A0A3Q0KR83_SCHMA Loading...

G-protein coupled receptor,putative

AlphaFold DB , UniProt , Accession A0A3Q0KR83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 589 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	40.6	Very low	34.3	Very low	219 Å²	219	129.6 Å²	129.6	100%	1.079	65%	0.645	S	S	*	*				0	-33.2	0	-79.5	175.4	163.3	0	0	114.5	N3	M1-N3 PolarHBondContact O-N 3.18Å
2	N	39.1	Very low	34.2	Very low	143 Å²	143	125.3 Å²	125.3	77%	0.765	62%	0.624	S	S	*	*	H	α-helix	trans	-73.5	-22.7	-175.1	-126.6	4.8	0	0	0	116.2
3	N	38	Very low	33.9	Very low	132 Å²	132	125.4 Å²	125.4	71%	0.706	62%	0.621	S	S	*	*	H	α-helix	trans	-79	-31	179.2	-85.8	-2.3	0	0	0	114	M1 K6 L7	M1-N3 PolarHBondContact O-N 3.18Å; N3-K6 PolarHBondContact O-N 3.26Å; N3-L7 PolarHBondContact O-N 3.18Å; N3-L7 VanDerWaalsContact O-N 3.15Å
4	N	35.7	Very low	33.8	Very low	116 Å²	116	122.3 Å²	122.3	62%	0.62	61%	0.613	S	S	*	*	H	α-helix	trans	-70	-36.2	-178.6	-73	1.6	0	0	0	111.7	K6 L7 Q8	N4-K6 VanDerWaalsContact C-N 3.34Å; N4-K6 PolarHBondContact O-N 3.45Å; N4-L7 PolarHBondContact O-N 3.49Å; N4-Q8 WeakPolarHBondContact O-CB 3.37Å; N4-Q8 WeakPolarHBondContact O-CG 3.47Å; N4-Q8 PolarHBondContact O-N 3.45Å
5	N	34.3	Very low	33.9	Very low	90 Å²	90	118.1 Å²	118.1	48%	0.481	59%	0.593	S	S	.	*	H	α-helix	trans	-66.9	-36.8	177.1	-66.8	-2.8	0	0	0	111.6	Q8 L9	N5-Q8 PolarHBondContact O-N 3.21Å; N5-L9 WeakPolarHBondContact O-CB 3.44Å; N5-L9 WeakPolarHBondContact O-CD1 3.2Å; N5-L9 WeakPolarHBondContact O-CG 3.21Å; N5-L9 PolarHBondContact O-N 3.4Å
6	K	31.9	Very low	34.1	Very low	149 Å²	149	117.8 Å²	117.8	65%	0.648	59%	0.593	S	S	*	*	H	α-helix	trans	-69	-40.2	178.3	-143.4	176.1	-173.2	-179.1	0	111.6	N3 N4 L9 Q10	N3-K6 PolarHBondContact O-N 3.26Å; N4-K6 VanDerWaalsContact C-N 3.34Å; N4-K6 PolarHBondContact O-N 3.45Å; K6-L9 PolarHBondContact O-N 2.83Å; K6-Q10 PolarHBondContact O-N 2.96Å
7	L	34.4	Very low	34.2	Very low	121 Å²	121	119 Å²	119	63%	0.634	60%	0.602	S	S	*	*	H	α-helix	trans	-66.8	-41.9	175.3	-146.5	92.7	0	0	0	111.6	N3 N4 Q10 F11	N3-L7 PolarHBondContact O-N 3.18Å; N3-L7 VanDerWaalsContact O-N 3.15Å; N4-L7 PolarHBondContact O-N 3.49Å; L7-Q10 PolarHBondContact O-N 3.12Å; L7-F11 WeakPolarHBondContact O-CB 2.95Å; L7-F11 PolarHBondContact O-N 3.4Å
8	Q	31	Very low	34.4	Very low	122 Å²	122	118.4 Å²	118.4	57%	0.57	60%	0.597	S	S	*	*	H	α-helix	trans	-64.2	-41.5	175.1	-77.7	-174.5	-16.6	0	0	112.2	N4 N5 F11 I12	N4-Q8 WeakPolarHBondContact O-CB 3.37Å; N4-Q8 WeakPolarHBondContact O-CG 3.47Å; N4-Q8 PolarHBondContact O-N 3.45Å; N5-Q8 PolarHBondContact O-N 3.21Å; Q8-F11 PolarHBondContact O-N 3.45Å; Q8-I12 WeakPolarHBondContact O-CD1 3.23Å; Q8-I12 WeakPolarHBondContact O-CG1 3.5Å; Q8-I12 PolarHBondContact O-N 3.5Å
9	L	30.9	Very low	34.6	Very low	103 Å²	103	117.9 Å²	117.9	54%	0.539	60%	0.601	S	S	.	*	H	α-helix	trans	-63	-43.9	175.1	-86.3	154.7	0	0	0	112.1	N5 K6 F11 I12 E13	N5-L9 WeakPolarHBondContact O-CB 3.44Å; N5-L9 WeakPolarHBondContact O-CD1 3.2Å; N5-L9 WeakPolarHBondContact O-CG 3.21Å; N5-L9 PolarHBondContact O-N 3.4Å; K6-L9 PolarHBondContact O-N 2.83Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.86Å; L9-I12 PolarHBondContact O-N 2.77Å; L9-E13 PolarHBondContact O-N 2.93Å
10	Q	31.4	Very low	35	Very low	122 Å²	122	114.1 Å²	114.1	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-64.4	-35.4	174	-110.6	172.9	-34.1	0	0	112.6	K6 L7 T14	K6-Q10 PolarHBondContact O-N 2.96Å; L7-Q10 PolarHBondContact O-N 3.12Å; Q10-T14 WeakPolarHBondContact O-CG2 3.46Å; Q10-T14 PolarHBondContact O-N 3.34Å; Q10-T14 PolarHBondContact O-OG1 3.1Å
11	F	30.4	Very low	35.4	Very low	109 Å²	109	114 Å²	114	48%	0.478	59%	0.585	S	S	.	*	H	α-helix	trans	-69.1	-36.2	176.6	-151	-98.7	0	0	0	111.7	L7 Q8 L9 T14 L15 P260	L7-F11 WeakPolarHBondContact O-CB 2.95Å; L7-F11 PolarHBondContact O-N 3.4Å; Q8-F11 PolarHBondContact O-N 3.45Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.86Å; F11-T14 VanDerWaalsContact CA-OG1 3.3Å; F11-T14 WeakPolarHBondContact CA-OG1 3.47Å; F11-T14 PolarHBondContact O-OG1 2.77Å; F11-L15 HydrophobicContact CD1-CD1 3.5Å; F11-L15 HydrophobicContact CE1-CD1 3.52Å; F11-L15 HydrophobicContact CG-CD1 4.49Å; F11-L15 WeakPolarHBondContact O-CB 3.3Å; F11-L15 WeakPolarHBondContact O-CD1 3.47Å; F11-L15 PolarHBondContact O-N 3.28Å; F11-P260 HydrophobicContact CZ-CB 4Å; F11-P260 HydrophobicContact CZ-CG 4.16Å
