CD1-CD 4.11Å; Y482-K490 HydrophobicContact CD2-CB 3.92Å; Y482-K490 HydrophobicContact CE1-CB 3.86Å; Y482-K490 HydrophobicContact CE1-CD 3.59Å; Y482-K490 HydrophobicContact CE1-CG 4.38Å; Y482-K490 HydrophobicContact CE2-CB 3.98Å; Y482-K490 HydrophobicContact CG-CB 3.81Å; Y482-A494 HydrophobicContact CD2-CB 4.05Å; Y482-A494 HydrophobicContact CE2-CB 4.13Å
483	I	89.2	Confident	88.1	Confident	81 Å²	81	49.8 Å²	49.8	42%	0.415	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-43.4	172.4	-67.8	165.4	0	0	0	110.2	A479 K480 K481 G486 A491 F507	A479-I483 WeakPolarHBondContact O-CB 3.44Å; A479-I483 WeakPolarHBondContact O-CD1 3.3Å; A479-I483 WeakPolarHBondContact O-CG1 3.21Å; A479-I483 PolarHBondContact O-N 3.25Å; K480-I483 PolarHBondContact O-N 2.89Å; K481-I483 VanDerWaalsContact C-N 3.26Å; K481-I483 PolarHBondContact O-N 2.84Å; I483-G486 PolarHBondContact O-N 3.15Å; I483-A491 HydrophobicContact CG1-CB 3.93Å; I483-F507 HydrophobicContact CD1-CD2 3.9Å; I483-F507 HydrophobicContact CD1-CE2 4.15Å; I483-F507 HydrophobicContact CG1-CD2 3.89Å; I483-F507 HydrophobicContact CG1-CE2 3.6Å; I483-F507 HydrophobicContact CG1-CZ 4.31Å
484	Q	85.9	Confident	88.5	Confident	90 Å²	90	48.3 Å²	48.3	42%	0.421	23%	0.228	S	C	.	.	H	α-helix	trans	-66.6	-37.4	177.1	-71.9	173.5	-1.6	0	0	113	I462 K480 K481 G486	I462-Q484 HydrophobicContact CD1-CB 4.39Å; I462-Q484 HydrophobicContact CG2-CB 4.07Å; K480-Q484 WeakPolarHBondContact O-CG 3.45Å; K480-Q484 PolarHBondContact O-N 3.24Å; K481-Q484 CarbonylContact O-C 3.59Å; K481-Q484 WeakPolarHBondContact O-CA 3.39Å; K481-Q484 WeakPolarHBondContact O-CB 3.34Å; K481-Q484 PolarHBondContact O-N 3.1Å; Q484-G486 VanDerWaalsContact C-N 3.26Å; Q484-G486 PolarHBondContact O-N 2.81Å
485	A	85.4	Confident	88.8	Confident	9 Å²	9	46.3 Å²	46.3	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-73.5	-13.5	175.7	0	0	0	0	0	113.7	I462 E463 K481 V487	I462-A485 HydrophobicContact CB-CB 4.03Å; I462-A485 HydrophobicContact CG2-CB 3.78Å; E463-A485 HydrophobicContact CB-CB 4.3Å; K481-A485 PolarHBondContact O-N 2.86Å; A485-V487 VanDerWaalsContact C-N 3.35Å; A485-V487 HydrophobicContact CB-CG2 4.11Å
486	G	85.6	Confident	88.9	Confident	41 Å²	41	44.4 Å²	44.4	42%	0.423	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	6.2	-176.1	0	0	0	0	0	115	Y482 I483 Q484 R488	Y482-G486 PolarHBondContact O-N 3.13Å; Y482-G486 VanDerWaalsContact O-N 3.16Å; I483-G486 PolarHBondContact O-N 3.15Å; Q484-G486 VanDerWaalsContact C-N 3.26Å; Q484-G486 PolarHBondContact O-N 2.81Å; G486-R488 PolarHBondContact O-N 3.42Å; G486-R488 VanDerWaalsContact O-N 3.07Å
487	V	88.7	Confident	89.1	Confident	36 Å²	36	46.9 Å²	46.9	22%	0.218	22%	0.223	C	C	.	.			trans	-86.5	79.3	-177.5	-169.2	0	0	0	0	110.9	E463 Y482 A485 R489 K490 A491	E463-V487 HydrophobicContact CG-CG2 4.24Å; Y482-V487 PolarHBondContact O-N 2.81Å; A485-V487 VanDerWaalsContact C-N 3.35Å; A485-V487 HydrophobicContact CB-CG2 4.11Å; V487-R489 VanDerWaalsContact C-N 3.34Å; V487-R489 PolarHBondContact O-N 3.39Å; V487-K490 HydrophobicContact CG1-CB 3.85Å; V487-K490 HydrophobicContact CG1-CD 3.91Å; V487-K490 HydrophobicContact CG1-CG 3.74Å; V487-K490 PolarHBondContact O-N 3.21Å; V487-A491 PolarHBondContact O-N 3.25Å
488	R	88.7	Confident	89.2	Confident	140 Å²	140	49.4 Å²	49.4	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-34.4	-169.5	-54.5	178	177.9	84.5	-1.5	114.8	G486 M492 F507 L516	G486-R488 PolarHBondContact O-N 3.42Å; G486-R488 VanDerWaalsContact O-N 3.07Å; R488-M492 PolarHBondContact O-N 2.81Å; R488-F507 HydrophobicContact CB-CZ 4.02Å; R488-F507 HydrophobicContact CG-CZ 4.36Å; R488-L516 HydrophobicContact CB-CD1 3.64Å; R488-L516 HydrophobicContact CG-CD1 4.48Å
489	R	89.9	Confident	89.2	Confident	152 Å²	152	51.1 Å²	51.1	57%	0.574	25%	0.254	S	S	*	.	H	α-helix	trans	-67.8	-43.8	179.9	-76	-167	-88.3	-146.6	5.5	112	V487 M492 K493 E515 L516	V487-R489 VanDerWaalsContact C-N 3.34Å; V487-R489 PolarHBondContact O-N 3.39Å; R489-M492 PolarHBondContact O-N 3.31Å; R489-K493 WeakPolarHBondContact O-CG 3.49Å; R489-K493 PolarHBondContact O-N 3.14Å; R489-K493 VanDerWaalsContact O-N 3.17Å; R489-E515 WeakPolarHBondContact CD-OE2 3.21Å; R489-E515 IonicContact CZ-OE2 3.51Å; R489-E515 IonicContact NE-OE2 3.8Å; R489-E515 IonicContact NH1-OE1 3.32Å; R489-E515 PolarHBondContact NH1-OE1 2.7Å; R489-E515 IonicContact NH1-OE2 2.7Å; R489-E515 PolarHBondContact NH1-OE2 3.49Å; R489-L516 HydrophobicContact CG-CD2 4.29Å
490	K	90.5	Very high	89.1	Confident	61 Å²	61	52.9 Å²	52.9	27%	0.265	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-41.3	175.3	-69.8	-171.3	176.7	180	0	111.3	E463 D467 Y482 V487 M492 K493 A494	E463-K490 VanDerWaalsContact OE1-CE 3.23Å; E463-K490 WeakPolarHBondContact OE1-CE 3.39Å; E463-K490 IonicContact OE1-NZ 2.83Å; E463-K490 PolarHBondContact OE1-NZ 3.05Å; D467-K490 VanDerWaalsContact CG-NZ 3.32Å; D467-K490 IonicContact OD1-NZ 2.81Å; D467-K490 PolarHBondContact OD1-NZ 2.87Å; D467-K490 IonicContact OD2-NZ 2.96Å; D467-K490 PolarHBondContact OD2-NZ 3.06Å; Y482-K490 HydrophobicContact CD1-CB 3.79Å; Y482-K490 HydrophobicContact CD1-CD 4.11Å; Y482-K490 HydrophobicContact CD2-CB 3.92Å; Y482-K490 HydrophobicContact CE1-CB 3.86Å; Y482-K490 HydrophobicContact CE1-CD 3.59Å; Y482-K490 HydrophobicContact CE1-CG 4.38Å; Y482-K490 HydrophobicContact CE2-CB 3.98Å; Y482-K490 HydrophobicContact CG-CB 3.81Å; V487-K490 HydrophobicContact CG1-CB 3.85Å; V487-K490 HydrophobicContact CG1-CD 3.91Å; V487-K490 HydrophobicContact CG1-CG 3.74Å; V487-K490 PolarHBondContact O-N 3.21Å; K490-M492 VanDerWaalsContact C-N 3.34Å; K490-M492 PolarHBondContact O-N 3.14Å; K490-K493 PolarHBondContact O-N 3.18Å; K490-A494 PolarHBondContact O-N 3.48Å
491	A	91.4	Very high	89.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.7	-46.7	173.8	0	0	0	0	0	112.5	I483 V487 K493 A494 L495 F507	I483-A491 HydrophobicContact CG1-CB 3.93Å; V487-A491 PolarHBondContact O-N 3.25Å; A491-K493 PolarHBondContact O-N 3.33Å; A491-A494 PolarHBondContact O-N 3.05Å; A491-L495 WeakPolarHBondContact O-CG 3.21Å; A491-L495 PolarHBondContact O-N 3.45Å; A491-F507 HydrophobicContact CB-CE1 3.94Å; A491-F507 HydrophobicContact CB-CE2 4.33Å; A491-F507 HydrophobicContact CB-CZ 3.65Å
492	M	91.7	Very high	89.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-44.3	177.9	-173.1	60.4	77.6	0	0	112.1	R488 R489 K490 A494 L495 I496 I504 F507 T508 L516 I519 A520	R488-M492 PolarHBondContact O-N 2.81Å; R489-M492 PolarHBondContact O-N 3.31Å; K490-M492 VanDerWaalsContact C-N 3.34Å; K490-M492 PolarHBondContact O-N 3.14Å; M492-A494 PolarHBondContact O-N 3.16Å; M492-L495 PolarHBondContact O-N 3.07Å; M492-I496 HydrophobicContact CG-CD1 3.95Å; M492-I496 WeakPolarHBondContact O-CB 3.45Å; M492-I496 VanDerWaalsContact O-CG1 3.31Å; M492-I496 WeakPolarHBondContact O-CG1 3.38Å; M492-I496 PolarHBondContact O-N 3.49Å; M492-I496 HydrophobicContact SD-CD1 4.42Å; M492-I504 HydrophobicContact SD-CG2 3.96Å; M492-F507 HydrophobicContact CB-CE1 4.21Å; M492-F507 HydrophobicContact CE-CD1 3.62Å; M492-F507 HydrophobicContact CE-CE1 3.96Å; M492-F507 HydrophobicContact SD-CD1 4.27Å; M492-T508 HydrophobicContact CE-CG2 4.38Å; M492-T508 WeakPolarHBondContact CE-OG1 3.34Å; M492-L516 HydrophobicContact CB-CD2 3.84Å; M492-L516 HydrophobicContact CE-CB 3.93Å; M492-L516 HydrophobicContact CE-CD2 4.25Å; M492-L516 HydrophobicContact CE-CG 4.5Å; M492-L516 HydrophobicContact CG-CD2 4.18Å; M492-I519 HydrophobicContact CG-CB 4.48Å; M492-I519 HydrophobicContact CG-CG2 3.74Å; M492-A520 HydrophobicContact CE-CB 4.2Å; M492-A520 HydrophobicContact SD-CB 4.36Å
493	K	91.4	Very high	89.3	Confident	132 Å²	132	60.4 Å²	60.4	57%	0.574	30%	0.296	S	S	*	.	H	α-helix	trans	-59.6	-44.8	176.2	-71.4	180	178.9	-174.2	0	111.7	R489 K490 A491 I496 I497	R489-K493 WeakPolarHBondContact O-CG 3.49Å; R489-K493 PolarHBondContact O-N 3.14Å; R489-K493 VanDerWaalsContact O-N 3.17Å; K490-K493 PolarHBondContact O-N 3.18Å; A491-K493 PolarHBondContact O-N 3.33Å; K493-I496 PolarHBondContact O-N 3.15Å; K493-I497 WeakPolarHBondContact O-CG1 3.33Å; K493-I497 PolarHBondContact O-N 2.96Å; K493-I497 VanDerWaalsContact O-N 3.14Å
494	A	91.7	Very high	89.4	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-41.7	177.7	0	0	0	0	0	112.3	A478 A479 Y482 K490 A491 M492 I497 N498	A478-A494 HydrophobicContact CB-CB 4.2Å; A479-A494 HydrophobicContact CB-CB 4.1Å; Y482-A494 HydrophobicContact CD2-CB 4.05Å; Y482-A494 HydrophobicContact CE2-CB 4.13Å; K490-A494 PolarHBondContact O-N 3.48Å; A491-A494 PolarHBondContact O-N 3.05Å; M492-A494 PolarHBondContact O-N 3.16Å; A494-I497 PolarHBondContact O-N 3.16Å; A494-N498 PolarHBondContact O-N 3.09Å
495	L	91.8	Very high	89.6	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-39.7	176.7	-72.8	172.1	0	0	0	112.8	A479 A491 M492 N498 G499 K503 I504 F507	A479-L495 HydrophobicContact CB-CD2 3.55Å; A479-L495 HydrophobicContact CB-CG 3.72Å; A491-L495 WeakPolarHBondContact O-CG 3.21Å; A491-L495 PolarHBondContact O-N 3.45Å; M492-L495 PolarHBondContact O-N 3.07Å; L495-N498 WeakPolarHBondContact O-CB 3.36Å; L495-N498 PolarHBondContact O-N 2.92Å; L495-G499 PolarHBondContact O-N 3.01Å; L495-K503 HydrophobicContact CD2-CB 4.04Å; L495-I504 HydrophobicContact CB-CG1 3.75Å; L495-F507 HydrophobicContact CD1-CB 3.63Å; L495-F507 HydrophobicContact CD1-CD1 3.63Å; L495-F507 HydrophobicContact CD1-CE1 4.49Å; L495-F507 HydrophobicContact CD1-CG 3.68Å
496	I	91.8	Very high	89.8	Confident	38 Å²	38	58.5 Å²	58.5	20%	0.195	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-46.4	176.1	-76.4	168.3	0	0	0	110.8	M492 K493 N498 G499 I504 I519 Y523	M492-I496 HydrophobicContact CG-CD1 3.95Å; M492-I496 WeakPolarHBondContact O-CB 3.45Å; M492-I496 VanDerWaalsContact O-CG1 3.31Å; M492-I496 WeakPolarHBondContact O-CG1 3.38Å; M492-I496 PolarHBondContact O-N 3.49Å; M492-I496 HydrophobicContact SD-CD1 4.42Å; K493-I496 PolarHBondContact O-N 3.15Å; I496-N498 VanDerWaalsContact C-N 3.27Å; I496-N498 PolarHBondContact O-N 3.37Å; I496-G499 PolarHBondContact O-N 3.11Å; I496-I504 HydrophobicContact CG1-CD1 4.06Å; I496-I519 HydrophobicContact CD1-CG2 3.51Å; I496-Y523 HydrophobicContact CB-CD2 4.37Å; I496-Y523 HydrophobicContact CD1-CG 4.48Å; I496-Y523 HydrophobicContact CG1-CD1 4.25Å; I496-Y523 HydrophobicContact CG1-CD2 4.27Å; I496-Y523 HydrophobicContact CG1-CG 3.95Å; I496-Y523 HydrophobicContact CG2-CD2 3.53Å; I496-Y523 HydrophobicContact CG2-CE2 3.75Å; I496-Y523 HydrophobicContact CG2-CG 4.1Å