12	I	32.1	Very low	35.7	Very low	77 Å²	77	104.4 Å²	104.4	40%	0.395	54%	0.537	S	S	.	.	H	α-helix	trans	-71.3	-40.4	175.4	-67.7	163.6	0	0	0	111.2	Q8 L9 T14 L15 N16	Q8-I12 WeakPolarHBondContact O-CD1 3.23Å; Q8-I12 WeakPolarHBondContact O-CG1 3.5Å; Q8-I12 PolarHBondContact O-N 3.5Å; L9-I12 PolarHBondContact O-N 2.77Å; I12-T14 VanDerWaalsContact C-N 3.34Å; I12-T14 PolarHBondContact O-N 3.11Å; I12-L15 PolarHBondContact O-N 3.03Å; I12-N16 WeakPolarHBondContact O-CB 3.46Å; I12-N16 PolarHBondContact O-N 3.1Å
13	E	31	Very low	36.2	Very low	127 Å²	127	98.9 Å²	98.9	59%	0.593	51%	0.509	S	S	*	.	H	α-helix	trans	-63.7	-38.9	174.2	-79.5	-179.4	158.8	0	0	112.2	L9 N16 N17	L9-E13 PolarHBondContact O-N 2.93Å; E13-N16 PolarHBondContact O-N 3.42Å; E13-N17 PolarHBondContact O-N 3.4Å; E13-N17 VanDerWaalsContact O-N 3.15Å
14	T	32.9	Very low	36.9	Very low	82 Å²	82	93.5 Å²	93.5	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-71.3	-33.9	176	44.7	0	0	0	0	112.9	Q10 F11 I12 N17	Q10-T14 WeakPolarHBondContact O-CG2 3.46Å; Q10-T14 PolarHBondContact O-N 3.34Å; Q10-T14 PolarHBondContact O-OG1 3.1Å; F11-T14 VanDerWaalsContact CA-OG1 3.3Å; F11-T14 WeakPolarHBondContact CA-OG1 3.47Å; F11-T14 PolarHBondContact O-OG1 2.77Å; I12-T14 VanDerWaalsContact C-N 3.34Å; I12-T14 PolarHBondContact O-N 3.11Å; T14-N17 PolarHBondContact O-N 2.98Å
15	L	35.5	Very low	37.7	Very low	60 Å²	60	91.7 Å²	91.7	31%	0.314	47%	0.467	S	S	.	.	H	α-helix	trans	-68.3	-35.7	170.1	-103.9	114.4	0	0	0	112.9	F11 I12 N17 Q18 K207 L263	F11-L15 HydrophobicContact CD1-CD1 3.5Å; F11-L15 HydrophobicContact CE1-CD1 3.52Å; F11-L15 HydrophobicContact CG-CD1 4.49Å; F11-L15 WeakPolarHBondContact O-CB 3.3Å; F11-L15 WeakPolarHBondContact O-CD1 3.47Å; F11-L15 PolarHBondContact O-N 3.28Å; I12-L15 PolarHBondContact O-N 3.03Å; L15-N17 VanDerWaalsContact C-N 3.27Å; L15-N17 PolarHBondContact O-N 3.26Å; L15-Q18 PolarHBondContact O-N 2.93Å; L15-K207 PolarHBondContact O-NZ 3.04Å; L15-L263 HydrophobicContact CD2-CD1 4.26Å; L15-L263 HydrophobicContact CD2-CD2 4.22Å
16	N	36.7	Very low	38.5	Very low	112 Å²	112	87.7 Å²	87.7	60%	0.599	45%	0.446	S	S	*	.	H	α-helix	trans	-65.8	-31.1	175.4	-90.9	-13.8	0	0	0	112.3	I12 E13 K207	I12-N16 WeakPolarHBondContact O-CB 3.46Å; I12-N16 PolarHBondContact O-N 3.1Å; E13-N16 PolarHBondContact O-N 3.42Å; N16-K207 PolarHBondContact O-NZ 3.32Å
17	N	34.9	Very low	39.2	Very low	139 Å²	139	82.5 Å²	82.5	74%	0.743	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.8	176.5	-84.2	-9.6	0	0	0	115.7	E13 T14 L15 T19	E13-N17 PolarHBondContact O-N 3.4Å; E13-N17 VanDerWaalsContact O-N 3.15Å; T14-N17 PolarHBondContact O-N 2.98Å; L15-N17 VanDerWaalsContact C-N 3.27Å; L15-N17 PolarHBondContact O-N 3.26Å; N17-T19 PolarHBondContact O-N 2.85Å; N17-T19 VanDerWaalsContact O-N 3.11Å
18	Q	38.3	Very low	39.3	Very low	109 Å²	109	79.5 Å²	79.5	51%	0.509	40%	0.404	S	S	.	.			trans	-77	100.7	171.6	-70.4	-171.9	-10.2	0	0	110.1	L15 K207	L15-Q18 PolarHBondContact O-N 2.93Å; Q18-K207 VanDerWaalsContact O-CE 3.27Å; Q18-K207 WeakPolarHBondContact O-CE 3.01Å; Q18-K207 PolarHBondContact O-NZ 3.27Å; Q18-K207 VanDerWaalsContact O-NZ 3.08Å
19	T	38.5	Very low	39.8	Very low	108 Å²	108	76.2 Å²	76.2	66%	0.663	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-71.5	129.7	167.3	48.8	0	0	0	0	108.9	N17 L21	N17-T19 PolarHBondContact O-N 2.85Å; N17-T19 VanDerWaalsContact O-N 3.11Å; T19-L21 PolarHBondContact O-N 3.42Å
20	C	42.8	Very low	39.8	Very low	42 Å²	42	73.9 Å²	73.9	28%	0.284	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-58.5	119.7	174	-58	0	0	0	0	109.5	C265	C20-C265 VanDerWaalsContact CA-SG 3.53Å; C20-C265 HydrophobicContact CB-CB 3.1Å; C20-C265 WeakPolarHBondContact CB-SG 3.42Å; C20-C265 WeakPolarHBondContact SG-CB 3.47Å; C20-C265 CovalentContact SG-SG 2.04Å; C20-C265 PolarHBondContact SG-SG 3.35Å
21	L	42.9	Very low	39.6	Very low	113 Å²	113	72.7 Å²	72.7	59%	0.592	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-61.3	140.2	178.4	-74.5	154.4	0	0	0	109.7	T19 S23 D131	T19-L21 PolarHBondContact O-N 3.42Å; L21-S23 PolarHBondContact O-N 2.9Å; L21-D131 WeakPolarHBondContact CA-OD1 3.34Å
22	W	47.5	Very low	39.3	Very low	16 Å²	16	71.3 Å²	71.3	6%	0.061	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.6	123.9	168.7	-79.5	61.4	0	0	0	108.4	D131 I134 K135 F138 I197 N202 I203	W22-D131 PolarHBondContact N-OD1 3.39Å; W22-I134 HydrophobicContact CB-CB 4.04Å; W22-I134 HydrophobicContact CB-CD1 4.33Å; W22-I134 HydrophobicContact CB-CG2 3.61Å; W22-I134 WeakPolarHBondContact O-CD1 3.39Å; W22-K135 HydrophobicContact CD2-CG 3.64Å; W22-K135 VanDerWaalsContact CE2-CG 3.47Å; W22-K135 HydrophobicContact CE3-CG 4Å; W22-K135 HydrophobicContact CG-CG 4.16Å; W22-K135 HydrophobicContact CH2-CG 3.88Å; W22-K135 HydrophobicContact CZ2-CD 3.98Å; W22-K135 VanDerWaalsContact CZ2-CE 3.48Å; W22-K135 HydrophobicContact CZ2-CG 3.61Å; W22-K135 HydrophobicContact CZ3-CG 4.11Å; W22-F138 AromaticContact CE3-CD2 3.64Å; W22-F138 HydrophobicContact CE3-CD2 3.64Å; W22-F138 AromaticContact CE3-CE2 3.81Å; W22-F138 HydrophobicContact CE3-CE2 3.81Å; W22-F138 AromaticContact CZ3-CD2 3.86Å; W22-F138 HydrophobicContact CZ3-CD2 3.86Å; W22-F138 HydrophobicContact CZ3-CE2 4.31Å; W22-F138 HydrophobicContact CZ3-CG 4.37Å; W22-I197 HydrophobicContact CH2-CG2 3.89Å; W22-I197 HydrophobicContact CZ3-CG2 4.26Å; W22-N202 WeakPolarHBondContact CH2-ND2 3.49Å; W22-N202 WeakPolarHBondContact CH2-OD1 3.49Å; W22-I203 HydrophobicContact CZ2-CD1 3.84Å; W22-I203 HydrophobicContact CZ2-CG1 4.1Å
23	S	48.1	Very low	39	Very low	28 Å²	28	70.7 Å²	70.7	20%	0.196	39%	0.388	C	S	.	.			trans	-114.6	132.2	165.9	77.2	0	0	0	0	109.9	L21 K25 D29 Y121	L21-S23 PolarHBondContact O-N 2.9Å; S23-K25 PolarHBondContact O-N 3.03Å; S23-D29 PolarHBondContact OG-OD2 3.21Å; S23-D29 VanDerWaalsContact OG-OD2 3.11Å; S23-Y121 WeakPolarHBondContact CA-OH 3.47Å
24	L	53.2	Low	38.8	Very low	18 Å²	18	75 Å²	75	9%	0.094	40%	0.4	C	S	.	.			trans	-63.1	122.9	153.5	-75.2	131.3	0	0	0	105.9	T26 F117 Y121 F138	L24-T26 HydrophobicContact CB-CG2 3.41Å; L24-T26 VanDerWaalsContact CB-CG2 3.41Å; L24-T26 VanDerWaalsContact O-CB 3.29Å; L24-T26 WeakPolarHBondContact O-CB 3.2Å; L24-T26 VanDerWaalsContact O-CG2 3.32Å; L24-T26 WeakPolarHBondContact O-CG2 3.5Å; L24-T26 PolarHBondContact O-N 3.38Å; L24-T26 PolarHBondContact O-OG1 3.01Å; L24-F117 HydrophobicContact CD1-CE1 4.05Å; L24-Y121 HydrophobicContact CB-CD1 3.95Å; L24-Y121 HydrophobicContact CB-CE1 3.56Å; L24-Y121 HydrophobicContact CD1-CD1 3.59Å; L24-Y121 HydrophobicContact CD1-CD2 3.71Å; L24-Y121 HydrophobicContact CD1-CE1 3.82Å; L24-Y121 HydrophobicContact CD1-CE2 3.9Å; L24-Y121 HydrophobicContact CD1-CG 3.54Å; L24-Y121 HydrophobicContact CG-CD1 4.39Å; L24-Y121 HydrophobicContact CG-CE1 4.3Å; L24-Y121 PolarHBondContact N-OH 3.41Å; L24-F138 HydrophobicContact CB-CZ 4.16Å; L24-F138 HydrophobicContact CD2-CD1 4.36Å; L24-F138 HydrophobicContact CD2-CE1 3.67Å; L24-F138 HydrophobicContact CD2-CE2 4.24Å; L24-F138 HydrophobicContact CD2-CZ 3.63Å; L24-F138 HydrophobicContact CG-CE1 4.1Å; L24-F138 HydrophobicContact CG-CE2 3.78Å; L24-F138 HydrophobicContact CG-CZ 3.51Å
25	K	53.5	Low	38.6	Very low	78 Å²	78	78.3 Å²	78.3	34%	0.339	41%	0.407	S	S	.	.	S	Bend	trans	-57.8	87.1	171.2	-75.2	-174.3	179.9	-177.8	0	108.3	S23 I518	S23-K25 PolarHBondContact O-N 3.03Å; K25-I518 HydrophobicContact CB-CD1 4.31Å; K25-I518 HydrophobicContact CB-CG2 4.44Å; K25-I518 HydrophobicContact CD-CD1 3.61Å
26	T	50.2	Low	38.1	Very low	7 Å²	7	84.3 Å²	84.3	4%	0.043	44%	0.436	C	S	.	.			trans	-126.8	172.5	-165.9	47.6	0	0	0	0	110	L24 Y28 D29 Y121 N122	L24-T26 HydrophobicContact CB-CG2 3.41Å; L24-T26 VanDerWaalsContact CB-CG2 3.41Å; L24-T26 VanDerWaalsContact O-CB 3.29Å; L24-T26 WeakPolarHBondContact O-CB 3.2Å; L24-T26 VanDerWaalsContact O-CG2 3.32Å; L24-T26 WeakPolarHBondContact O-CG2 3.5Å; L24-T26 PolarHBondContact O-N 3.38Å; L24-T26 PolarHBondContact O-OG1 3.01Å; T26-Y28 PolarHBondContact O-N 3.17Å; T26-Y28 VanDerWaalsContact O-N 3.11Å; T26-D29 WeakPolarHBondContact O-CB 3.47Å; T26-D29 PolarHBondContact O-N 3.04Å; T26-Y121 HydrophobicContact CG2-CD1 3.84Å; T26-Y121 HydrophobicContact CG2-CE1 3.8Å; T26-Y121 WeakPolarHBondContact OG1-CE1 3.25Å; T26-N122 WeakPolarHBondContact CB-OD1 3.42Å; T26-N122 VanDerWaalsContact CG2-OD1 3.26Å; T26-N122 WeakPolarHBondContact CG2-OD1 3.39Å