497	I	90.6	Very high	90.1	Very high	83 Å²	83	57.8 Å²	57.8	43%	0.426	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-34.2	178.9	-59.7	163.4	0	0	0	110.9	M470 Y475 K493 A494 G499	M470-I497 HydrophobicContact CE-CD1 4.46Å; Y475-I497 HydrophobicContact CD1-CB 4.03Å; Y475-I497 HydrophobicContact CD1-CD1 4.46Å; Y475-I497 HydrophobicContact CD1-CG2 3.7Å; Y475-I497 HydrophobicContact CD2-CG2 3.74Å; Y475-I497 HydrophobicContact CE1-CB 4.22Å; Y475-I497 HydrophobicContact CE1-CD1 4.29Å; Y475-I497 HydrophobicContact CE1-CG2 3.48Å; Y475-I497 VanDerWaalsContact CE1-CG2 3.48Å; Y475-I497 HydrophobicContact CE2-CG2 3.51Å; Y475-I497 HydrophobicContact CG-CB 4.19Å; Y475-I497 HydrophobicContact CG-CG2 3.82Å; K493-I497 WeakPolarHBondContact O-CG1 3.33Å; K493-I497 PolarHBondContact O-N 2.96Å; K493-I497 VanDerWaalsContact O-N 3.14Å; A494-I497 PolarHBondContact O-N 3.16Å; I497-G499 PolarHBondContact O-N 3.37Å
498	N	88.5	Confident	90.2	Very high	57 Å²	57	56.1 Å²	56.1	31%	0.305	26%	0.263	S	S	.	.	H	α-helix	trans	-68.5	-16.6	177.1	-163.9	53.7	0	0	0	114.1	A494 L495 I496 D500	A494-N498 PolarHBondContact O-N 3.09Å; L495-N498 WeakPolarHBondContact O-CB 3.36Å; L495-N498 PolarHBondContact O-N 2.92Å; I496-N498 VanDerWaalsContact C-N 3.27Å; I496-N498 PolarHBondContact O-N 3.37Å; N498-D500 VanDerWaalsContact C-N 3.31Å; N498-D500 PolarHBondContact O-N 3.25Å
499	G	86.1	Confident	90.4	Very high	37 Å²	37	51.8 Å²	51.8	38%	0.381	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-5.7	173.3	0	0	0	0	0	116.8	L495 I496 I497 W501 Y523	L495-G499 PolarHBondContact O-N 3.01Å; I496-G499 PolarHBondContact O-N 3.11Å; I497-G499 PolarHBondContact O-N 3.37Å; G499-W501 PolarHBondContact O-N 3.47Å; G499-Y523 WeakPolarHBondContact CA-OH 3.09Å
500	D	88.3	Confident	90.4	Very high	39 Å²	39	48.3 Å²	48.3	21%	0.209	25%	0.254	C	S	.	.			trans	-85	94.2	-175.2	-171.1	-24.3	0	0	0	111.9	N498 Q502 K503 I504	N498-D500 VanDerWaalsContact C-N 3.31Å; N498-D500 PolarHBondContact O-N 3.25Å; D500-Q502 VanDerWaalsContact C-N 3.27Å; D500-Q502 PolarHBondContact O-N 2.91Å; D500-Q502 PolarHBondContact OD1-N 3.3Å; D500-K503 HydrophobicContact CB-CB 4.23Å; D500-K503 HydrophobicContact CB-CD 4.23Å; D500-K503 HydrophobicContact CB-CG 4.31Å; D500-K503 PolarHBondContact O-N 3.05Å; D500-K503 PolarHBondContact OD1-N 2.86Å; D500-K503 VanDerWaalsContact OD2-CD 3.25Å; D500-K503 WeakPolarHBondContact OD2-CD 3.18Å; D500-K503 VanDerWaalsContact OD2-CE 3.3Å; D500-K503 WeakPolarHBondContact OD2-CE 3.06Å; D500-K503 WeakPolarHBondContact OD2-CG 3.39Å; D500-K503 IonicContact OD2-NZ 3.86Å; D500-K503 PolarHBondContact OD2-NZ 3.19Å; D500-I504 WeakPolarHBondContact O-CG1 3.46Å; D500-I504 PolarHBondContact O-N 3.47Å; D500-I504 VanDerWaalsContact O-N 3.14Å
501	W	88.6	Confident	90.1	Very high	54 Å²	54	46.1 Å²	46.1	21%	0.205	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-31.6	-177.5	71.6	-95.8	0	0	0	113.3	G499 I504 V505 L524 L527 E534 I535	G499-W501 PolarHBondContact O-N 3.47Å; W501-I504 PolarHBondContact O-N 3.14Å; W501-V505 HydrophobicContact CE3-CG2 4.09Å; W501-V505 HydrophobicContact CZ3-CG2 4.48Å; W501-V505 WeakPolarHBondContact O-CG2 3.29Å; W501-V505 PolarHBondContact O-N 3.11Å; W501-L524 HydrophobicContact CB-CD2 3.83Å; W501-L527 HydrophobicContact CB-CD1 3.68Å; W501-L527 HydrophobicContact CG-CD1 4.36Å; W501-E534 HydrophobicContact CH2-CB 4.2Å; W501-E534 WeakPolarHBondContact CH2-OE2 3.2Å; W501-E534 HydrophobicContact CZ3-CB 4.47Å; W501-I535 HydrophobicContact CD2-CD1 4.12Å; W501-I535 HydrophobicContact CD2-CG1 4.06Å; W501-I535 HydrophobicContact CE3-CG1 4Å; W501-I535 HydrophobicContact CG-CD1 4.22Å; W501-I535 HydrophobicContact CZ3-CG1 4.26Å
502	Q	90.7	Very high	89.9	Confident	109 Å²	109	54.2 Å²	54.2	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-66.6	-45.9	179.4	-64.9	179.7	-19.9	0	0	110.2	D500 I504 V505 L506	D500-Q502 VanDerWaalsContact C-N 3.27Å; D500-Q502 PolarHBondContact O-N 2.91Å; D500-Q502 PolarHBondContact OD1-N 3.3Å; Q502-I504 VanDerWaalsContact C-N 3.3Å; Q502-I504 PolarHBondContact O-N 3.17Å; Q502-V505 PolarHBondContact O-N 2.63Å; Q502-L506 WeakPolarHBondContact O-CG 3.37Å; Q502-L506 PolarHBondContact O-N 2.85Å
503	K	88.9	Confident	89.7	Confident	102 Å²	102	56 Å²	56	44%	0.443	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-37.8	174.8	-72	-175.6	-177.1	113.8	0	112.1	L495 D500 F507	L495-K503 HydrophobicContact CD2-CB 4.04Å; D500-K503 HydrophobicContact CB-CB 4.23Å; D500-K503 HydrophobicContact CB-CD 4.23Å; D500-K503 HydrophobicContact CB-CG 4.31Å; D500-K503 PolarHBondContact O-N 3.05Å; D500-K503 PolarHBondContact OD1-N 2.86Å; D500-K503 VanDerWaalsContact OD2-CD 3.25Å; D500-K503 WeakPolarHBondContact OD2-CD 3.18Å; D500-K503 VanDerWaalsContact OD2-CE 3.3Å; D500-K503 WeakPolarHBondContact OD2-CE 3.06Å; D500-K503 WeakPolarHBondContact OD2-CG 3.39Å; D500-K503 IonicContact OD2-NZ 3.86Å; D500-K503 PolarHBondContact OD2-NZ 3.19Å; K503-F507 VanDerWaalsContact O-CB 3.28Å; K503-F507 WeakPolarHBondContact O-CB 3.48Å; K503-F507 PolarHBondContact O-N 3.45Å
504	I	90.8	Very high	89.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-48	175	-66.7	166.7	0	0	0	110.5	M492 L495 I496 D500 W501 Q502 L506 F507 T508 A520 Y523	M492-I504 HydrophobicContact SD-CG2 3.96Å; L495-I504 HydrophobicContact CB-CG1 3.75Å; I496-I504 HydrophobicContact CG1-CD1 4.06Å; D500-I504 WeakPolarHBondContact O-CG1 3.46Å; D500-I504 PolarHBondContact O-N 3.47Å; D500-I504 VanDerWaalsContact O-N 3.14Å; W501-I504 PolarHBondContact O-N 3.14Å; Q502-I504 VanDerWaalsContact C-N 3.3Å; Q502-I504 PolarHBondContact O-N 3.17Å; I504-L506 PolarHBondContact O-N 3.36Å; I504-F507 PolarHBondContact O-N 2.98Å; I504-T508 VanDerWaalsContact O-CB 3.3Å; I504-T508 WeakPolarHBondContact O-CB 3.38Å; I504-T508 PolarHBondContact O-N 3.41Å; I504-T508 PolarHBondContact O-OG1 3.07Å; I504-A520 HydrophobicContact CG2-CB 3.85Å; I504-Y523 HydrophobicContact CD1-CD1 3.54Å; I504-Y523 HydrophobicContact CD1-CE1 3.37Å
505	V	90.8	Very high	89.6	Confident	18 Å²	18	61.7 Å²	61.7	11%	0.109	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-45.2	-179.9	169	0	0	0	0	111.3	W501 Q502 T508 N509 L524 F542	W501-V505 HydrophobicContact CE3-CG2 4.09Å; W501-V505 HydrophobicContact CZ3-CG2 4.48Å; W501-V505 WeakPolarHBondContact O-CG2 3.29Å; W501-V505 PolarHBondContact O-N 3.11Å; Q502-V505 PolarHBondContact O-N 2.63Å; V505-T508 PolarHBondContact O-N 3.45Å; V505-N509 WeakPolarHBondContact O-CB 3.23Å; V505-N509 PolarHBondContact O-N 3.02Å; V505-N509 PolarHBondContact O-ND2 2.91Å; V505-N509 VanDerWaalsContact O-ND2 3.16Å; V505-L524 HydrophobicContact CG2-CD1 4.08Å; V505-F542 HydrophobicContact CB-CZ 4.26Å; V505-F542 HydrophobicContact CG1-CZ 4.07Å; V505-F542 HydrophobicContact CG2-CE2 4.1Å; V505-F542 HydrophobicContact CG2-CZ 4.13Å
506	L	90.3	Very high	89.6	Confident	122 Å²	122	61.4 Å²	61.4	64%	0.639	32%	0.315	S	S	*	.	H	α-helix	trans	-61.9	-48.1	177	-70	171.9	0	0	0	111.8	Q502 I504 T508 N509 A510	Q502-L506 WeakPolarHBondContact O-CG 3.37Å; Q502-L506 PolarHBondContact O-N 2.85Å; I504-L506 PolarHBondContact O-N 3.36Å; L506-T508 PolarHBondContact O-N 3.11Å; L506-N509 PolarHBondContact O-N 3.36Å; L506-A510 WeakPolarHBondContact O-CB 3.39Å; L506-A510 PolarHBondContact O-N 3.41Å
507	F	91.4	Very high	89.6	Confident	25 Å²	25	60.4 Å²	60.4	11%	0.11	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-41.4	178.9	178.7	-113.1	0	0	0	112.2	I483 R488 A491 M492 L495 K503 I504 A510 A511 L516	I483-F507 HydrophobicContact CD1-CD2 3.9Å; I483-F507 HydrophobicContact CD1-CE2 4.15Å; I483-F507 HydrophobicContact CG1-CD2 3.89Å; I483-F507 HydrophobicContact CG1-CE2 3.6Å; I483-F507 HydrophobicContact CG1-CZ 4.31Å; R488-F507 HydrophobicContact CB-CZ 4.02Å; R488-F507 HydrophobicContact CG-CZ 4.36Å; A491-F507 HydrophobicContact CB-CE1 3.94Å; A491-F507 HydrophobicContact CB-CE2 4.33Å; A491-F507 HydrophobicContact CB-CZ 3.65Å; M492-F507 HydrophobicContact CB-CE1 4.21Å; M492-F507 HydrophobicContact CE-CD1 3.62Å; M492-F507 HydrophobicContact CE-CE1 3.96Å; M492-F507 HydrophobicContact SD-CD1 4.27Å; L495-F507 HydrophobicContact CD1-CB 3.63Å; L495-F507 HydrophobicContact CD1-CD1 3.63Å; L495-F507 HydrophobicContact CD1-CE1 4.49Å; L495-F507 HydrophobicContact CD1-CG 3.68Å; K503-F507 VanDerWaalsContact O-CB 3.28Å; K503-F507 WeakPolarHBondContact O-CB 3.48Å; K503-F507 PolarHBondContact O-N 3.45Å; I504-F507 PolarHBondContact O-N 2.98Å; F507-A510 PolarHBondContact O-N 3.39Å; F507-A511 HydrophobicContact CZ-CB 4.37Å; F507-A511 VanDerWaalsContact O-CB 3.22Å; F507-A511 WeakPolarHBondContact O-CB 3.41Å; F507-A511 PolarHBondContact O-N 3.02Å; F507-L516 HydrophobicContact CE1-CD1 4.45Å
508	T	91.3	Very high	89.7	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-45.2	179.8	-53	0	0	0	0	111.3	M492 I504 V505 L506 A510 A511 K512 Y517 A520 F542	M492-T508 HydrophobicContact CE-CG2 4.38Å; M492-T508 WeakPolarHBondContact CE-OG1 3.34Å; I504-T508 VanDerWaalsContact O-CB 3.3Å; I504-T508 WeakPolarHBondContact O-CB 3.38Å; I504-T508 PolarHBondContact O-N 3.41Å; I504-T508 PolarHBondContact O-OG1 3.07Å; V505-T508 PolarHBondContact O-N 3.45Å; L506-T508 PolarHBondContact O-N 3.11Å; T508-A510 VanDerWaalsContact C-N 3.32Å; T508-A510 PolarHBondContact O-N 3.02Å; T508-A511 PolarHBondContact O-N 3.17Å; T508-K512 PolarHBondContact O-N 3.2Å; T508-Y517 HydrophobicContact CG2-CD1 3.34Å; T508-Y517 HydrophobicContact CG2-CE1 3.72Å; T508-Y517 HydrophobicContact CG2-CG 4.2Å; T508-A520 HydrophobicContact CG2-CB 3.88Å; T508-A520 VanDerWaalsContact OG1-CB 3.32Å; T508-A520 WeakPolarHBondContact OG1-CB 3.05Å; T508-F542 HydrophobicContact CG2-CD1 4.14Å; T508-F542 HydrophobicContact CG2-CD2 4.42Å; T508-F542 HydrophobicContact CG2-CE1 3.87Å; T508-F542 HydrophobicContact CG2-CE2 4.17Å; T508-F542 HydrophobicContact CG2-CG 4.4Å; T508-F542 HydrophobicContact CG2-CZ 3.9Å
509	N	91	Very high	89.8	Confident	49 Å²	49	58.5 Å²	58.5	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-36.2	176.4	-80.6	-43.7	0	0	0	112.4	V505 L506 K545	V505-N509 WeakPolarHBondContact O-CB 3.23Å; V505-N509 PolarHBondContact O-N 3.02Å; V505-N509 PolarHBondContact O-ND2 2.91Å; V505-N509 VanDerWaalsContact O-ND2 3.16Å; L506-N509 PolarHBondContact O-N 3.36Å; N509-K545 PolarHBondContact OD1-NZ 3.41Å