27	F	46.3	Very low	37.6	Very low	40 Å²	40	86 Å²	86	18%	0.175	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-58.5	-23.3	175.4	-82.2	-81.3	0	0	0	112.8	D29 L30 I64 E516 F519	F27-D29 PolarHBondContact O-N 3.35Å; F27-L30 HydrophobicContact CB-CD1 4.22Å; F27-L30 HydrophobicContact CD1-CD1 3.51Å; F27-L30 HydrophobicContact CD1-CD2 4.49Å; F27-L30 HydrophobicContact CE1-CD1 4.2Å; F27-L30 HydrophobicContact CG-CD1 4.18Å; F27-L30 VanDerWaalsContact O-CB 3.27Å; F27-L30 WeakPolarHBondContact O-CB 3.35Å; F27-L30 WeakPolarHBondContact O-CD1 3.5Å; F27-L30 PolarHBondContact O-N 2.84Å; F27-I64 HydrophobicContact CD1-CD1 4.15Å; F27-I64 HydrophobicContact CD2-CD1 4.37Å; F27-I64 HydrophobicContact CD2-CG2 3.71Å; F27-I64 HydrophobicContact CE1-CD1 3.62Å; F27-I64 HydrophobicContact CE2-CD1 3.8Å; F27-I64 HydrophobicContact CE2-CG1 4.06Å; F27-I64 HydrophobicContact CE2-CG2 3.65Å; F27-I64 HydrophobicContact CG-CG2 4.45Å; F27-I64 HydrophobicContact CZ-CD1 3.43Å; F27-I64 VanDerWaalsContact CZ-CD1 3.43Å; F27-I64 HydrophobicContact CZ-CG1 4.04Å; F27-I64 HydrophobicContact CZ-CG2 4.4Å; F27-E516 HydrophobicContact CE1-CG 3.95Å; F27-E516 HydrophobicContact CZ-CB 4.47Å; F27-E516 HydrophobicContact CZ-CG 4.11Å; F27-F519 HydrophobicContact CD2-CB 4.32Å; F27-F519 HydrophobicContact CD2-CD1 4.45Å; F27-F519 AromaticContact CD2-CD2 3.56Å; F27-F519 HydrophobicContact CD2-CD2 3.56Å; F27-F519 AromaticContact CD2-CE2 3.83Å; F27-F519 HydrophobicContact CD2-CE2 3.83Å; F27-F519 AromaticContact CD2-CG 3.89Å; F27-F519 HydrophobicContact CD2-CG 3.89Å; F27-F519 HydrophobicContact CD2-CZ 4.41Å; F27-F519 HydrophobicContact CE2-CB 3.72Å; F27-F519 AromaticContact CE2-CD1 3.56Å; F27-F519 HydrophobicContact CE2-CD1 3.56Å; F27-F519 AromaticContact CE2-CD2 3.48Å; F27-F519 HydrophobicContact CE2-CD2 3.48Å; F27-F519 VanDerWaalsContact CE2-CD2 3.48Å; F27-F519 AromaticContact CE2-CE1 3.94Å; F27-F519 HydrophobicContact CE2-CE1 3.94Å; F27-F519 AromaticContact CE2-CE2 3.85Å; F27-F519 HydrophobicContact CE2-CE2 3.85Å; F27-F519 AromaticContact CE2-CG 3.3Å; F27-F519 HydrophobicContact CE2-CG 3.3Å; F27-F519 HydrophobicContact CE2-CZ 4.07Å; F27-F519 HydrophobicContact CZ-CB 4.41Å; F27-F519 HydrophobicContact CZ-CD1 4.37Å; F27-F519 HydrophobicContact CZ-CG 4.3Å
28	Y	37.8	Very low	37.3	Very low	57 Å²	57	87.1 Å²	87.1	22%	0.224	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24	173.1	-88.2	-61.6	0	0	0	114.6	T26 L30 S32 Y121 N122 L123 I124 P126	T26-Y28 PolarHBondContact O-N 3.17Å; T26-Y28 VanDerWaalsContact O-N 3.11Å; Y28-L30 VanDerWaalsContact C-N 3.27Å; Y28-L30 CarbonylContact C-O 3.56Å; Y28-S32 PolarHBondContact O-OG 3.13Å; Y28-Y121 WeakPolarHBondContact CD2-O 3.4Å; Y28-Y121 WeakPolarHBondContact CE2-O 3.35Å; Y28-N122 WeakPolarHBondContact CE2-O 3.03Å; Y28-L123 WeakPolarHBondContact OH-CA 3.45Å; Y28-L123 PolarHBondContact OH-O 3.25Å; Y28-I124 WeakPolarHBondContact CE2-O 3.43Å; Y28-I124 PolarHBondContact OH-N 2.9Å; Y28-P126 HydrophobicContact CG-CG 4.23Å
29	D	40.9	Very low	36.9	Very low	53 Å²	53	90 Å²	90	28%	0.283	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-77.7	-12.6	172.8	-68.8	-26.4	0	0	0	111.6	S23 T26 F27 K515	S23-D29 PolarHBondContact OG-OD2 3.21Å; S23-D29 VanDerWaalsContact OG-OD2 3.11Å; T26-D29 WeakPolarHBondContact O-CB 3.47Å; T26-D29 PolarHBondContact O-N 3.04Å; F27-D29 PolarHBondContact O-N 3.35Å; D29-K515 HydrophobicContact CB-CD 3.96Å; D29-K515 PolarHBondContact O-NZ 2.97Å
30	L	32	Very low	36.6	Very low	54 Å²	54	93.7 Å²	93.7	28%	0.283	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	151.1	160.3	-79.3	86.5	0	0	0	107.2	F27 Y28 S32 K515	F27-L30 HydrophobicContact CB-CD1 4.22Å; F27-L30 HydrophobicContact CD1-CD1 3.51Å; F27-L30 HydrophobicContact CD1-CD2 4.49Å; F27-L30 HydrophobicContact CE1-CD1 4.2Å; F27-L30 HydrophobicContact CG-CD1 4.18Å; F27-L30 VanDerWaalsContact O-CB 3.27Å; F27-L30 WeakPolarHBondContact O-CB 3.35Å; F27-L30 WeakPolarHBondContact O-CD1 3.5Å; F27-L30 PolarHBondContact O-N 2.84Å; Y28-L30 VanDerWaalsContact C-N 3.27Å; Y28-L30 CarbonylContact C-O 3.56Å; L30-S32 PolarHBondContact O-N 3.29Å; L30-K515 HydrophobicContact CD1-CB 4.13Å; L30-K515 HydrophobicContact CD1-CD 3.98Å; L30-K515 HydrophobicContact CG-CD 4.49Å