510	A	90.2	Very high	90.1	Very high	79 Å²	79	56.8 Å²	56.8	65%	0.653	28%	0.281	S	S	*	.	H	α-helix	trans	-70.9	-37.6	175.4	0	0	0	0	0	112.9	L506 F507 T508	L506-A510 WeakPolarHBondContact O-CB 3.39Å; L506-A510 PolarHBondContact O-N 3.41Å; F507-A510 PolarHBondContact O-N 3.39Å; T508-A510 VanDerWaalsContact C-N 3.32Å; T508-A510 PolarHBondContact O-N 3.02Å
511	A	85.3	Confident	90.2	Very high	16 Å²	16	54.9 Å²	54.9	13%	0.132	27%	0.271	C	S	.	.	H	α-helix	trans	-76.8	-23.6	-172.9	0	0	0	0	0	114.7	F507 T508 S513 L516	F507-A511 HydrophobicContact CZ-CB 4.37Å; F507-A511 VanDerWaalsContact O-CB 3.22Å; F507-A511 WeakPolarHBondContact O-CB 3.41Å; F507-A511 PolarHBondContact O-N 3.02Å; T508-A511 PolarHBondContact O-N 3.17Å; A511-S513 VanDerWaalsContact C-N 3.25Å; A511-S513 PolarHBondContact O-N 3.19Å; A511-S513 VanDerWaalsContact O-N 3.11Å; A511-L516 HydrophobicContact CB-CD1 3.52Å
512	K	85.9	Confident	90.3	Very high	169 Å²	169	56 Å²	56	74%	0.735	28%	0.281	S	S	*	.			trans	48.1	36.2	176.6	-60.3	-177.3	-178.3	177.6	0	115.6	T508	T508-K512 PolarHBondContact O-N 3.2Å
513	S	88.8	Confident	90.3	Very high	37 Å²	37	52.8 Å²	52.8	26%	0.259	26%	0.264	S	S	.	.			trans	-109.2	133.3	-179.8	173.9	0	0	0	0	112.1	A511 E515 L516 Y517	A511-S513 VanDerWaalsContact C-N 3.25Å; A511-S513 PolarHBondContact O-N 3.19Å; A511-S513 VanDerWaalsContact O-N 3.11Å; S513-E515 VanDerWaalsContact C-N 3.31Å; S513-E515 PolarHBondContact O-N 2.97Å; S513-L516 PolarHBondContact O-N 3.25Å; S513-Y517 WeakPolarHBondContact O-CD2 3.25Å; S513-Y517 PolarHBondContact O-N 3.32Å
514	R	90.5	Very high	90.3	Very high	159 Å²	159	47.9 Å²	47.9	60%	0.6	24%	0.243	S	C	*	.	H	α-helix	trans	-52.3	-47.6	177.2	179.4	176.4	178.7	174.9	-1.6	112.2	L516 Y517 I518 A546	R514-L516 PolarHBondContact O-N 2.99Å; R514-Y517 PolarHBondContact O-N 2.9Å; R514-I518 HydrophobicContact CG-CD1 4.36Å; R514-I518 WeakPolarHBondContact O-CG1 3.43Å; R514-I518 PolarHBondContact O-N 3.05Å; R514-A546 HydrophobicContact CG-CB 4.12Å; R514-A546 PolarHBondContact NE-O 2.94Å
515	E	90.4	Very high	90.2	Very high	94 Å²	94	49.6 Å²	49.6	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-63.4	-42.1	-178.7	-63.5	-179.4	178.4	0	0	111.9	R489 S513 I518 I519	R489-E515 WeakPolarHBondContact CD-OE2 3.21Å; R489-E515 IonicContact CZ-OE2 3.51Å; R489-E515 IonicContact NE-OE2 3.8Å; R489-E515 IonicContact NH1-OE1 3.32Å; R489-E515 PolarHBondContact NH1-OE1 2.7Å; R489-E515 IonicContact NH1-OE2 2.7Å; R489-E515 PolarHBondContact NH1-OE2 3.49Å; S513-E515 VanDerWaalsContact C-N 3.31Å; S513-E515 PolarHBondContact O-N 2.97Å; E515-I518 PolarHBondContact O-N 3.41Å; E515-I519 WeakPolarHBondContact O-CG1 3.46Å; E515-I519 PolarHBondContact O-N 3.33Å
516	L	91	Very high	90	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-35.5	-178.8	-62.6	178.7	0	0	0	112	R488 R489 M492 F507 A511 S513 R514 I518 I519 A520	R488-L516 HydrophobicContact CB-CD1 3.64Å; R488-L516 HydrophobicContact CG-CD1 4.48Å; R489-L516 HydrophobicContact CG-CD2 4.29Å; M492-L516 HydrophobicContact CB-CD2 3.84Å; M492-L516 HydrophobicContact CE-CB 3.93Å; M492-L516 HydrophobicContact CE-CD2 4.25Å; M492-L516 HydrophobicContact CE-CG 4.5Å; M492-L516 HydrophobicContact CG-CD2 4.18Å; F507-L516 HydrophobicContact CE1-CD1 4.45Å; A511-L516 HydrophobicContact CB-CD1 3.52Å; S513-L516 PolarHBondContact O-N 3.25Å; R514-L516 PolarHBondContact O-N 2.99Å; L516-I518 VanDerWaalsContact C-N 3.32Å; L516-I518 PolarHBondContact O-N 3.21Å; L516-I519 PolarHBondContact O-N 3.42Å; L516-A520 VanDerWaalsContact O-CB 3.25Å; L516-A520 WeakPolarHBondContact O-CB 3.48Å; L516-A520 PolarHBondContact O-N 3.07Å
517	Y	92.6	Very high	89.8	Confident	18 Å²	18	50.2 Å²	50.2	7%	0.071	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-44.4	171.8	-73.1	-54.1	0	0	0	111.6	T508 S513 R514 A521 F542 K545	T508-Y517 HydrophobicContact CG2-CD1 3.34Å; T508-Y517 HydrophobicContact CG2-CE1 3.72Å; T508-Y517 HydrophobicContact CG2-CG 4.2Å; S513-Y517 WeakPolarHBondContact O-CD2 3.25Å; S513-Y517 PolarHBondContact O-N 3.32Å; R514-Y517 PolarHBondContact O-N 2.9Å; Y517-A521 WeakPolarHBondContact O-CB 3.27Å; Y517-A521 PolarHBondContact O-N 2.77Å; Y517-F542 HydrophobicContact CD1-CB 4.08Å; Y517-F542 AromaticContact CD1-CD1 3.39Å; Y517-F542 HydrophobicContact CD1-CD1 3.39Å; Y517-F542 HydrophobicContact CD1-CE1 4.04Å; Y517-F542 AromaticContact CD1-CG 3.91Å; Y517-F542 HydrophobicContact CD1-CG 3.91Å; Y517-F542 AromaticContact CE1-CD1 3.73Å; Y517-F542 HydrophobicContact CE1-CD1 3.73Å; Y517-F542 HydrophobicContact CE1-CE1 4.05Å; Y517-K545 HydrophobicContact CD1-CB 4.34Å; Y517-K545 HydrophobicContact CD1-CD 4.38Å; Y517-K545 HydrophobicContact CD2-CB 3.96Å; Y517-K545 HydrophobicContact CE1-CB 4.26Å; Y517-K545 HydrophobicContact CE1-CD 3.65Å; Y517-K545 HydrophobicContact CE2-CB 3.87Å; Y517-K545 HydrophobicContact CE2-CD 4.25Å; Y517-K545 HydrophobicContact CG-CB 4.23Å
518	I	91.8	Very high	89.3	Confident	39 Å²	39	53.8 Å²	53.8	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-46.2	178.4	-63	168.8	0	0	0	110.7	R514 E515 L516 A521 N522 A546 A548	R514-I518 HydrophobicContact CG-CD1 4.36Å; R514-I518 WeakPolarHBondContact O-CG1 3.43Å; R514-I518 PolarHBondContact O-N 3.05Å; E515-I518 PolarHBondContact O-N 3.41Å; L516-I518 VanDerWaalsContact C-N 3.32Å; L516-I518 PolarHBondContact O-N 3.21Å; I518-A521 PolarHBondContact O-N 3.12Å; I518-N522 WeakPolarHBondContact O-CB 3.48Å; I518-N522 PolarHBondContact O-N 3.28Å; I518-N522 PolarHBondContact O-ND2 3.48Å; I518-N522 PolarHBondContact O-OD1 2.97Å; I518-A546 HydrophobicContact CD1-CB 4.28Å; I518-A546 HydrophobicContact CG1-CB 3.7Å; I518-A548 HydrophobicContact CD1-CB 4.36Å; I518-A548 HydrophobicContact CG1-CB 4.15Å
519	I	91.2	Very high	88.8	Confident	61 Å²	61	54.4 Å²	54.4	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-46.3	-179.6	-68.3	166.7	0	0	0	111.2	M492 I496 E515 L516 Y523	M492-I519 HydrophobicContact CG-CB 4.48Å; M492-I519 HydrophobicContact CG-CG2 3.74Å; I496-I519 HydrophobicContact CD1-CG2 3.51Å; E515-I519 WeakPolarHBondContact O-CG1 3.46Å; E515-I519 PolarHBondContact O-N 3.33Å; L516-I519 PolarHBondContact O-N 3.42Å; I519-Y523 PolarHBondContact O-N 2.93Å; I519-Y523 VanDerWaalsContact O-N 3.1Å
520	A	91.7	Very high	88.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-45.9	177.9	0	0	0	0	0	111.5	M492 I504 T508 L516 N522 Y523 L524 F542	M492-A520 HydrophobicContact CE-CB 4.2Å; M492-A520 HydrophobicContact SD-CB 4.36Å; I504-A520 HydrophobicContact CG2-CB 3.85Å; T508-A520 HydrophobicContact CG2-CB 3.88Å; T508-A520 VanDerWaalsContact OG1-CB 3.32Å; T508-A520 WeakPolarHBondContact OG1-CB 3.05Å; L516-A520 VanDerWaalsContact O-CB 3.25Å; L516-A520 WeakPolarHBondContact O-CB 3.48Å; L516-A520 PolarHBondContact O-N 3.07Å; A520-N522 PolarHBondContact O-N 3.2Å; A520-Y523 PolarHBondContact O-N 3.37Å; A520-L524 VanDerWaalsContact O-CG 3.3Å; A520-L524 WeakPolarHBondContact O-CG 3.41Å; A520-L524 PolarHBondContact O-N 2.84Å; A520-F542 HydrophobicContact CB-CD2 4.09Å; A520-F542 HydrophobicContact CB-CE2 4.1Å
521	A	90.2	Very high	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-44.8	178.3	0	0	0	0	0	111.9	Y517 I518 Y523 L524 C525 F542 Y543	Y517-A521 WeakPolarHBondContact O-CB 3.27Å; Y517-A521 PolarHBondContact O-N 2.77Å; I518-A521 PolarHBondContact O-N 3.12Å; A521-Y523 VanDerWaalsContact C-N 3.3Å; A521-Y523 PolarHBondContact O-N 2.98Å; A521-L524 PolarHBondContact O-N 2.96Å; A521-C525 PolarHBondContact O-N 3.41Å; A521-C525 PolarHBondContact O-SG 3.4Å; A521-F542 HydrophobicContact CB-CB 3.94Å; A521-Y543 HydrophobicContact CB-CD1 3.84Å; A521-Y543 HydrophobicContact CB-CD2 4.09Å; A521-Y543 HydrophobicContact CB-CE1 3.49Å; A521-Y543 VanDerWaalsContact CB-CE1 3.49Å; A521-Y543 HydrophobicContact CB-CE2 3.8Å; A521-Y543 HydrophobicContact CB-CG 4.12Å; A521-Y543 VanDerWaalsContact CB-CZ 3.47Å
522	N	91	Very high	87.3	Confident	76 Å²	76	56.4 Å²	56.4	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-39.4	176.7	-70.7	-8.3	0	0	0	112.1	I518 A520 Y543	I518-N522 WeakPolarHBondContact O-CB 3.48Å; I518-N522 PolarHBondContact O-N 3.28Å; I518-N522 PolarHBondContact O-ND2 3.48Å; I518-N522 PolarHBondContact O-OD1 2.97Å; A520-N522 PolarHBondContact O-N 3.2Å; N522-Y543 PolarHBondContact OD1-OH 3.11Å
523	Y	90.7	Very high	87.2	Confident	42 Å²	42	52.3 Å²	52.3	17%	0.165	28%	0.282	C	S	.	.	H	α-helix	trans	-67.6	-46.4	175	175.1	-104.4	0	0	0	111.9	I496 G499 I504 I519 A520 A521 C525 T526 L527	I496-Y523 HydrophobicContact CB-CD2 4.37Å; I496-Y523 HydrophobicContact CD1-CG 4.48Å; I496-Y523 HydrophobicContact CG1-CD1 4.25Å; I496-Y523 HydrophobicContact CG1-CD2 4.27Å; I496-Y523 HydrophobicContact CG1-CG 3.95Å; I496-Y523 HydrophobicContact CG2-CD2 3.53Å; I496-Y523 HydrophobicContact CG2-CE2 3.75Å; I496-Y523 HydrophobicContact CG2-CG 4.1Å; G499-Y523 WeakPolarHBondContact CA-OH 3.09Å; I504-Y523 HydrophobicContact CD1-CD1 3.54Å; I504-Y523 HydrophobicContact CD1-CE1 3.37Å; I519-Y523 PolarHBondContact O-N 2.93Å; I519-Y523 VanDerWaalsContact O-N 3.1Å; A520-Y523 PolarHBondContact O-N 3.37Å; A521-Y523 VanDerWaalsContact C-N 3.3Å; A521-Y523 PolarHBondContact O-N 2.98Å; Y523-C525 PolarHBondContact O-N 3.38Å; Y523-T526 WeakPolarHBondContact O-CB 3.44Å; Y523-T526 PolarHBondContact O-N 2.87Å; Y523-T526 PolarHBondContact O-OG1 3.46Å; Y523-L527 HydrophobicContact CE1-CD1 3.92Å; Y523-L527 HydrophobicContact CE1-CG 4.35Å
524	L	89.8	Confident	87	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-31.5	178.6	-69.7	-179.4	0	0	0	112.5	W501 V505 A520 A521 T526 L527 I535 I539 F542	W501-L524 HydrophobicContact CB-CD2 3.83Å; V505-L524 HydrophobicContact CG2-CD1 4.08Å; A520-L524 VanDerWaalsContact O-CG 3.3Å; A520-L524 WeakPolarHBondContact O-CG 3.41Å; A520-L524 PolarHBondContact O-N 2.84Å; A521-L524 PolarHBondContact O-N 2.96Å; L524-T526 PolarHBondContact O-N 3.02Å; L524-L527 HydrophobicContact CD2-CD1 3.92Å; L524-L527 PolarHBondContact O-N 2.84Å; L524-L527 VanDerWaalsContact O-N 3.14Å; L524-I535 HydrophobicContact CB-CG2 3.93Å; L524-I535 HydrophobicContact CD2-CG2 4.15Å; L524-I535 HydrophobicContact CG-CG2 4.41Å; L524-I539 HydrophobicContact CB-CD1 3.88Å; L524-I539 HydrophobicContact CB-CG1 3.52Å; L524-I539 HydrophobicContact CD1-CG1 4.16Å; L524-F542 HydrophobicContact CD1-CD2 4.03Å; L524-F542 HydrophobicContact CD1-CE2 3.77Å