31	P	25.4	Very low	36	Very low	97 Å²	97	101.3 Å²	101.3	63%	0.63	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	76.1	168.4	28.7	-32.7	0	0	0	109	S33	P31-S33 CarbonylContact O-C 3.54Å; P31-S33 PolarHBondContact O-N 2.96Å
32	S	24.5	Very low	35.7	Very low	81 Å²	81	102.5 Å²	102.5	57%	0.566	49%	0.493	S	S	*	.			trans	-72.6	12.7	170.2	56.2	0	0	0	0	111.1	Y28 L30	Y28-S32 PolarHBondContact O-OG 3.13Å; L30-S32 PolarHBondContact O-N 3.29Å
33	S	25.4	Very low	35.1	Very low	64 Å²	64	107.5 Å²	107.5	45%	0.448	53%	0.525	S	S	.	.			trans	-138.4	104.4	149.3	63.8	0	0	0	0	109	P31 K35	P31-S33 CarbonylContact O-C 3.54Å; P31-S33 PolarHBondContact O-N 2.96Å; S33-K35 VanDerWaalsContact CB-N 3.33Å; S33-K35 PolarHBondContact O-N 2.87Å
34	Y	27.9	Very low	34.9	Very low	217 Å²	217	112.5 Å²	112.5	85%	0.851	55%	0.55	S	S	*	.				-60.1	62.1	128.1	-76.6	-90	0	0	0	107.3	M36	Y34-M36 PolarHBondContact O-N 3.14Å; Y34-M36 VanDerWaalsContact O-N 3.15Å
35	K	27.9	Very low	34.5	Very low	152 Å²	152	116 Å²	116	66%	0.661	58%	0.576	S	S	*	*			trans	-70.2	109.6	158.3	-105.8	173.4	178.4	179	0	102.1	S33 Y37	S33-K35 VanDerWaalsContact CB-N 3.33Å; S33-K35 PolarHBondContact O-N 2.87Å; K35-Y37 VanDerWaalsContact C-N 3.28Å; K35-Y37 PolarHBondContact O-N 3.31Å
36	M	25.6	Very low	34.1	Very low	186 Å²	186	116.7 Å²	116.7	92%	0.916	58%	0.582	S	S	*	*			trans	-31	95.3	160.5	-85	176.7	63.6	0	0	109.7	Y34 H38	Y34-M36 PolarHBondContact O-N 3.14Å; Y34-M36 VanDerWaalsContact O-N 3.15Å; M36-H38 PolarHBondContact O-N 3.35Å
37	Y	27	Very low	33.7	Very low	146 Å²	146	121.4 Å²	121.4	57%	0.573	61%	0.606	S	S	*	*			trans	-94.6	91.7	160.8	-92.9	-80	0	0	0	105.5	K35	K35-Y37 VanDerWaalsContact C-N 3.28Å; K35-Y37 PolarHBondContact O-N 3.31Å
38	H	28.8	Very low	33.4	Very low	164 Å²	164	127.1 Å²	127.1	76%	0.759	63%	0.633	S	S	*	*			trans	37.9	88.2	153.1	-75.1	-85.8	0	0	0	116.3	M36	M36-H38 PolarHBondContact O-N 3.35Å
39	L	30	Very low	33.7	Very low	169 Å²	169	127.8 Å²	127.8	89%	0.885	65%	0.646	S	S	*	*			trans	-124.7	99.2	139.4	-111.3	105.2	0	0	0	108.9	R41	L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.1Å
40	H	30.9	Very low	33.4	Very low	186 Å²	186	129.8 Å²	129.8	86%	0.861	66%	0.656	S	S	*	*			trans	-68.2	85.7	168.6	-166	-37.6	0	0	0	108.4
41	R	31.2	Very low	33.9	Very low	202 Å²	202	134 Å²	134	76%	0.762	67%	0.674	S	S	*	*	S	Bend	trans	-164.3	117.9	163.2	-115.4	171.5	-173.8	-173.3	1	112.2	L39	L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.1Å
42	N	36.1	Very low	34.5	Very low	138 Å²	138	136.4 Å²	136.4	74%	0.738	68%	0.681	S	S	*	*			trans	51.9	83.9	169.2	-78.3	-1.5	0	0	0	118.2	N44	N42-N44 PolarHBondContact O-N 3.43Å
43	T	35.3	Very low	35.4	Very low	120 Å²	120	136.4 Å²	136.4	74%	0.736	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	111.1	157.2	48.9	0	0	0	0	110
44	N	43.5	Very low	36.2	Very low	134 Å²	134	138.3 Å²	138.3	72%	0.717	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	162.5	-25.9	145.3	-78.7	-14	0	0	0	112.1	N42	N42-N44 PolarHBondContact O-N 3.43Å
45	S	45	Very low	36.9	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	68%	0.676	S	S	*	*	S	Bend	trans	-95.3	-19.2	-178.8	56.3	0	0	0	0	114.9
46	I	43.8	Very low	38	Very low	92 Å²	92	130.4 Å²	130.4	47%	0.472	67%	0.67	S	S	.	*	S	Bend	trans	-88.7	-21.3	-178.2	-63	172.6	0	0	0	112	Q48 S49 L50	I46-Q48 VanDerWaalsContact C-N 3.26Å; I46-Q48 PolarHBondContact O-N 3.05Å; I46-S49 PolarHBondContact O-N 2.89Å; I46-S49 PolarHBondContact O-OG 3.09Å; I46-S49 VanDerWaalsContact O-OG 3.1Å; I46-L50 HydrophobicContact CG2-CD1 3.54Å; I46-L50 WeakPolarHBondContact O-CB 3.39Å; I46-L50 PolarHBondContact O-N 2.96Å
47	I	43.1	Very low	39.1	Very low	106 Å²	106	130.3 Å²	130.3	54%	0.544	66%	0.661	S	S	.	*	H	α-helix	trans	-66.2	-32	179.1	-62.3	173.7	0	0	0	110.7	H51	I47-H51 PolarHBondContact O-N 3.38Å
48	Q	40.6	Very low	40.4	Very low	159 Å²	159	130 Å²	130	74%	0.743	66%	0.664	S	S	*	*	H	α-helix	trans	-73.6	-31.4	176.5	-145.4	101.2	15	0	0	113	I46	I46-Q48 VanDerWaalsContact C-N 3.26Å; I46-Q48 PolarHBondContact O-N 3.05Å