525	C	87.9	Confident	86.9	Confident	36 Å²	36	48.8 Å²	48.8	24%	0.243	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21	172.5	-69.7	0	0	0	0	113.7	A521 Y523	A521-C525 PolarHBondContact O-N 3.41Å; A521-C525 PolarHBondContact O-SG 3.4Å; Y523-C525 PolarHBondContact O-N 3.38Å
526	T	87.9	Confident	86.6	Confident	106 Å²	106	44.7 Å²	44.7	65%	0.65	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.2	176.5	68.4	0	0	0	0	113.5	Y523 L524	Y523-T526 WeakPolarHBondContact O-CB 3.44Å; Y523-T526 PolarHBondContact O-N 2.87Å; Y523-T526 PolarHBondContact O-OG1 3.46Å; L524-T526 PolarHBondContact O-N 3.02Å
527	L	85.6	Confident	86.5	Confident	46 Å²	46	49.5 Å²	49.5	24%	0.241	28%	0.276	C	S	.	.	S	Bend	trans	-86.5	166	175.2	-61.5	176.1	0	0	0	111	W501 Y523 L524 W529 I535	W501-L527 HydrophobicContact CB-CD1 3.68Å; W501-L527 HydrophobicContact CG-CD1 4.36Å; Y523-L527 HydrophobicContact CE1-CD1 3.92Å; Y523-L527 HydrophobicContact CE1-CG 4.35Å; L524-L527 HydrophobicContact CD2-CD1 3.92Å; L524-L527 PolarHBondContact O-N 2.84Å; L524-L527 VanDerWaalsContact O-N 3.14Å; L527-W529 VanDerWaalsContact C-N 3.3Å; L527-W529 PolarHBondContact O-N 3.38Å; L527-I535 HydrophobicContact CB-CD1 4.4Å; L527-I535 HydrophobicContact CD1-CD1 4.3Å
528	D	81.2	Confident	86.4	Confident	101 Å²	101	49.3 Å²	49.3	54%	0.54	28%	0.277	S	S	.	.			trans	-76.2	82	173.6	-169.9	2	0	0	0	111.4	H530 A531	D528-H530 PolarHBondContact O-N 3.07Å; D528-H530 WeakPolarHBondContact OD1-CB 3.46Å; D528-H530 IonicContact OD1-CD2 3.71Å; D528-H530 PolarHBondContact OD1-N 3.14Å; D528-A531 PolarHBondContact O-N 3.48Å
529	W	81.1	Confident	86.2	Confident	14 Å²	14	47.4 Å²	47.4	5%	0.053	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.3	179.4	54.2	-96	0	0	0	113.4	L527 I535 I539 F555 W559 E562	L527-W529 VanDerWaalsContact C-N 3.3Å; L527-W529 PolarHBondContact O-N 3.38Å; W529-I535 HydrophobicContact CB-CB 4.08Å; W529-I535 HydrophobicContact CB-CG2 3.65Å; W529-I539 HydrophobicContact CB-CD1 4.15Å; W529-I539 HydrophobicContact CG-CD1 4.31Å; W529-F555 HydrophobicContact CD2-CE2 4.23Å; W529-F555 HydrophobicContact CD2-CZ 4.37Å; W529-F555 HydrophobicContact CE3-CZ 4.47Å; W529-F555 HydrophobicContact CZ2-CE2 4.5Å; W529-W559 HydrophobicContact CH2-CB 3.94Å; W529-W559 AromaticContact CH2-CD1 3.47Å; W529-W559 VanDerWaalsContact CH2-CD1 3.47Å; W529-W559 AromaticContact CH2-CG 3.79Å; W529-W559 HydrophobicContact CH2-CG 3.79Å; W529-W559 HydrophobicContact CZ3-CB 4.41Å; W529-W559 AromaticContact CZ3-CD1 3.35Å; W529-W559 HydrophobicContact CZ3-CD2 4.22Å; W529-W559 AromaticContact CZ3-CG 3.8Å; W529-W559 HydrophobicContact CZ3-CG 3.8Å; W529-W559 AromaticContact CZ3-NE1 3.54Å; W529-E562 HydrophobicContact CH2-CB 4.46Å; W529-E562 WeakPolarHBondContact CZ2-OE2 3.43Å
530	H	75.5	Confident	86.1	Confident	67 Å²	67	45.3 Å²	45.3	31%	0.31	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-40.3	172	-66.1	-83.1	0	0	0	112	D528 T532 E562	D528-H530 PolarHBondContact O-N 3.07Å; D528-H530 WeakPolarHBondContact OD1-CB 3.46Å; D528-H530 IonicContact OD1-CD2 3.71Å; D528-H530 PolarHBondContact OD1-N 3.14Å; H530-T532 PolarHBondContact O-N 2.99Å; H530-E562 IonicContact CD2-OE2 3.59Å; H530-E562 IonicContact CE1-OE2 3.63Å; H530-E562 IonicContact NE2-OE2 2.66Å; H530-E562 PolarHBondContact NE2-OE2 3.47Å
531	A	77.6	Confident	86.1	Confident	73 Å²	73	49.2 Å²	49.2	60%	0.603	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.2	-179.7	0	0	0	0	0	112.2	D528	D528-A531 PolarHBondContact O-N 3.48Å
532	T	81.9	Confident	86.1	Confident	45 Å²	45	49.2 Å²	49.2	28%	0.276	28%	0.275	S	S	.	.			trans	-130.1	102.3	-176.6	31.5	0	0	0	0	111.3	H530 E534 I535	H530-T532 PolarHBondContact O-N 2.99Å; T532-E534 PolarHBondContact O-N 3.36Å; T532-E534 VanDerWaalsContact O-N 3.09Å; T532-I535 PolarHBondContact O-N 3.06Å; T532-I535 WeakPolarHBondContact OG1-CD1 3.47Å; T532-I535 WeakPolarHBondContact OG1-CG1 3.16Å
533	P	82.7	Confident	86.2	Confident	83 Å²	83	46 Å²	46	54%	0.539	26%	0.257	S	S	.	.	H	α-helix	trans	-61.4	-24.2	-178.6	24.3	-33.5	0	0	0	112.6	I535 S536 N537	P533-I535 VanDerWaalsContact C-N 3.3Å; P533-I535 PolarHBondContact O-N 3.08Å; P533-S536 PolarHBondContact O-N 3.24Å; P533-S536 PolarHBondContact O-OG 3.36Å; P533-N537 PolarHBondContact O-N 3.35Å; P533-N537 PolarHBondContact O-ND2 3.01Å
534	E	85.7	Confident	86.2	Confident	118 Å²	118	49.6 Å²	49.6	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-59.6	-37.4	174.3	-63.7	176.2	-175.3	0	0	112.9	W501 T532 S538	W501-E534 HydrophobicContact CH2-CB 4.2Å; W501-E534 WeakPolarHBondContact CH2-OE2 3.2Å; W501-E534 HydrophobicContact CZ3-CB 4.47Å; T532-E534 PolarHBondContact O-N 3.36Å; T532-E534 VanDerWaalsContact O-N 3.09Å; E534-S538 WeakPolarHBondContact O-CB 3.36Å; E534-S538 PolarHBondContact O-N 3.34Å; E534-S538 PolarHBondContact O-OG 2.66Å
535	I	87.6	Confident	86.2	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-47.9	176.2	-61.9	-174.5	0	0	0	109.5	W501 L524 L527 W529 T532 P533 N537 S538 I539	W501-I535 HydrophobicContact CD2-CD1 4.12Å; W501-I535 HydrophobicContact CD2-CG1 4.06Å; W501-I535 HydrophobicContact CE3-CG1 4Å; W501-I535 HydrophobicContact CG-CD1 4.22Å; W501-I535 HydrophobicContact CZ3-CG1 4.26Å; L524-I535 HydrophobicContact CB-CG2 3.93Å; L524-I535 HydrophobicContact CD2-CG2 4.15Å; L524-I535 HydrophobicContact CG-CG2 4.41Å; L527-I535 HydrophobicContact CB-CD1 4.4Å; L527-I535 HydrophobicContact CD1-CD1 4.3Å; W529-I535 HydrophobicContact CB-CB 4.08Å; W529-I535 HydrophobicContact CB-CG2 3.65Å; T532-I535 PolarHBondContact O-N 3.06Å; T532-I535 WeakPolarHBondContact OG1-CD1 3.47Å; T532-I535 WeakPolarHBondContact OG1-CG1 3.16Å; P533-I535 VanDerWaalsContact C-N 3.3Å; P533-I535 PolarHBondContact O-N 3.08Å; I535-N537 VanDerWaalsContact C-N 3.34Å; I535-N537 PolarHBondContact O-N 2.97Å; I535-S538 WeakPolarHBondContact O-CB 3.24Å; I535-S538 PolarHBondContact O-N 3.49Å; I535-S538 VanDerWaalsContact O-N 3.13Å; I535-I539 HydrophobicContact CG2-CD1 3.94Å; I535-I539 HydrophobicContact CG2-CG1 4.41Å; I535-I539 VanDerWaalsContact O-CG1 3.32Å; I535-I539 WeakPolarHBondContact O-CG1 3.12Å; I535-I539 PolarHBondContact O-N 2.98Å
536	S	85	Confident	86.3	Confident	8 Å²	8	52.2 Å²	52.2	6%	0.056	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-42	179.4	75.4	0	0	0	0	112.6	P533 S538 I539 V540	P533-S536 PolarHBondContact O-N 3.24Å; P533-S536 PolarHBondContact O-OG 3.36Å; S536-S538 VanDerWaalsContact C-N 3.34Å; S536-S538 PolarHBondContact O-N 2.96Å; S536-I539 PolarHBondContact O-N 2.67Å; S536-V540 WeakPolarHBondContact O-CG2 3.22Å; S536-V540 PolarHBondContact O-N 3.09Å; S536-V540 VanDerWaalsContact O-N 3.15Å
537	N	88.7	Confident	86.4	Confident	103 Å²	103	50.2 Å²	50.2	55%	0.551	27%	0.272	S	S	*	.	H	α-helix	trans	-64.5	-40.7	176	-74.2	-27.7	0	0	0	111.3	P533 I535 V540 Q541	P533-N537 PolarHBondContact O-N 3.35Å; P533-N537 PolarHBondContact O-ND2 3.01Å; I535-N537 VanDerWaalsContact C-N 3.34Å; I535-N537 PolarHBondContact O-N 2.97Å; N537-V540 PolarHBondContact O-N 3.06Å; N537-Q541 VanDerWaalsContact O-CB 3.27Å; N537-Q541 WeakPolarHBondContact O-CB 3.16Å; N537-Q541 PolarHBondContact O-N 3.04Å
538	S	89	Confident	86.6	Confident	13 Å²	13	48.2 Å²	48.2	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-41.4	177.2	-60.8	0	0	0	0	111.9	E534 I535 S536 Q541 F542	E534-S538 WeakPolarHBondContact O-CB 3.36Å; E534-S538 PolarHBondContact O-N 3.34Å; E534-S538 PolarHBondContact O-OG 2.66Å; I535-S538 WeakPolarHBondContact O-CB 3.24Å; I535-S538 PolarHBondContact O-N 3.49Å; I535-S538 VanDerWaalsContact O-N 3.13Å; S536-S538 VanDerWaalsContact C-N 3.34Å; S536-S538 PolarHBondContact O-N 2.96Å; S538-Q541 PolarHBondContact O-N 3.4Å; S538-F542 WeakPolarHBondContact O-CB 3.45Å; S538-F542 VanDerWaalsContact O-CD2 3.32Å; S538-F542 WeakPolarHBondContact O-CD2 3.38Å; S538-F542 WeakPolarHBondContact O-CG 3.43Å; S538-F542 PolarHBondContact O-N 3.02Å
539	I	88.6	Confident	86.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-51.5	175.9	-67.8	164.2	0	0	0	110.6	L524 W529 I535 S536 Q541 F542 Y543 F555	L524-I539 HydrophobicContact CB-CD1 3.88Å; L524-I539 HydrophobicContact CB-CG1 3.52Å; L524-I539 HydrophobicContact CD1-CG1 4.16Å; W529-I539 HydrophobicContact CB-CD1 4.15Å; W529-I539 HydrophobicContact CG-CD1 4.31Å; I535-I539 HydrophobicContact CG2-CD1 3.94Å; I535-I539 HydrophobicContact CG2-CG1 4.41Å; I535-I539 VanDerWaalsContact O-CG1 3.32Å; I535-I539 WeakPolarHBondContact O-CG1 3.12Å; I535-I539 PolarHBondContact O-N 2.98Å; S536-I539 PolarHBondContact O-N 2.67Å; I539-Q541 VanDerWaalsContact C-N 3.32Å; I539-Q541 PolarHBondContact O-N 3.47Å; I539-F542 PolarHBondContact O-N 3.03Å; I539-Y543 HydrophobicContact CG2-CD2 3.62Å; I539-Y543 HydrophobicContact CG2-CE2 3.44Å; I539-Y543 VanDerWaalsContact CG2-CE2 3.44Å; I539-Y543 WeakPolarHBondContact O-CD2 3.4Å; I539-Y543 PolarHBondContact O-N 3.19Å; I539-F555 HydrophobicContact CB-CE1 4.26Å; I539-F555 HydrophobicContact CB-CE2 4.39Å; I539-F555 HydrophobicContact CB-CZ 4.1Å; I539-F555 HydrophobicContact CD1-CE2 3.67Å; I539-F555 HydrophobicContact CD1-CZ 3.83Å; I539-F555 HydrophobicContact CG2-CD1 3.81Å; I539-F555 HydrophobicContact CG2-CD2 3.79Å; I539-F555 HydrophobicContact CG2-CE1 3.82Å; I539-F555 HydrophobicContact CG2-CE2 3.82Å; I539-F555 HydrophobicContact CG2-CG 3.79Å; I539-F555 HydrophobicContact CG2-CZ 3.83Å
540	V	88.5	Confident	87.2	Confident	17 Å²	17	57.4 Å²	57.4	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-43.6	178.5	173.9	0	0	0	0	110.6	S536 N537 F542 K544 L552 F555 Y556 W559	S536-V540 WeakPolarHBondContact O-CG2 3.22Å; S536-V540 PolarHBondContact O-N 3.09Å; S536-V540 VanDerWaalsContact O-N 3.15Å; N537-V540 PolarHBondContact O-N 3.06Å; V540-F542 PolarHBondContact O-N 3.06Å; V540-K544 HydrophobicContact CG1-CD 3.91Å; V540-K544 HydrophobicContact CG1-CG 4.42Å; V540-K544 VanDerWaalsContact O-CB 3.29Å; V540-K544 WeakPolarHBondContact O-CB 3.15Å; V540-K544 VanDerWaalsContact O-CG 3.23Å; V540-K544 WeakPolarHBondContact O-CG 3.47Å; V540-K544 PolarHBondContact O-N 3.01Å; V540-L552 HydrophobicContact CG1-CD1 4.33Å; V540-L552 HydrophobicContact CG2-CD1 4.42Å; V540-F555 HydrophobicContact CG2-CD1 4.2Å; V540-F555 HydrophobicContact CG2-CE1 3.84Å; V540-Y556 WeakPolarHBondContact CG1-OH 3.41Å; V540-Y556 HydrophobicContact CG2-CE1 4.35Å; V540-W559 HydrophobicContact CG2-CZ3 4.03Å
541	Q	91.1	Very high	87.7	Confident	81 Å²	81	57.3 Å²	57.3	38%	0.379	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-43.6	177.8	-170.6	-173.4	21.9	0	0	111.6	N537 S538 I539 K545	N537-Q541 VanDerWaalsContact O-CB 3.27Å; N537-Q541 WeakPolarHBondContact O-CB 3.16Å; N537-Q541 PolarHBondContact O-N 3.04Å; S538-Q541 PolarHBondContact O-N 3.4Å; I539-Q541 VanDerWaalsContact C-N 3.32Å; I539-Q541 PolarHBondContact O-N 3.47Å; Q541-K545 HydrophobicContact CG-CD 4.16Å; Q541-K545 VanDerWaalsContact NE2-NZ 3.16Å; Q541-K545 WeakPolarHBondContact O-CB 2.95Å; Q541-K545 VanDerWaalsContact O-CG 3.25Å; Q541-K545 WeakPolarHBondContact O-CG 3.34Å; Q541-K545 PolarHBondContact O-N 3.13Å
542	F	92.2	Very high	88.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.6	-46	-178.4	-67.2	-20.2	0	0	0	112.7	V505 T508 Y517 A520 A521 L524 S538 I539 V540 K544 K545 A546	V505-F542 HydrophobicContact CB-CZ 4.26Å; V505-F542 HydrophobicContact CG1-CZ 4.07Å; V505-F542 HydrophobicContact CG2-CE2 4.1Å; V505-F542 HydrophobicContact CG2-CZ 4.13Å; T508-F542 HydrophobicContact CG2-CD1 4.14Å; T508-F542 HydrophobicContact CG2-CD2 4.42Å; T508-F542 HydrophobicContact CG2-CE1 3.87Å; T508-F542 HydrophobicContact CG2-CE2 4.17Å; T508-F542 HydrophobicContact CG2-CG 4.4Å; T508-F542 HydrophobicContact CG2-CZ 3.9Å; Y517-F542 HydrophobicContact CD1-CB 4.08Å; Y517-F542 AromaticContact CD1-CD1 3.39Å; Y517-F542 HydrophobicContact CD1-CD1 3.39Å; Y517-F542 HydrophobicContact CD1-CE1 4.04Å; Y517-F542 AromaticContact CD1-CG 3.91Å; Y517-F542 HydrophobicContact CD1-CG 3.91Å; Y517-F542 AromaticContact CE1-CD1 3.73Å; Y517-F542 HydrophobicContact CE1-CD1 3.73Å; Y517-F542 HydrophobicContact CE1-CE1 4.05Å; A520-F542 HydrophobicContact CB-CD2 4.09Å; A520-F542 HydrophobicContact CB-CE2 4.1Å; A521-F542 HydrophobicContact CB-CB 3.94Å; L524-F542 HydrophobicContact CD1-CD2 4.03Å; L524-F542 HydrophobicContact CD1-CE2 3.77Å; S538-F542 WeakPolarHBondContact O-CB 3.45Å; S538-F542 VanDerWaalsContact O-CD2 3.32Å; S538-F542 WeakPolarHBondContact O-CD2 3.38Å; S538-F542 WeakPolarHBondContact O-CG 3.43Å; S538-F542 PolarHBondContact O-N 3.02Å; I539-F542 PolarHBondContact O-N 3.03Å; V540-F542 PolarHBondContact O-N 3.06Å; F542-K544 VanDerWaalsContact C-N 3.33Å; F542-K544 PolarHBondContact O-N 3.29Å; F542-K545 PolarHBondContact O-N 3.19Å; F542-A546 WeakPolarHBondContact O-CB 3.37Å; F542-A546 PolarHBondContact O-N 3.42Å
543	Y	91.1	Very high	88.4	Confident	9 Å²	9	54 Å²	54	4%	0.035	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-37.2	175.8	-72	-50	0	0	0	112.6	A521 N522 I539 A546 S547 A548 Q551 L552 F555	A521-Y543 HydrophobicContact CB-CD1 3.84Å; A521-Y543 HydrophobicContact CB-CD2 4.09Å; A521-Y543 HydrophobicContact CB-CE1 3.49Å; A521-Y543 VanDerWaalsContact CB-CE1 3.49Å; A521-Y543 HydrophobicContact CB-CE2 3.8Å; A521-Y543 HydrophobicContact CB-CG 4.12Å; A521-Y543 VanDerWaalsContact CB-CZ 3.47Å; N522-Y543 PolarHBondContact OD1-OH 3.11Å; I539-Y543 HydrophobicContact CG2-CD2 3.62Å; I539-Y543 HydrophobicContact CG2-CE2 3.44Å; I539-Y543 VanDerWaalsContact CG2-CE2 3.44Å; I539-Y543 WeakPolarHBondContact O-CD2 3.4Å; I539-Y543 PolarHBondContact O-N 3.19Å; Y543-A546 PolarHBondContact O-N 3.31Å; Y543-S547 PolarHBondContact O-N 3.07Å; Y543-A548 HydrophobicContact CD1-CB 3.99Å; Y543-A548 PolarHBondContact O-N 3.29Å; Y543-Q551 HydrophobicContact CD1-CB 3.73Å; Y543-Q551 HydrophobicContact CE1-CB 3.42Å; Y543-Q551 VanDerWaalsContact CE1-CB 3.42Å; Y543-Q551 HydrophobicContact CE1-CG 4.13Å; Y543-Q551 HydrophobicContact CE2-CB 4.43Å; Y543-Q551 HydrophobicContact CG-CB 4.39Å; Y543-L552 HydrophobicContact CD2-CD1 4.4Å; Y543-L552 HydrophobicContact CG-CB 4.5Å; Y543-F555 HydrophobicContact CD2-CB 4.5Å; Y543-F555 HydrophobicContact CE2-CB 4.13Å
544	K	91.5	Very high	88.6	Confident	117 Å²	117	54.3 Å²	54.3	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-47.2	172.5	-77	179.3	178.8	179.6	0	111.7	V540 F542 A546 S547 L552	V540-K544 HydrophobicContact CG1-CD 3.91Å; V540-K544 HydrophobicContact CG1-CG 4.42Å; V540-K544 VanDerWaalsContact O-CB 3.29Å; V540-K544 WeakPolarHBondContact O-CB 3.15Å; V540-K544 VanDerWaalsContact O-CG 3.23Å; V540-K544 WeakPolarHBondContact O-CG 3.47Å; V540-K544 PolarHBondContact O-N 3.01Å; F542-K544 VanDerWaalsContact C-N 3.33Å; F542-K544 PolarHBondContact O-N 3.29Å; K544-A546 PolarHBondContact O-N 3.23Å; K544-S547 PolarHBondContact O-N 3.48Å; K544-L552 HydrophobicContact CG-CD2 4.02Å
545	K	90.5	Very high	88.6	Confident	90 Å²	90	48.9 Å²	48.9	39%	0.391	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-26.8	176.9	-75.8	179.2	179.5	179	0	113	N509 Y517 Q541 F542	N509-K545 PolarHBondContact OD1-NZ 3.41Å; Y517-K545 HydrophobicContact CD1-CB 4.34Å; Y517-K545 HydrophobicContact CD1-CD 4.38Å; Y517-K545 HydrophobicContact CD2-CB 3.96Å; Y517-K545 HydrophobicContact CE1-CB 4.26Å; Y517-K545 HydrophobicContact CE1-CD 3.65Å; Y517-K545 HydrophobicContact CE2-CB 3.87Å; Y517-K545 HydrophobicContact CE2-CD 4.25Å; Y517-K545 HydrophobicContact CG-CB 4.23Å; Q541-K545 HydrophobicContact CG-CD 4.16Å; Q541-K545 VanDerWaalsContact NE2-NZ 3.16Å; Q541-K545 WeakPolarHBondContact O-CB 2.95Å; Q541-K545 VanDerWaalsContact O-CG 3.25Å; Q541-K545 WeakPolarHBondContact O-CG 3.34Å; Q541-K545 PolarHBondContact O-N 3.13Å; F542-K545 PolarHBondContact O-N 3.19Å
546	A	89.6	Confident	88.5	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.008	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-4	177.1	0	0	0	0	0	114.6	R514 I518 F542 Y543 K544 A548	R514-A546 HydrophobicContact CG-CB 4.12Å; R514-A546 PolarHBondContact NE-O 2.94Å; I518-A546 HydrophobicContact CD1-CB 4.28Å; I518-A546 HydrophobicContact CG1-CB 3.7Å; F542-A546 WeakPolarHBondContact O-CB 3.37Å; F542-A546 PolarHBondContact O-N 3.42Å; Y543-A546 PolarHBondContact O-N 3.31Å; K544-A546 PolarHBondContact O-N 3.23Å; A546-A548 HydrophobicContact CB-CB 3.96Å; A546-A548 PolarHBondContact O-N 3.4Å
547	S	90.2	Very high	88.5	Confident	65 Å²	65	53.4 Å²	53.4	46%	0.455	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	34.5	-168.8	-53.5	0	0	0	0	113	Y543 K544 Y549	Y543-S547 PolarHBondContact O-N 3.07Å; K544-S547 PolarHBondContact O-N 3.48Å; S547-Y549 WeakPolarHBondContact O-CD2 3.33Å; S547-Y549 PolarHBondContact O-N 2.7Å
548	A	88.4	Confident	88.3	Confident	4 Å²	4	52.7 Å²	52.7	3%	0.033	26%	0.259	C	S	.	.			trans	-95.8	65.8	-175.4	0	0	0	0	0	109.9	I518 Y543 A546 E550 Q551 L552	I518-A548 HydrophobicContact CD1-CB 4.36Å; I518-A548 HydrophobicContact CG1-CB 4.15Å; Y543-A548 HydrophobicContact CD1-CB 3.99Å; Y543-A548 PolarHBondContact O-N 3.29Å; A546-A548 HydrophobicContact CB-CB 3.96Å; A546-A548 PolarHBondContact O-N 3.4Å; A548-E550 VanDerWaalsContact C-N 3.34Å; A548-E550 PolarHBondContact O-N 2.78Å; A548-Q551 PolarHBondContact O-N 3.29Å; A548-Q551 PolarHBondContact O-OE1 3.23Å; A548-L552 WeakPolarHBondContact O-CB 3.4Å; A548-L552 PolarHBondContact O-N 2.95Å
549	Y	87.7	Confident	88.1	Confident	157 Å²	157	54.9 Å²	54.9	62%	0.616	27%	0.265	S	S	*	.	H	α-helix	trans	-68.7	-29.8	-170.2	-61.3	-71.6	0	0	0	113.8	S547 L552 A553	S547-Y549 WeakPolarHBondContact O-CD2 3.33Å; S547-Y549 PolarHBondContact O-N 2.7Å; Y549-L552 HydrophobicContact CD1-CD2 4.45Å; Y549-L552 PolarHBondContact O-N 3.33Å; Y549-A553 WeakPolarHBondContact O-CB 3.46Å; Y549-A553 PolarHBondContact O-N 2.99Å
550	E	87.3	Confident	87.6	Confident	150 Å²	150	55.4 Å²	55.4	70%	0.701	27%	0.269	S	S	*	.	H	α-helix	trans	-64.8	-46.6	175.8	-65.7	-178.2	170.3	0	0	111.2	A548 L552 A553 N554	A548-E550 VanDerWaalsContact C-N 3.34Å; A548-E550 PolarHBondContact O-N 2.78Å; E550-L552 VanDerWaalsContact C-N 3.34Å; E550-A553 PolarHBondContact O-N 3.42Å; E550-N554 VanDerWaalsContact O-CG 3.27Å; E550-N554 PolarHBondContact O-N 2.85Å; E550-N554 PolarHBondContact O-ND2 3.25Å
551	Q	87.9	Confident	87.2	Confident	66 Å²	66	60.9 Å²	60.9	31%	0.308	29%	0.292	S	S	.	.	H	α-helix	trans	-67.1	-37.7	177.1	-63.1	78.7	3.5	0	0	111.1	Y543 A548 N554 F555	Y543-Q551 HydrophobicContact CD1-CB 3.73Å; Y543-Q551 HydrophobicContact CE1-CB 3.42Å; Y543-Q551 VanDerWaalsContact CE1-CB 3.42Å; Y543-Q551 HydrophobicContact CE1-CG 4.13Å; Y543-Q551 HydrophobicContact CE2-CB 4.43Å; Y543-Q551 HydrophobicContact CG-CB 4.39Å; A548-Q551 PolarHBondContact O-N 3.29Å; A548-Q551 PolarHBondContact O-OE1 3.23Å; Q551-N554 PolarHBondContact O-N 2.98Å; Q551-F555 WeakPolarHBondContact O-CB 3.41Å; Q551-F555 PolarHBondContact O-N 2.81Å
552	L	87.5	Confident	86.4	Confident	15 Å²	15	60.5 Å²	60.5	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-44.3	173.6	-176.1	63.1	0	0	0	111.8	V540 Y543 K544 A548 Y549 E550 N554 F555 Y556	V540-L552 HydrophobicContact CG1-CD1 4.33Å; V540-L552 HydrophobicContact CG2-CD1 4.42Å; Y543-L552 HydrophobicContact CD2-CD1 4.4Å; Y543-L552 HydrophobicContact CG-CB 4.5Å; K544-L552 HydrophobicContact CG-CD2 4.02Å; A548-L552 WeakPolarHBondContact O-CB 3.4Å; A548-L552 PolarHBondContact O-N 2.95Å; Y549-L552 HydrophobicContact CD1-CD2 4.45Å; Y549-L552 PolarHBondContact O-N 3.33Å; E550-L552 VanDerWaalsContact C-N 3.34Å; L552-N554 VanDerWaalsContact C-N 3.34Å; L552-F555 PolarHBondContact O-N 3.46Å; L552-Y556 HydrophobicContact CD1-CD2 4.09Å; L552-Y556 HydrophobicContact CD1-CE2 3.57Å; L552-Y556 HydrophobicContact CD2-CE2 4.07Å; L552-Y556 HydrophobicContact CG-CD2 3.91Å; L552-Y556 HydrophobicContact CG-CE2 3.58Å; L552-Y556 VanDerWaalsContact O-CD2 3.25Å; L552-Y556 WeakPolarHBondContact O-CD2 3.37Å; L552-Y556 PolarHBondContact O-N 2.87Å
553	A	84.7	Confident	85.5	Confident	34 Å²	34	65 Å²	65	28%	0.281	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-42.6	176.2	0	0	0	0	0	111.3	Y549 E550 Y556 C557 M597	Y549-A553 WeakPolarHBondContact O-CB 3.46Å; Y549-A553 PolarHBondContact O-N 2.99Å; E550-A553 PolarHBondContact O-N 3.42Å; A553-Y556 PolarHBondContact O-N 2.87Å; A553-C557 PolarHBondContact O-N 3.27Å; A553-C557 PolarHBondContact O-SG 3.08Å; A553-M597 HydrophobicContact CB-CE 4.37Å; A553-M597 HydrophobicContact CB-SD 4.29Å
554	N	86.7	Confident	84.5	Confident	88 Å²	88	66.3 Å²	66.3	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-42.5	174.4	-70.7	-21.4	0	0	0	112	E550 Q551 L552 C557 L558	E550-N554 VanDerWaalsContact O-CG 3.27Å; E550-N554 PolarHBondContact O-N 2.85Å; E550-N554 PolarHBondContact O-ND2 3.25Å; Q551-N554 PolarHBondContact O-N 2.98Å; L552-N554 VanDerWaalsContact C-N 3.34Å; N554-C557 WeakPolarHBondContact O-CB 3.49Å; N554-C557 PolarHBondContact O-N 3.49Å; N554-L558 WeakPolarHBondContact O-CG 3.47Å; N554-L558 PolarHBondContact O-N 3.37Å