49	S	42.4	Very low	42	Very low	71 Å²	71	127.7 Å²	127.7	50%	0.497	66%	0.657	S	S	.	*	H	α-helix	trans	-88.8	-23.2	179.1	58.4	0	0	0	0	113.4	I46 S53	I46-S49 PolarHBondContact O-N 2.89Å; I46-S49 PolarHBondContact O-OG 3.09Å; I46-S49 VanDerWaalsContact O-OG 3.1Å; S49-S53 PolarHBondContact O-OG 3.26Å
50	L	34.8	Very low	44	Very low	95 Å²	95	128.6 Å²	128.6	50%	0.497	65%	0.649	S	S	.	*	H	α-helix	trans	-70.2	-38.4	170.7	-116.6	92	0	0	0	111.9	I46 L52 S53 L54	I46-L50 HydrophobicContact CG2-CD1 3.54Å; I46-L50 WeakPolarHBondContact O-CB 3.39Å; I46-L50 PolarHBondContact O-N 2.96Å; L50-L52 VanDerWaalsContact C-N 3.25Å; L50-L52 PolarHBondContact O-N 3.42Å; L50-S53 PolarHBondContact O-N 2.96Å; L50-S53 PolarHBondContact O-OG 3.21Å; L50-L54 VanDerWaalsContact O-CD1 3.31Å; L50-L54 WeakPolarHBondContact O-CD1 3.34Å
51	H	43.2	Very low	45.9	Very low	142 Å²	142	125.4 Å²	125.4	66%	0.657	63%	0.633	S	S	*	*	H	α-helix	trans	-67.7	-22.1	179.9	-113.7	-76.9	0	0	0	113.9	I47	I47-H51 PolarHBondContact O-N 3.38Å
52	L	37.5	Very low	48.3	Very low	149 Å²	149	118.4 Å²	118.4	78%	0.78	61%	0.614	S	S	*	*	H	α-helix	trans	-89.9	-16.7	178.9	-112	82.3	0	0	0	114.6	L50	L50-L52 VanDerWaalsContact C-N 3.25Å; L50-L52 PolarHBondContact O-N 3.42Å
53	S	43.2	Very low	50.6	Low	81 Å²	81	119 Å²	119	57%	0.566	61%	0.606	S	S	*	*	H	α-helix	trans	-97.5	-11.6	-179.4	55.1	0	0	0	0	114.2	S49 L50	S49-S53 PolarHBondContact O-OG 3.26Å; L50-S53 PolarHBondContact O-N 2.96Å; L50-S53 PolarHBondContact O-OG 3.21Å
54	L	42.9	Very low	52.8	Low	104 Å²	104	115.1 Å²	115.1	55%	0.545	58%	0.58	S	S	.	*	S	Bend	trans	-84.8	-2.4	-179.9	-79.7	158	0	0	0	114.4	L50	L50-L54 VanDerWaalsContact O-CD1 3.31Å; L50-L54 WeakPolarHBondContact O-CD1 3.34Å
55	N	42.8	Very low	54.9	Low	120 Å²	120	110.9 Å²	110.9	64%	0.642	56%	0.557	S	S	*	*	S	Bend	trans	-97.9	-8.4	-164.1	-113.5	-4	0	0	0	119.7
56	P	50.4	Low	57.1	Low	82 Å²	82	110 Å²	110	53%	0.532	54%	0.544	S	S	.	.	S	Bend	trans	-91.4	-19.4	174.4	30	-27.3	0	0	0	114.2
57	Y	49.6	Very low	59.4	Low	185 Å²	185	109.9 Å²	109.9	73%	0.725	54%	0.543	S	S	*	.	S	Bend	trans	-90.5	-19.7	-174.1	-75.5	-81	0	0	0	114.6	N59	Y57-N59 VanDerWaalsContact C-N 3.27Å; Y57-N59 PolarHBondContact O-N 3.19Å
58	H	53.1	Low	61.8	Low	139 Å²	139	105 Å²	105	64%	0.644	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.7	-177.2	-146.3	-63.7	0	0	0	113.3
59	N	62.8	Low	64.4	Low	115 Å²	115	100.5 Å²	100.5	62%	0.615	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.2	-177.6	-76.8	-10.6	0	0	0	114	Y57	Y57-N59 VanDerWaalsContact C-N 3.27Å; Y57-N59 PolarHBondContact O-N 3.19Å
60	W	71.3	Confident	67	Low	189 Å²	189	101.1 Å²	101.1	72%	0.716	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-21.4	-176.4	-64.4	0.9	0	0	0	113.3	P62 W63 I64	W60-P62 VanDerWaalsContact C-CD 3.48Å; W60-W63 PolarHBondContact O-N 3.05Å; W60-W63 VanDerWaalsContact O-N 3.08Å; W60-I64 PolarHBondContact O-N 3.09Å
61	F	71.8	Confident	69.9	Low	118 Å²	118	97.4 Å²	97.4	52%	0.518	48%	0.476	S	S	.	.	H	α-helix	trans	-50.7	-45.1	177.5	-165.9	-99	0	0	0	114.9	W63 I64 I65	F61-W63 VanDerWaalsContact C-N 3.3Å; F61-W63 PolarHBondContact O-N 3.43Å; F61-I64 WeakPolarHBondContact O-CB 3.26Å; F61-I64 PolarHBondContact O-N 3.43Å; F61-I65 HydrophobicContact CD1-CD1 4.45Å; F61-I65 HydrophobicContact CE1-CD1 3.87Å; F61-I65 HydrophobicContact CZ-CD1 4.25Å
62	P	81	Confident	72.5	Confident	56 Å²	56	91.3 Å²	91.3	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-35.8	178.4	23.5	-33.9	0	0	0	112.6	W60 I64 I65 I66	W60-P62 VanDerWaalsContact C-CD 3.48Å; P62-I64 VanDerWaalsContact C-N 3.32Å; P62-I64 PolarHBondContact O-N 3.34Å; P62-I65 PolarHBondContact O-N 3.25Å; P62-I65 VanDerWaalsContact O-N 3.15Å; P62-I66 HydrophobicContact CB-CD1 4.05Å; P62-I66 WeakPolarHBondContact O-CB 3.49Å; P62-I66 WeakPolarHBondContact O-CD1 3.34Å; P62-I66 WeakPolarHBondContact O-CG1 3.26Å; P62-I66 PolarHBondContact O-N 2.93Å
63	W	85.2	Confident	75.3	Confident	151 Å²	151	88.4 Å²	88.4	57%	0.572	43%	0.433	S	S	*	.	H	α-helix	trans	-68.7	-30.9	-179.2	-61	109.9	0	0	0	112.9	W60 F61 I65 I67	W60-W63 PolarHBondContact O-N 3.05Å; W60-W63 VanDerWaalsContact O-N 3.08Å; F61-W63 VanDerWaalsContact C-N 3.3Å; F61-W63 PolarHBondContact O-N 3.43Å; W63-I65 PolarHBondContact O-N 3.48Å; W63-I67 HydrophobicContact CB-CD1 4.12Å; W63-I67 HydrophobicContact CE3-CG1 4.47Å; W63-I67 WeakPolarHBondContact O-CB 3.19Å; W63-I67 WeakPolarHBondContact O-CG1 3.49Å; W63-I67 PolarHBondContact O-N 3.13Å; W63-I67 VanDerWaalsContact O-N 3.1Å