555	F	86.4	Confident	83.4	Confident	4 Å²	4	66 Å²	66	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-45.2	175.3	177.6	-108.2	0	0	0	111.7	W529 I539 V540 Y543 Q551 L552 C557 L558 W559	W529-F555 HydrophobicContact CD2-CE2 4.23Å; W529-F555 HydrophobicContact CD2-CZ 4.37Å; W529-F555 HydrophobicContact CE3-CZ 4.47Å; W529-F555 HydrophobicContact CZ2-CE2 4.5Å; I539-F555 HydrophobicContact CB-CE1 4.26Å; I539-F555 HydrophobicContact CB-CE2 4.39Å; I539-F555 HydrophobicContact CB-CZ 4.1Å; I539-F555 HydrophobicContact CD1-CE2 3.67Å; I539-F555 HydrophobicContact CD1-CZ 3.83Å; I539-F555 HydrophobicContact CG2-CD1 3.81Å; I539-F555 HydrophobicContact CG2-CD2 3.79Å; I539-F555 HydrophobicContact CG2-CE1 3.82Å; I539-F555 HydrophobicContact CG2-CE2 3.82Å; I539-F555 HydrophobicContact CG2-CG 3.79Å; I539-F555 HydrophobicContact CG2-CZ 3.83Å; V540-F555 HydrophobicContact CG2-CD1 4.2Å; V540-F555 HydrophobicContact CG2-CE1 3.84Å; Y543-F555 HydrophobicContact CD2-CB 4.5Å; Y543-F555 HydrophobicContact CE2-CB 4.13Å; Q551-F555 WeakPolarHBondContact O-CB 3.41Å; Q551-F555 PolarHBondContact O-N 2.81Å; L552-F555 PolarHBondContact O-N 3.46Å; F555-C557 VanDerWaalsContact C-N 3.3Å; F555-C557 PolarHBondContact O-N 3.25Å; F555-L558 PolarHBondContact O-N 3.47Å; F555-W559 HydrophobicContact CD1-CE3 4.26Å; F555-W559 HydrophobicContact CE1-CD2 4.41Å; F555-W559 AromaticContact CE1-CE3 3.54Å; F555-W559 HydrophobicContact CE1-CE3 3.54Å; F555-W559 AromaticContact CE1-CZ3 3.88Å; F555-W559 HydrophobicContact CE1-CZ3 3.88Å; F555-W559 HydrophobicContact CZ-CE3 4.12Å; F555-W559 WeakPolarHBondContact O-CB 3.4Å; F555-W559 PolarHBondContact O-N 3.29Å
556	Y	86.4	Confident	82.2	Confident	84 Å²	84	68.6 Å²	68.6	33%	0.329	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-36.4	174.5	-77.4	-55.3	0	0	0	112.7	V540 L552 A553 W559 A560	V540-Y556 WeakPolarHBondContact CG1-OH 3.41Å; V540-Y556 HydrophobicContact CG2-CE1 4.35Å; L552-Y556 HydrophobicContact CD1-CD2 4.09Å; L552-Y556 HydrophobicContact CD1-CE2 3.57Å; L552-Y556 HydrophobicContact CD2-CE2 4.07Å; L552-Y556 HydrophobicContact CG-CD2 3.91Å; L552-Y556 HydrophobicContact CG-CE2 3.58Å; L552-Y556 VanDerWaalsContact O-CD2 3.25Å; L552-Y556 WeakPolarHBondContact O-CD2 3.37Å; L552-Y556 PolarHBondContact O-N 2.87Å; A553-Y556 PolarHBondContact O-N 2.87Å; Y556-W559 AromaticContact CD1-CE3 3.85Å; Y556-W559 HydrophobicContact CD1-CE3 3.85Å; Y556-W559 HydrophobicContact CD1-CZ3 4.37Å; Y556-W559 AromaticContact CE1-CE3 3.9Å; Y556-W559 HydrophobicContact CE1-CE3 3.9Å; Y556-W559 AromaticContact CE1-CZ3 3.95Å; Y556-W559 HydrophobicContact CE1-CZ3 3.95Å; Y556-W559 PolarHBondContact O-N 3.44Å; Y556-A560 WeakPolarHBondContact O-CB 3.46Å; Y556-A560 PolarHBondContact O-N 3.25Å
557	C	84.1	Confident	81	Confident	24 Å²	24	71.9 Å²	71.9	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-43.4	173.5	-70.9	0	0	0	0	112.1	A553 N554 F555 A560 K561 M597	A553-C557 PolarHBondContact O-N 3.27Å; A553-C557 PolarHBondContact O-SG 3.08Å; N554-C557 WeakPolarHBondContact O-CB 3.49Å; N554-C557 PolarHBondContact O-N 3.49Å; F555-C557 VanDerWaalsContact C-N 3.3Å; F555-C557 PolarHBondContact O-N 3.25Å; C557-A560 PolarHBondContact O-N 2.98Å; C557-K561 VanDerWaalsContact O-CG 3.31Å; C557-K561 WeakPolarHBondContact O-CG 3.37Å; C557-K561 PolarHBondContact O-N 3.36Å; C557-M597 PolarHBondContact SG-SD 3Å
558	L	84.3	Confident	79.8	Confident	88 Å²	88	74.5 Å²	74.5	46%	0.461	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-44.4	174	-72	168.8	0	0	0	111	N554 F555 A560 K561 E562	N554-L558 WeakPolarHBondContact O-CG 3.47Å; N554-L558 PolarHBondContact O-N 3.37Å; F555-L558 PolarHBondContact O-N 3.47Å; L558-A560 VanDerWaalsContact C-N 3.31Å; L558-A560 PolarHBondContact O-N 3.5Å; L558-K561 PolarHBondContact O-N 2.95Å; L558-K561 VanDerWaalsContact O-N 3.14Å; L558-E562 PolarHBondContact O-N 3.19Å
559	W	84.6	Confident	78.4	Confident	58 Å²	58	82.1 Å²	82.1	22%	0.22	40%	0.395	C	S	.	.	H	α-helix	trans	-58.4	-44.1	177.6	-166.5	-4.6	0	0	0	111.8	W529 V540 F555 Y556 R563	W529-W559 HydrophobicContact CH2-CB 3.94Å; W529-W559 AromaticContact CH2-CD1 3.47Å; W529-W559 VanDerWaalsContact CH2-CD1 3.47Å; W529-W559 AromaticContact CH2-CG 3.79Å; W529-W559 HydrophobicContact CH2-CG 3.79Å; W529-W559 HydrophobicContact CZ3-CB 4.41Å; W529-W559 AromaticContact CZ3-CD1 3.35Å; W529-W559 HydrophobicContact CZ3-CD2 4.22Å; W529-W559 AromaticContact CZ3-CG 3.8Å; W529-W559 HydrophobicContact CZ3-CG 3.8Å; W529-W559 AromaticContact CZ3-NE1 3.54Å; V540-W559 HydrophobicContact CG2-CZ3 4.03Å; F555-W559 HydrophobicContact CD1-CE3 4.26Å; F555-W559 HydrophobicContact CE1-CD2 4.41Å; F555-W559 AromaticContact CE1-CE3 3.54Å; F555-W559 HydrophobicContact CE1-CE3 3.54Å; F555-W559 AromaticContact CE1-CZ3 3.88Å; F555-W559 HydrophobicContact CE1-CZ3 3.88Å; F555-W559 HydrophobicContact CZ-CE3 4.12Å; F555-W559 WeakPolarHBondContact O-CB 3.4Å; F555-W559 PolarHBondContact O-N 3.29Å; Y556-W559 AromaticContact CD1-CE3 3.85Å; Y556-W559 HydrophobicContact CD1-CE3 3.85Å; Y556-W559 HydrophobicContact CD1-CZ3 4.37Å; Y556-W559 AromaticContact CE1-CE3 3.9Å; Y556-W559 HydrophobicContact CE1-CE3 3.9Å; Y556-W559 AromaticContact CE1-CZ3 3.95Å; Y556-W559 HydrophobicContact CE1-CZ3 3.95Å; Y556-W559 PolarHBondContact O-N 3.44Å; W559-R563 VanDerWaalsContact O-CB 3.29Å; W559-R563 WeakPolarHBondContact O-CB 3.44Å; W559-R563 PolarHBondContact O-N 2.89Å
560	A	78.3	Confident	77.1	Confident	11 Å²	11	76.7 Å²	76.7	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-61.8	-47.9	174.8	0	0	0	0	0	112.2	Y556 C557 L558 R563 M564 I604	Y556-A560 WeakPolarHBondContact O-CB 3.46Å; Y556-A560 PolarHBondContact O-N 3.25Å; C557-A560 PolarHBondContact O-N 2.98Å; L558-A560 VanDerWaalsContact C-N 3.31Å; L558-A560 PolarHBondContact O-N 3.5Å; A560-R563 PolarHBondContact O-N 3.45Å; A560-M564 HydrophobicContact CB-CE 4.19Å; A560-M564 WeakPolarHBondContact O-CG 3.34Å; A560-M564 PolarHBondContact O-N 3.48Å; A560-I604 HydrophobicContact CB-CD1 3.33Å; A560-I604 HydrophobicContact CB-CG1 4.04Å
561	K	79.8	Confident	75.7	Confident	133 Å²	133	76.4 Å²	76.4	58%	0.578	37%	0.369	S	S	*	.	H	α-helix	trans	-59.6	-46.9	180	-75.8	174.7	179.2	-176.9	0	112.3	C557 L558 M564 L565	C557-K561 VanDerWaalsContact O-CG 3.31Å; C557-K561 WeakPolarHBondContact O-CG 3.37Å; C557-K561 PolarHBondContact O-N 3.36Å; L558-K561 PolarHBondContact O-N 2.95Å; L558-K561 VanDerWaalsContact O-N 3.14Å; K561-M564 WeakPolarHBondContact O-CB 3.24Å; K561-M564 PolarHBondContact O-N 3.44Å; K561-L565 WeakPolarHBondContact O-CG 3.45Å; K561-L565 PolarHBondContact O-N 3.46Å; K561-L565 VanDerWaalsContact O-N 3.11Å
562	E	76.2	Confident	74.3	Confident	72 Å²	72	76.3 Å²	76.3	34%	0.336	38%	0.38	S	S	.	.	H	α-helix	trans	-72.6	-35.6	-178.6	-70.5	-173.7	166.7	0	0	112.6	W529 H530 L558 M564 L565 M566	W529-E562 HydrophobicContact CH2-CB 4.46Å; W529-E562 WeakPolarHBondContact CZ2-OE2 3.43Å; H530-E562 IonicContact CD2-OE2 3.59Å; H530-E562 IonicContact CE1-OE2 3.63Å; H530-E562 IonicContact NE2-OE2 2.66Å; H530-E562 PolarHBondContact NE2-OE2 3.47Å; L558-E562 PolarHBondContact O-N 3.19Å; E562-M564 VanDerWaalsContact C-N 3.27Å; E562-M564 PolarHBondContact O-N 2.95Å; E562-L565 WeakPolarHBondContact O-CB 3.33Å; E562-L565 PolarHBondContact O-N 3.12Å; E562-L565 VanDerWaalsContact O-N 3.09Å; E562-M566 PolarHBondContact O-N 2.96Å
563	R	72.6	Confident	72.9	Confident	94 Å²	94	82 Å²	82	36%	0.355	41%	0.406	S	S	.	.	H	α-helix	trans	-64.7	-32.3	172.3	-169.8	170	179.9	148.7	-5.1	112.4	W559 A560 N567 L570 H608	W559-R563 VanDerWaalsContact O-CB 3.29Å; W559-R563 WeakPolarHBondContact O-CB 3.44Å; W559-R563 PolarHBondContact O-N 2.89Å; A560-R563 PolarHBondContact O-N 3.45Å; R563-N567 WeakPolarHBondContact O-CB 3.38Å; R563-N567 PolarHBondContact O-N 3.23Å; R563-L570 HydrophobicContact CG-CD1 4.49Å; R563-H608 PolarHBondContact NH1-CE1 2.93Å
564	M	70	Confident	71.6	Confident	38 Å²	38	82 Å²	82	19%	0.187	40%	0.4	C	S	.	.	H	α-helix	trans	-67.9	-35.3	171.2	-69.9	171	-162.7	0	0	112.3	A560 K561 E562 L574	A560-M564 HydrophobicContact CB-CE 4.19Å; A560-M564 WeakPolarHBondContact O-CG 3.34Å; A560-M564 PolarHBondContact O-N 3.48Å; K561-M564 WeakPolarHBondContact O-CB 3.24Å; K561-M564 PolarHBondContact O-N 3.44Å; E562-M564 VanDerWaalsContact C-N 3.27Å; E562-M564 PolarHBondContact O-N 2.95Å; M564-L574 HydrophobicContact CE-CD1 3.35Å; M564-L574 HydrophobicContact CE-CD2 3.44Å; M564-L574 VanDerWaalsContact CE-CD2 3.44Å; M564-L574 HydrophobicContact CE-CG 3.98Å; M564-L574 HydrophobicContact CG-CD1 4.02Å; M564-L574 HydrophobicContact SD-CB 4.38Å; M564-L574 HydrophobicContact SD-CD1 3.64Å; M564-L574 HydrophobicContact SD-CD2 3.46Å; M564-L574 WeakPolarHBondContact SD-CD2 3.45Å; M564-L574 HydrophobicContact SD-CG 3.97Å
565	L	68.4	Low	70.3	Confident	109 Å²	109	81.9 Å²	81.9	57%	0.571	41%	0.405	S	S	*	.	H	α-helix	trans	-70.4	-42.3	177.1	-72.5	166.8	0	0	0	112.2	K561 E562 N567	K561-L565 WeakPolarHBondContact O-CG 3.45Å; K561-L565 PolarHBondContact O-N 3.46Å; K561-L565 VanDerWaalsContact O-N 3.11Å; E562-L565 WeakPolarHBondContact O-CB 3.33Å; E562-L565 PolarHBondContact O-N 3.12Å; E562-L565 VanDerWaalsContact O-N 3.09Å; L565-N567 VanDerWaalsContact C-N 3.34Å; L565-N567 PolarHBondContact O-N 3.02Å
566	M	64.5	Low	68.8	Low	145 Å²	145	89.5 Å²	89.5	71%	0.714	44%	0.439	S	S	*	.	H	α-helix	trans	-70.7	-27.1	-180	-73.9	-71.9	-156.4	0	0	113.6	E562	E562-M566 PolarHBondContact O-N 2.96Å
567	N	66.1	Low	67.4	Low	70 Å²	70	92.6 Å²	92.6	37%	0.374	45%	0.451	S	S	.	.			trans	-114.3	95.5	-172.4	-154.7	-37.2	0	0	0	110.1	R563 L565 K569 L570 R571	R563-N567 WeakPolarHBondContact O-CB 3.38Å; R563-N567 PolarHBondContact O-N 3.23Å; L565-N567 VanDerWaalsContact C-N 3.34Å; L565-N567 PolarHBondContact O-N 3.02Å; N567-K569 PolarHBondContact O-N 2.87Å; N567-L570 HydrophobicContact CB-CB 4.18Å; N567-L570 HydrophobicContact CB-CD1 3.75Å; N567-L570 HydrophobicContact CB-CG 4.44Å; N567-L570 WeakPolarHBondContact O-CB 3.45Å; N567-L570 PolarHBondContact O-N 2.87Å; N567-R571 PolarHBondContact O-N 3.49Å; N567-R571 VanDerWaalsContact O-N 3.15Å