64	I	81.6	Confident	77.9	Confident	38 Å²	38	90.3 Å²	90.3	20%	0.195	43%	0.431	C	S	.	.	H	α-helix	trans	-60.5	-25.7	173.8	-68.5	167.8	0	0	0	111.4	F27 W60 F61 P62 P68 F519	F27-I64 HydrophobicContact CD1-CD1 4.15Å; F27-I64 HydrophobicContact CD2-CD1 4.37Å; F27-I64 HydrophobicContact CD2-CG2 3.71Å; F27-I64 HydrophobicContact CE1-CD1 3.62Å; F27-I64 HydrophobicContact CE2-CD1 3.8Å; F27-I64 HydrophobicContact CE2-CG1 4.06Å; F27-I64 HydrophobicContact CE2-CG2 3.65Å; F27-I64 HydrophobicContact CG-CG2 4.45Å; F27-I64 HydrophobicContact CZ-CD1 3.43Å; F27-I64 VanDerWaalsContact CZ-CD1 3.43Å; F27-I64 HydrophobicContact CZ-CG1 4.04Å; F27-I64 HydrophobicContact CZ-CG2 4.4Å; W60-I64 PolarHBondContact O-N 3.09Å; F61-I64 WeakPolarHBondContact O-CB 3.26Å; F61-I64 PolarHBondContact O-N 3.43Å; P62-I64 VanDerWaalsContact C-N 3.32Å; P62-I64 PolarHBondContact O-N 3.34Å; I64-P68 WeakPolarHBondContact O-CD 3.14Å; I64-P68 WeakPolarHBondContact O-CG 3.23Å; I64-F519 HydrophobicContact CG2-CE1 4.09Å; I64-F519 HydrophobicContact CG2-CE2 4.06Å; I64-F519 HydrophobicContact CG2-CZ 3.59Å; I64-F519 WeakPolarHBondContact O-CZ 3.37Å
65	I	86.2	Confident	80.5	Confident	44 Å²	44	85.3 Å²	85.3	23%	0.226	41%	0.405	C	S	.	.	H	α-helix	trans	-100.2	-44.8	178.9	-63.2	163.4	0	0	0	111.1	F61 P62 W63 I67 P68 I69 L123	F61-I65 HydrophobicContact CD1-CD1 4.45Å; F61-I65 HydrophobicContact CE1-CD1 3.87Å; F61-I65 HydrophobicContact CZ-CD1 4.25Å; P62-I65 PolarHBondContact O-N 3.25Å; P62-I65 VanDerWaalsContact O-N 3.15Å; W63-I65 PolarHBondContact O-N 3.48Å; I65-I67 PolarHBondContact O-N 2.94Å; I65-P68 WeakPolarHBondContact O-CD 3.48Å; I65-I69 HydrophobicContact CG2-CD1 3.62Å; I65-I69 HydrophobicContact CG2-CG1 4.48Å; I65-I69 WeakPolarHBondContact O-CG1 3.46Å; I65-I69 PolarHBondContact O-N 3.3Å; I65-L123 HydrophobicContact CD1-CD2 3.59Å; I65-L123 HydrophobicContact CG1-CD2 3.98Å; I65-L123 HydrophobicContact CG2-CD2 4.49Å
66	I	91.5	Very high	83.1	Confident	73 Å²	73	82.3 Å²	82.3	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-45.2	-175.5	-67.7	166	0	0	0	111.3	P62 I69 M70	P62-I66 HydrophobicContact CB-CD1 4.05Å; P62-I66 WeakPolarHBondContact O-CB 3.49Å; P62-I66 WeakPolarHBondContact O-CD1 3.34Å; P62-I66 WeakPolarHBondContact O-CG1 3.26Å; P62-I66 PolarHBondContact O-N 2.93Å; I66-I69 PolarHBondContact O-N 3.39Å; I66-M70 HydrophobicContact CG2-CG 4.35Å; I66-M70 VanDerWaalsContact O-CG 3.31Å; I66-M70 WeakPolarHBondContact O-CG 3.42Å; I66-M70 PolarHBondContact O-N 3.15Å
67	I	93.5	Very high	85.3	Confident	90 Å²	90	84.9 Å²	84.9	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-62.8	-52	-177.1	-66.2	169.6	0	0	0	111	W63 I65 I69 M70 I71	W63-I67 HydrophobicContact CB-CD1 4.12Å; W63-I67 HydrophobicContact CE3-CG1 4.47Å; W63-I67 WeakPolarHBondContact O-CB 3.19Å; W63-I67 WeakPolarHBondContact O-CG1 3.49Å; W63-I67 PolarHBondContact O-N 3.13Å; W63-I67 VanDerWaalsContact O-N 3.1Å; I65-I67 PolarHBondContact O-N 2.94Å; I67-I69 PolarHBondContact O-N 3.49Å; I67-M70 PolarHBondContact O-N 3.11Å; I67-I71 HydrophobicContact CG2-CD1 3.91Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 WeakPolarHBondContact O-CG1 3.44Å; I67-I71 PolarHBondContact O-N 2.95Å
68	P	93.5	Very high	87.5	Confident	4 Å²	4	76.8 Å²	76.8	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-47.7	-48.7	170.2	-41.7	46.6	0	0	0	116.2	I64 I65 M70 I71 V72 I119 F519 W523	I64-P68 WeakPolarHBondContact O-CD 3.14Å; I64-P68 WeakPolarHBondContact O-CG 3.23Å; I65-P68 WeakPolarHBondContact O-CD 3.48Å; P68-M70 VanDerWaalsContact C-N 3.32Å; P68-M70 PolarHBondContact O-N 2.95Å; P68-I71 PolarHBondContact O-N 2.83Å; P68-V72 WeakPolarHBondContact O-CG2 3.47Å; P68-V72 PolarHBondContact O-N 3.3Å; P68-I119 HydrophobicContact CB-CD1 3.93Å; P68-I119 HydrophobicContact CB-CG1 3.88Å; P68-F519 HydrophobicContact CG-CZ 4.03Å; P68-W523 HydrophobicContact CB-CD2 4.05Å; P68-W523 HydrophobicContact CB-CE3 3.91Å; P68-W523 HydrophobicContact CB-CH2 3.39Å; P68-W523 HydrophobicContact CB-CZ2 3.47Å; P68-W523 VanDerWaalsContact CB-CZ2 3.47Å; P68-W523 HydrophobicContact CB-CZ3 3.58Å; P68-W523 HydrophobicContact CG-CD2 3.67Å; P68-W523 VanDerWaalsContact CG-CE2 3.47Å; P68-W523 HydrophobicContact CG-CE3 3.98Å; P68-W523 HydrophobicContact CG-CG 4.28Å; P68-W523 HydrophobicContact CG-CH2 4.06Å; P68-W523 HydrophobicContact CG-CZ2 3.69Å; P68-W523 HydrophobicContact CG-CZ3 4.15Å