568	V	63.2	Low	66.1	Low	120 Å²	120	96.8 Å²	96.8	73%	0.727	47%	0.467	S	S	*	.	H	α-helix	trans	-48.9	-35.2	-178.3	-177.9	0	0	0	0	112.1	R571 A572	V568-R571 PolarHBondContact O-N 3.25Å; V568-A572 PolarHBondContact O-N 3.11Å
569	K	60	Low	64.6	Low	165 Å²	165	96.5 Å²	96.5	72%	0.717	47%	0.472	S	S	*	.	H	α-helix	trans	-67.4	-37.2	177.6	-67.2	-178.5	178.2	177	0	113.2	N567 H573	N567-K569 PolarHBondContact O-N 2.87Å; K569-H573 PolarHBondContact O-CD2 3.43Å; K569-H573 VanDerWaalsContact O-CD2 3.3Å; K569-H573 PolarHBondContact O-N 3.48Å
570	L	60.4	Low	63.1	Low	42 Å²	42	96.1 Å²	96.1	22%	0.22	48%	0.478	C	S	.	.	H	α-helix	trans	-74.1	-35.7	177.4	-85.7	150.9	0	0	0	111.8	R563 N567 A572 H573 L574	R563-L570 HydrophobicContact CG-CD1 4.49Å; N567-L570 HydrophobicContact CB-CB 4.18Å; N567-L570 HydrophobicContact CB-CD1 3.75Å; N567-L570 HydrophobicContact CB-CG 4.44Å; N567-L570 WeakPolarHBondContact O-CB 3.45Å; N567-L570 PolarHBondContact O-N 2.87Å; L570-A572 VanDerWaalsContact C-N 3.34Å; L570-A572 PolarHBondContact O-N 3.08Å; L570-H573 PolarHBondContact O-N 3.5Å; L570-L574 PolarHBondContact O-N 2.96Å
571	R	57.1	Low	61.9	Low	144 Å²	144	99.9 Å²	99.9	54%	0.543	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-43.1	175.2	-163.9	173.3	179.2	168.7	-1.1	112.1	N567 V568 L574 C575	N567-R571 PolarHBondContact O-N 3.49Å; N567-R571 VanDerWaalsContact O-N 3.15Å; V568-R571 PolarHBondContact O-N 3.25Å; R571-L574 PolarHBondContact O-N 3.45Å; R571-C575 PolarHBondContact O-N 3.03Å
572	A	58.2	Low	60.5	Low	65 Å²	65	100.1 Å²	100.1	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-44.5	176.4	0	0	0	0	0	112.3	V568 L570 L574 C575 F576	V568-A572 PolarHBondContact O-N 3.11Å; L570-A572 VanDerWaalsContact C-N 3.34Å; L570-A572 PolarHBondContact O-N 3.08Å; A572-L574 VanDerWaalsContact C-N 3.34Å; A572-L574 PolarHBondContact O-N 3.07Å; A572-C575 PolarHBondContact O-N 3.46Å; A572-F576 PolarHBondContact O-N 2.92Å
573	H	60	Low	59.4	Low	135 Å²	135	100.2 Å²	100.2	63%	0.625	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-35.2	178.1	-83.9	-59.9	0	0	0	113.2	K569 L570 Y577	K569-H573 PolarHBondContact O-CD2 3.43Å; K569-H573 VanDerWaalsContact O-CD2 3.3Å; K569-H573 PolarHBondContact O-N 3.48Å; L570-H573 PolarHBondContact O-N 3.5Å; H573-Y577 PolarHBondContact O-N 3.25Å
574	L	57.3	Low	58.5	Low	33 Å²	33	100.6 Å²	100.6	17%	0.173	52%	0.515	C	S	.	.	H	α-helix	trans	-80.8	-31.6	177.4	-104.9	106.3	0	0	0	114.6	M564 L570 R571 A572 F576 Y577 F578	M564-L574 HydrophobicContact CE-CD1 3.35Å; M564-L574 HydrophobicContact CE-CD2 3.44Å; M564-L574 VanDerWaalsContact CE-CD2 3.44Å; M564-L574 HydrophobicContact CE-CG 3.98Å; M564-L574 HydrophobicContact CG-CD1 4.02Å; M564-L574 HydrophobicContact SD-CB 4.38Å; M564-L574 HydrophobicContact SD-CD1 3.64Å; M564-L574 HydrophobicContact SD-CD2 3.46Å; M564-L574 WeakPolarHBondContact SD-CD2 3.45Å; M564-L574 HydrophobicContact SD-CG 3.97Å; L570-L574 PolarHBondContact O-N 2.96Å; R571-L574 PolarHBondContact O-N 3.45Å; A572-L574 VanDerWaalsContact C-N 3.34Å; A572-L574 PolarHBondContact O-N 3.07Å; L574-F576 PolarHBondContact O-N 3.45Å; L574-Y577 PolarHBondContact O-N 2.91Å; L574-F578 HydrophobicContact CD2-CD2 3.77Å; L574-F578 HydrophobicContact CD2-CE2 3.55Å; L574-F578 WeakPolarHBondContact O-CB 3.13Å; L574-F578 PolarHBondContact O-N 3.46Å
575	C	57.9	Low	57.5	Low	85 Å²	85	103.2 Å²	103.2	57%	0.574	53%	0.527	S	S	*	.	H	α-helix	trans	-59.2	-38.7	169.3	-80.7	0	0	0	0	110.9	R571 A572 S579	R571-C575 PolarHBondContact O-N 3.03Å; A572-C575 PolarHBondContact O-N 3.46Å; C575-S579 VanDerWaalsContact O-CB 3.27Å; C575-S579 WeakPolarHBondContact O-CB 3.47Å; C575-S579 PolarHBondContact O-N 3.22Å
576	F	56.6	Low	56.6	Low	164 Å²	164	107.8 Å²	107.8	72%	0.719	54%	0.542	S	S	*	.	H	α-helix	trans	-63.4	-45	174.1	-151	-89.6	0	0	0	111.6	A572 L574 S580	A572-F576 PolarHBondContact O-N 2.92Å; L574-F576 PolarHBondContact O-N 3.45Å; F576-S580 PolarHBondContact O-N 2.83Å; F576-S580 VanDerWaalsContact O-N 3.09Å; F576-S580 PolarHBondContact O-OG 2.82Å
577	Y	56.7	Low	56	Low	149 Å²	149	104.9 Å²	104.9	58%	0.584	54%	0.536	S	S	*	.	H	α-helix	trans	-69.8	-40.3	179.5	-109	-88.1	0	0	0	113.7	H573 L574 S580 Y581	H573-Y577 PolarHBondContact O-N 3.25Å; L574-Y577 PolarHBondContact O-N 2.91Å; Y577-S580 VanDerWaalsContact C-OG 3.3Å; Y577-S580 VanDerWaalsContact CA-OG 3.28Å; Y577-S580 WeakPolarHBondContact CA-OG 3.36Å; Y577-S580 CarbonylContact O-C 3.48Å; Y577-S580 PolarHBondContact O-N 2.99Å; Y577-S580 PolarHBondContact O-OG 3.04Å; Y577-Y581 WeakPolarHBondContact O-CB 3.17Å; Y577-Y581 PolarHBondContact O-N 3.37Å
578	F	56.5	Low	54.9	Low	112 Å²	112	107.6 Å²	107.6	49%	0.491	55%	0.547	S	S	.	.	H	α-helix	trans	-67.8	-38.9	175.6	-96.4	-78	0	0	0	111.5	L574 S580 Y581 E582	L574-F578 HydrophobicContact CD2-CD2 3.77Å; L574-F578 HydrophobicContact CD2-CE2 3.55Å; L574-F578 WeakPolarHBondContact O-CB 3.13Å; L574-F578 PolarHBondContact O-N 3.46Å; F578-S580 VanDerWaalsContact C-N 3.28Å; F578-S580 PolarHBondContact O-N 2.98Å; F578-Y581 PolarHBondContact O-N 3.03Å; F578-Y581 VanDerWaalsContact O-N 3.11Å; F578-E582 WeakPolarHBondContact O-CB 3.49Å; F578-E582 PolarHBondContact O-N 3.3Å
579	S	51.9	Low	53.8	Low	83 Å²	83	112.4 Å²	112.4	58%	0.58	56%	0.558	S	S	*	*	H	α-helix	trans	-63	-36.7	173.6	-164.3	0	0	0	0	111.6	C575 A583	C575-S579 VanDerWaalsContact O-CB 3.27Å; C575-S579 WeakPolarHBondContact O-CB 3.47Å; C575-S579 PolarHBondContact O-N 3.22Å; S579-A583 WeakPolarHBondContact O-CB 3.39Å; S579-A583 PolarHBondContact O-N 3.36Å
580	S	53.7	Low	53.1	Low	49 Å²	49	108.5 Å²	108.5	34%	0.343	55%	0.547	S	S	.	.	H	α-helix	trans	-73	-31.3	171.5	54.8	0	0	0	0	113.6	F576 Y577 F578 I584	F576-S580 PolarHBondContact O-N 2.83Å; F576-S580 VanDerWaalsContact O-N 3.09Å; F576-S580 PolarHBondContact O-OG 2.82Å; Y577-S580 VanDerWaalsContact C-OG 3.3Å; Y577-S580 VanDerWaalsContact CA-OG 3.28Å; Y577-S580 WeakPolarHBondContact CA-OG 3.36Å; Y577-S580 CarbonylContact O-C 3.48Å; Y577-S580 PolarHBondContact O-N 2.99Å; Y577-S580 PolarHBondContact O-OG 3.04Å; F578-S580 VanDerWaalsContact C-N 3.28Å; F578-S580 PolarHBondContact O-N 2.98Å; S580-I584 VanDerWaalsContact O-CD1 3.32Å; S580-I584 WeakPolarHBondContact O-CD1 3.44Å; S580-I584 WeakPolarHBondContact O-CG1 3.4Å; S580-I584 PolarHBondContact O-N 3.13Å
581	Y	53.4	Low	52.2	Low	91 Å²	91	114.7 Å²	114.7	36%	0.357	58%	0.581	S	S	.	*	H	α-helix	trans	-78.1	-39.5	-179.5	-163.7	-95.1	0	0	0	112.3	Y577 F578 A583 I584 H585	Y577-Y581 WeakPolarHBondContact O-CB 3.17Å; Y577-Y581 PolarHBondContact O-N 3.37Å; F578-Y581 PolarHBondContact O-N 3.03Å; F578-Y581 VanDerWaalsContact O-N 3.11Å; Y581-A583 VanDerWaalsContact C-N 3.29Å; Y581-A583 PolarHBondContact O-N 2.7Å; Y581-I584 PolarHBondContact O-N 3.09Å; Y581-I584 VanDerWaalsContact O-N 3.14Å; Y581-H585 HydrophobicContact CD1-CB 4.46Å; Y581-H585 HydrophobicContact CE1-CB 4.42Å; Y581-H585 AromaticContact CE1-CD2 3.62Å; Y581-H585 VanDerWaalsContact O-CB 3.31Å; Y581-H585 WeakPolarHBondContact O-CB 3.48Å; Y581-H585 PolarHBondContact O-N 3.41Å
582	E	50.7	Low	51.9	Low	137 Å²	137	109.6 Å²	109.6	64%	0.64	57%	0.567	S	S	*	*	H	α-helix	trans	-61.8	-37.3	170.7	-77.7	-175.8	160	0	0	111.4	F578 I584 F586	F578-E582 WeakPolarHBondContact O-CB 3.49Å; F578-E582 PolarHBondContact O-N 3.3Å; E582-I584 VanDerWaalsContact C-N 3.3Å; E582-I584 PolarHBondContact O-N 2.89Å; E582-F586 PolarHBondContact O-N 3.44Å
583	A	52.4	Low	51.4	Low	74 Å²	74	115.6 Å²	115.6	61%	0.612	58%	0.581	S	S	*	*	H	α-helix	trans	-63.8	-32.8	173.1	0	0	0	0	0	113	S579 Y581	S579-A583 WeakPolarHBondContact O-CB 3.39Å; S579-A583 PolarHBondContact O-N 3.36Å; Y581-A583 VanDerWaalsContact C-N 3.29Å; Y581-A583 PolarHBondContact O-N 2.7Å
584	I	54	Low	50.8	Low	103 Å²	103	116.4 Å²	116.4	53%	0.528	59%	0.59	S	S	.	*	H	α-helix	trans	-84.4	-37.9	178.9	-65.9	164	0	0	0	111.3	S580 Y581 E582 F586 S587	S580-I584 VanDerWaalsContact O-CD1 3.32Å; S580-I584 WeakPolarHBondContact O-CD1 3.44Å; S580-I584 WeakPolarHBondContact O-CG1 3.4Å; S580-I584 PolarHBondContact O-N 3.13Å; Y581-I584 PolarHBondContact O-N 3.09Å; Y581-I584 VanDerWaalsContact O-N 3.14Å; E582-I584 VanDerWaalsContact C-N 3.3Å; E582-I584 PolarHBondContact O-N 2.89Å; I584-F586 VanDerWaalsContact C-N 3.34Å; I584-F586 PolarHBondContact O-N 3.37Å; I584-S587 WeakPolarHBondContact O-CB 3.18Å; I584-S587 PolarHBondContact O-N 3.19Å; I584-S587 VanDerWaalsContact O-N 3.08Å; I584-S587 PolarHBondContact O-OG 3.21Å
585	H	49.7	Very low	50.6	Low	93 Å²	93	118.9 Å²	118.9	43%	0.431	61%	0.606	S	S	.	*	H	α-helix	trans	-76.4	-19.6	-176.2	-152.9	-69.4	0	0	0	113.2	Y581 S587	Y581-H585 HydrophobicContact CD1-CB 4.46Å; Y581-H585 HydrophobicContact CE1-CB 4.42Å; Y581-H585 AromaticContact CE1-CD2 3.62Å; Y581-H585 VanDerWaalsContact O-CB 3.31Å; Y581-H585 WeakPolarHBondContact O-CB 3.48Å; Y581-H585 PolarHBondContact O-N 3.41Å; H585-S587 PolarHBondContact O-N 3.04Å
586	F	48.8	Very low	50.4	Low	204 Å²	204	117 Å²	117	90%	0.895	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-16.4	167.7	-141.3	-91	0	0	0	112.4	E582 I584	E582-F586 PolarHBondContact O-N 3.44Å; I584-F586 VanDerWaalsContact C-N 3.34Å; I584-F586 PolarHBondContact O-N 3.37Å
587	S	50.9	Low	50.2	Low	84 Å²	84	112.2 Å²	112.2	59%	0.587	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-14.5	-177.5	80.1	0	0	0	0	115	I584 H585	I584-S587 WeakPolarHBondContact O-CB 3.18Å; I584-S587 PolarHBondContact O-N 3.19Å; I584-S587 VanDerWaalsContact O-N 3.08Å; I584-S587 PolarHBondContact O-OG 3.21Å; H585-S587 PolarHBondContact O-N 3.04Å
588	Q	44.1	Very low	49.9	Very low	127 Å²	127	111.6 Å²	111.6	59%	0.593	58%	0.576	S	S	*	*			trans	-141.6	107.6	-174.6	-70	-176.8	-11.2	0	0	111.3	V590	Q588-V590 VanDerWaalsContact C-N 3.34Å; Q588-V590 HydrophobicContact CB-CG2 4.3Å; Q588-V590 PolarHBondContact O-N 3.29Å
589	K	38.7	Very low	50	Low	221 Å²	221	108.2 Å²	108.2	96%	0.961	57%	0.569	S	S	*	*			trans	-65.7	89	166.8	-84.7	-178.6	173.9	177.8	0	109.1
590	V	46.4	Very low	50.3	Low	83 Å²	83	107.1 Å²	107.1	50%	0.503	56%	0.556	S	S	.	*			trans	-130.8	111.9	172.8	-177.4	0	0	0	0	109.9	Q588 S592	Q588-V590 VanDerWaalsContact C-N 3.34Å; Q588-V590 HydrophobicContact CB-CG2 4.3Å; Q588-V590 PolarHBondContact O-N 3.29Å; V590-S592 PolarHBondContact O-N 3.39Å; V590-S592 VanDerWaalsContact O-N 3.1Å
591	D	42.2	Very low	50.5	Low	172 Å²	172	107.7 Å²	107.7	92%	0.92	56%	0.557	S	S	*	*			trans	-63.5	100	172.7	-79.4	-46.3	0	0	0	110.6
592	S	49.1	Very low	50.6	Low	37 Å²	37	106.1 Å²	106.1	26%	0.259	56%	0.559	S	S	.	*			trans	-155.3	80.7	174	68.4	0	0	0	0	115.3	V590 L594 V595	V590-S592 PolarHBondContact O-N 3.39Å; V590-S592 VanDerWaalsContact O-N 3.1Å; S592-L594 PolarHBondContact O-N 3.17Å; S592-L594 VanDerWaalsContact O-N 3.12Å; S592-V595 PolarHBondContact O-N 3.09Å; S592-V595 WeakPolarHBondContact OG-CB 3.38Å; S592-V595 WeakPolarHBondContact OG-CG2 3.43Å
593	K	48.8	Very low	51.1	Low	192 Å²	192	102.4 Å²	102.4	84%	0.835	54%	0.543	S	S	*	.	H	α-helix	trans	-54.7	-26.1	162	-81	179.5	176.9	175.1	0	112.4	S596	K593-S596 PolarHBondContact O-OG 2.92Å
594	L	46.9	Very low	51.3	Low	152 Å²	152	101.3 Å²	101.3	80%	0.796	53%	0.526	S	S	*	.	H	α-helix	trans	-75.2	-35.8	-180	-127	83.3	0	0	0	114.4	S592 H598	S592-L594 PolarHBondContact O-N 3.17Å; S592-L594 VanDerWaalsContact O-N 3.12Å; L594-H598 PolarHBondContact O-N 2.9Å
595	V	52.9	Low	51.4	Low	84 Å²	84	101.8 Å²	101.8	51%	0.509	53%	0.529	S	S	.	.	H	α-helix	trans	-75.6	-33.9	-177.5	177.6	0	0	0	0	110.7	S592 M597 H598 A599	S592-V595 PolarHBondContact O-N 3.09Å; S592-V595 WeakPolarHBondContact OG-CB 3.38Å; S592-V595 WeakPolarHBondContact OG-CG2 3.43Å; V595-M597 PolarHBondContact O-N 3.19Å; V595-H598 PolarHBondContact O-N 3.37Å; V595-A599 PolarHBondContact O-N 3.4Å; V595-A599 VanDerWaalsContact O-N 3.12Å
596	S	55	Low	51.7	Low	45 Å²	45	103.1 Å²	103.1	32%	0.315	54%	0.536	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.5	73.2	0	0	0	0	112.8	K593 I600	K593-S596 PolarHBondContact O-OG 2.92Å; S596-I600 WeakPolarHBondContact O-CB 3.45Å; S596-I600 WeakPolarHBondContact O-CD1 3.3Å; S596-I600 WeakPolarHBondContact O-CG1 3.23Å; S596-I600 PolarHBondContact O-N 2.97Å; S596-I600 VanDerWaalsContact O-N 3.11Å
597	M	51.7	Low	52	Low	64 Å²	64	96.2 Å²	96.2	32%	0.315	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-43.4	177.9	-81.3	-97.5	-159.5	0	0	111.9	A553 C557 V595 I600 V601	A553-M597 HydrophobicContact CB-CE 4.37Å; A553-M597 HydrophobicContact CB-SD 4.29Å; C557-M597 PolarHBondContact SG-SD 3Å; V595-M597 PolarHBondContact O-N 3.19Å; M597-I600 PolarHBondContact O-N 3.02Å; M597-V601 VanDerWaalsContact O-CG2 3.26Å; M597-V601 WeakPolarHBondContact O-CG2 3.35Å; M597-V601 PolarHBondContact O-N 2.91Å
598	H	51.1	Low	51.9	Low	136 Å²	136	96.6 Å²	96.6	63%	0.63	50%	0.504	S	S	*	.	H	α-helix	trans	-66.3	-42.6	-178.8	-150.1	83.1	0	0	0	111.8	L594 V595 V601 C602	L594-H598 PolarHBondContact O-N 2.9Å; V595-H598 PolarHBondContact O-N 3.37Å; H598-V601 PolarHBondContact O-N 3.01Å; H598-C602 PolarHBondContact O-N 3.24Å; H598-C602 PolarHBondContact O-SG 3.1Å; H598-C602 VanDerWaalsContact O-SG 3.32Å
599	A	57.4	Low	52	Low	41 Å²	41	93.4 Å²	93.4	34%	0.339	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-43.4	176.4	0	0	0	0	0	112.2	V595 C602 I603	V595-A599 PolarHBondContact O-N 3.4Å; V595-A599 VanDerWaalsContact O-N 3.12Å; A599-C602 PolarHBondContact O-N 2.87Å; A599-I603 WeakPolarHBondContact O-CD1 3.37Å; A599-I603 VanDerWaalsContact O-CG1 3.25Å; A599-I603 WeakPolarHBondContact O-CG1 3.21Å; A599-I603 PolarHBondContact O-N 3.28Å
600	I	59.1	Low	52.3	Low	60 Å²	60	92.1 Å²	92.1	31%	0.308	49%	0.485	S	S	.	.	H	α-helix	trans	-63.1	-44.1	177.9	-69.2	166.1	0	0	0	110.9	S596 M597 I603 I604	S596-I600 WeakPolarHBondContact O-CB 3.45Å; S596-I600 WeakPolarHBondContact O-CD1 3.3Å; S596-I600 WeakPolarHBondContact O-CG1 3.23Å; S596-I600 PolarHBondContact O-N 2.97Å; S596-I600 VanDerWaalsContact O-N 3.11Å; M597-I600 PolarHBondContact O-N 3.02Å; I600-I603 PolarHBondContact O-N 2.92Å; I600-I604 HydrophobicContact CG2-CD1 3.65Å; I600-I604 HydrophobicContact CG2-CG1 4.48Å; I600-I604 VanDerWaalsContact O-CD1 3.28Å; I600-I604 WeakPolarHBondContact O-CD1 3.32Å; I600-I604 WeakPolarHBondContact O-CG1 3.11Å; I600-I604 PolarHBondContact O-N 3.2Å
601	V	56.6	Low	52.3	Low	62 Å²	62	90.8 Å²	90.8	38%	0.376	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-42.9	177.2	171.3	0	0	0	0	111.7	M597 H598 I603 I604 L605	M597-V601 VanDerWaalsContact O-CG2 3.26Å; M597-V601 WeakPolarHBondContact O-CG2 3.35Å; M597-V601 PolarHBondContact O-N 2.91Å; H598-V601 PolarHBondContact O-N 3.01Å; V601-I603 PolarHBondContact O-N 3.49Å; V601-I604 PolarHBondContact O-N 2.8Å; V601-L605 HydrophobicContact CG1-CD1 3.88Å; V601-L605 HydrophobicContact CG1-CG 4.44Å; V601-L605 WeakPolarHBondContact O-CB 3.4Å; V601-L605 WeakPolarHBondContact O-CG 3.45Å; V601-L605 PolarHBondContact O-N 2.79Å
602	C	57.1	Low	52.3	Low	57 Å²	57	86.3 Å²	86.3	39%	0.385	46%	0.462	S	S	.	.	H	α-helix	trans	-61.1	-42.3	176	-73.2	0	0	0	0	112.5	H598 A599 L605 Q606	H598-C602 PolarHBondContact O-N 3.24Å; H598-C602 PolarHBondContact O-SG 3.1Å; H598-C602 VanDerWaalsContact O-SG 3.32Å; A599-C602 PolarHBondContact O-N 2.87Å; C602-L605 PolarHBondContact O-N 3.2Å; C602-Q606 PolarHBondContact O-N 3.04Å
603	I	60.5	Low	52.1	Low	60 Å²	60	93 Å²	93	31%	0.308	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-42.9	178.2	-67.8	165.1	0	0	0	110.7	A599 I600 V601 L605 Q606 C607	A599-I603 WeakPolarHBondContact O-CD1 3.37Å; A599-I603 VanDerWaalsContact O-CG1 3.25Å; A599-I603 WeakPolarHBondContact O-CG1 3.21Å; A599-I603 PolarHBondContact O-N 3.28Å; I600-I603 PolarHBondContact O-N 2.92Å; V601-I603 PolarHBondContact O-N 3.49Å; I603-L605 PolarHBondContact O-N 3.36Å; I603-Q606 PolarHBondContact O-N 3.46Å; I603-C607 WeakPolarHBondContact O-CB 3.47Å; I603-C607 PolarHBondContact O-N 3.19Å; I603-C607 PolarHBondContact O-SG 3.4Å; I603-C607 VanDerWaalsContact O-SG 3.39Å
604	I	57.3	Low	51.9	Low	51 Å²	51	94.1 Å²	94.1	26%	0.262	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-42.8	178.3	-65.5	157.4	0	0	0	111.2	A560 I600 V601 C607 H608	A560-I604 HydrophobicContact CB-CD1 3.33Å; A560-I604 HydrophobicContact CB-CG1 4.04Å; I600-I604 HydrophobicContact CG2-CD1 3.65Å; I600-I604 HydrophobicContact CG2-CG1 4.48Å; I600-I604 VanDerWaalsContact O-CD1 3.28Å; I600-I604 WeakPolarHBondContact O-CD1 3.32Å; I600-I604 WeakPolarHBondContact O-CG1 3.11Å; I600-I604 PolarHBondContact O-N 3.2Å; V601-I604 PolarHBondContact O-N 2.8Å; I604-C607 PolarHBondContact O-N 3.03Å; I604-H608 PolarHBondContact O-N 2.84Å
605	L	54.9	Low	51.5	Low	113 Å²	113	94 Å²	94	59%	0.592	49%	0.486	S	S	*	.	H	α-helix	trans	-65.3	-40.4	177.4	-73	169.9	0	0	0	111.8	V601 C602 I603 H608 S609	V601-L605 HydrophobicContact CG1-CD1 3.88Å; V601-L605 HydrophobicContact CG1-CG 4.44Å; V601-L605 WeakPolarHBondContact O-CB 3.4Å; V601-L605 WeakPolarHBondContact O-CG 3.45Å; V601-L605 PolarHBondContact O-N 2.79Å; C602-L605 PolarHBondContact O-N 3.2Å; I603-L605 PolarHBondContact O-N 3.36Å; L605-H608 PolarHBondContact O-N 3.45Å; L605-S609 PolarHBondContact O-N 3.27Å
606	Q	56.1	Low	50.5	Low	121 Å²	121	99.8 Å²	99.8	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-40	174.1	-91.5	170.2	-36	0	0	112.2	C602 I603 S609 R610	C602-Q606 PolarHBondContact O-N 3.04Å; I603-Q606 PolarHBondContact O-N 3.46Å; Q606-S609 PolarHBondContact O-N 3.14Å; Q606-S609 PolarHBondContact O-OG 3.5Å; Q606-R610 WeakPolarHBondContact O-CG 3.46Å; Q606-R610 PolarHBondContact O-N 3.18Å
607	C	55.1	Low	50.3	Low	59 Å²	59	102.5 Å²	102.5	40%	0.399	52%	0.523	S	S	.	.	H	α-helix	trans	-66.8	-39.3	175.1	-73.9	0	0	0	0	112.9	I603 I604 R610 S611	I603-C607 WeakPolarHBondContact O-CB 3.47Å; I603-C607 PolarHBondContact O-N 3.19Å; I603-C607 PolarHBondContact O-SG 3.4Å; I603-C607 VanDerWaalsContact O-SG 3.39Å; I604-C607 PolarHBondContact O-N 3.03Å; C607-R610 PolarHBondContact O-N 3.2Å; C607-S611 PolarHBondContact O-N 2.87Å; C607-S611 VanDerWaalsContact O-N 3.07Å
608	H	48.8	Very low	50.2	Low	91 Å²	91	104.5 Å²	104.5	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-64.3	-42.9	174.5	-112.3	76.3	0	0	0	112.2	R563 I604 L605 R610 S611 S612	R563-H608 PolarHBondContact NH1-CE1 2.93Å; I604-H608 PolarHBondContact O-N 2.84Å; L605-H608 PolarHBondContact O-N 3.45Å; H608-R610 PolarHBondContact O-N 2.61Å; H608-S611 PolarHBondContact O-N 3.49Å; H608-S612 PolarHBondContact O-N 3.11Å
609	S	46.6	Very low	50.2	Low	61 Å²	61	102.8 Å²	102.8	43%	0.427	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-29.2	178.2	81.3	0	0	0	0	112.8	L605 Q606 K613	L605-S609 PolarHBondContact O-N 3.27Å; Q606-S609 PolarHBondContact O-N 3.14Å; Q606-S609 PolarHBondContact O-OG 3.5Å; S609-K613 WeakPolarHBondContact O-CG 3.35Å
610	R	45.3	Very low	49.8	Very low	193 Å²	193	106.4 Å²	106.4	73%	0.728	54%	0.54	S	S	*	.	H	α-helix	trans	-85.3	-25.5	178.8	-75.3	-177.8	174.7	-176.4	-0.6	113.8	Q606 C607 H608	Q606-R610 WeakPolarHBondContact O-CG 3.46Å; Q606-R610 PolarHBondContact O-N 3.18Å; C607-R610 PolarHBondContact O-N 3.2Å; H608-R610 PolarHBondContact O-N 2.61Å
611	S	45.8	Very low	49.2	Very low	55 Å²	55	109.3 Å²	109.3	39%	0.385	56%	0.555	S	S	.	*	H	α-helix	trans	-84.6	-31.5	174.3	88.2	0	0	0	0	112.5	C607 H608 K613 R614	C607-S611 PolarHBondContact O-N 2.87Å; C607-S611 VanDerWaalsContact O-N 3.07Å; H608-S611 PolarHBondContact O-N 3.49Å; S611-K613 VanDerWaalsContact C-N 3.3Å; S611-K613 PolarHBondContact O-N 2.78Å; S611-R614 PolarHBondContact O-N 3.23Å
612	S	42.5	Very low	48.7	Very low	79 Å²	79	112.5 Å²	112.5	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-68.2	-29.4	175.1	-164.5	0	0	0	0	112.5	H608 R614	H608-S612 PolarHBondContact O-N 3.11Å; S612-R614 VanDerWaalsContact C-N 3.28Å; S612-R614 PolarHBondContact O-N 2.69Å
613	K	45.7	Very low	48.1	Very low	176 Å²	176	116.4 Å²	116.4	77%	0.765	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	8.8	177.5	-72.5	-176.2	176	-173.4	0	114.5	S609 S611	S609-K613 WeakPolarHBondContact O-CG 3.35Å; S611-K613 VanDerWaalsContact C-N 3.3Å; S611-K613 PolarHBondContact O-N 2.78Å
614	R	43.6	Very low	47.1	Very low	217 Å²	217	120.8 Å²	120.8	82%	0.819	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-1	179.5	-89.3	-174.8	177.4	-179.6	-0.9	113.8	S611 S612	S611-R614 PolarHBondContact O-N 3.23Å; S612-R614 VanDerWaalsContact C-N 3.28Å; S612-R614 PolarHBondContact O-N 2.69Å
615	N	38.1	Very low	46.3	Very low	150 Å²	150	126.6 Å²	126.6	80%	0.802	63%	0.629	S	S	*	*			trans	-121.6	7.8	179.3	-84.8	6	0	0	0	113.5
616	D	33.1	Very low	45.5	Very low	204 Å²	204	127.8 Å²	127.8	100%	1.091	63%	0.632	S	S	*	*			trans	-107.8	0	148	-65.6	-35.2	0	0	0	106.2

Retrieved 616 of 616 residues in 294.7 ms (Link to these results)

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