69	I	95.2	Very high	89.5	Confident	65 Å²	65	70.1 Å²	70.1	33%	0.333	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-43	-178.9	-68.9	170.9	0	0	0	110.3	I65 I66 I67 I71 V72 I73 I119	I65-I69 HydrophobicContact CG2-CD1 3.62Å; I65-I69 HydrophobicContact CG2-CG1 4.48Å; I65-I69 WeakPolarHBondContact O-CG1 3.46Å; I65-I69 PolarHBondContact O-N 3.3Å; I66-I69 PolarHBondContact O-N 3.39Å; I67-I69 PolarHBondContact O-N 3.49Å; I69-I71 PolarHBondContact O-N 3.43Å; I69-V72 PolarHBondContact O-N 3.24Å; I69-I73 HydrophobicContact CG2-CD1 3.79Å; I69-I73 HydrophobicContact CG2-CG1 4.47Å; I69-I73 WeakPolarHBondContact O-CG1 3.49Å; I69-I73 PolarHBondContact O-N 3.23Å; I69-I119 HydrophobicContact CG1-CD1 4.04Å; I69-I119 HydrophobicContact CG1-CG2 4.45Å
70	M	95.9	Very high	91.1	Very high	83 Å²	83	67.1 Å²	67.1	41%	0.409	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-42.2	176.4	-68.5	-62.8	142.9	0	0	111.8	I66 I67 P68 V72 I73 F74	I66-M70 HydrophobicContact CG2-CG 4.35Å; I66-M70 VanDerWaalsContact O-CG 3.31Å; I66-M70 WeakPolarHBondContact O-CG 3.42Å; I66-M70 PolarHBondContact O-N 3.15Å; I67-M70 PolarHBondContact O-N 3.11Å; P68-M70 VanDerWaalsContact C-N 3.32Å; P68-M70 PolarHBondContact O-N 2.95Å; M70-V72 VanDerWaalsContact C-N 3.31Å; M70-V72 PolarHBondContact O-N 3.26Å; M70-I73 PolarHBondContact O-N 3.12Å; M70-F74 HydrophobicContact CB-CD2 4.27Å; M70-F74 HydrophobicContact CB-CE2 4.27Å; M70-F74 WeakPolarHBondContact O-CB 3.28Å; M70-F74 WeakPolarHBondContact O-CD2 3.44Å; M70-F74 PolarHBondContact O-N 2.96Å; M70-F74 HydrophobicContact SD-CE2 4.39Å
71	I	96.5	Very high	92.1	Very high	18 Å²	18	61 Å²	61	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-45.6	175.6	-68.1	169	0	0	0	110.5	I67 P68 I69 T75 W523 F527	I67-I71 HydrophobicContact CG2-CD1 3.91Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 WeakPolarHBondContact O-CG1 3.44Å; I67-I71 PolarHBondContact O-N 2.95Å; P68-I71 PolarHBondContact O-N 2.83Å; I69-I71 PolarHBondContact O-N 3.43Å; I71-T75 VanDerWaalsContact O-CB 3.22Å; I71-T75 WeakPolarHBondContact O-CB 3.31Å; I71-T75 PolarHBondContact O-N 3.26Å; I71-T75 PolarHBondContact O-OG1 2.89Å; I71-W523 HydrophobicContact CD1-CE3 3.95Å; I71-F527 HydrophobicContact CD1-CB 4.38Å; I71-F527 HydrophobicContact CG1-CD2 4.16Å
72	V	97.1	Very high	93.2	Very high	13 Å²	13	55.4 Å²	55.4	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-50.5	178.2	171.2	0	0	0	0	111.3	P68 I69 M70 F74 T75 I76 S111 M115 I119	P68-V72 WeakPolarHBondContact O-CG2 3.47Å; P68-V72 PolarHBondContact O-N 3.3Å; I69-V72 PolarHBondContact O-N 3.24Å; M70-V72 VanDerWaalsContact C-N 3.31Å; M70-V72 PolarHBondContact O-N 3.26Å; V72-F74 PolarHBondContact O-N 3.24Å; V72-T75 PolarHBondContact O-N 2.98Å; V72-I76 HydrophobicContact CG1-CD1 3.81Å; V72-I76 WeakPolarHBondContact O-CG1 3.37Å; V72-I76 PolarHBondContact O-N 3.09Å; V72-S111 WeakPolarHBondContact CA-OG 3.37Å; V72-M115 HydrophobicContact CG2-CB 3.68Å; V72-M115 HydrophobicContact CG2-SD 4.34Å; V72-I119 HydrophobicContact CG2-CD1 3.87Å
73	I	97.2	Very high	93.8	Very high	89 Å²	89	53.5 Å²	53.5	46%	0.456	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-50.3	-178.9	-67.6	168.8	0	0	0	111	I69 M70 T75 I76 F77	I69-I73 HydrophobicContact CG2-CD1 3.79Å; I69-I73 HydrophobicContact CG2-CG1 4.47Å; I69-I73 WeakPolarHBondContact O-CG1 3.49Å; I69-I73 PolarHBondContact O-N 3.23Å; M70-I73 PolarHBondContact O-N 3.12Å; I73-T75 VanDerWaalsContact C-N 3.31Å; I73-T75 PolarHBondContact O-N 3.48Å; I73-I76 PolarHBondContact O-N 3.41Å; I73-F77 VanDerWaalsContact O-CB 3.28Å; I73-F77 WeakPolarHBondContact O-CB 3.02Å; I73-F77 PolarHBondContact O-N 3.17Å
74	F	96.7	Very high	94.2	Very high	120 Å²	120	52.7 Å²	52.7	53%	0.526	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-35	-179.9	-75.8	-59.2	0	0	0	112.5	M70 V72 G78	M70-F74 HydrophobicContact CB-CD2 4.27Å; M70-F74 HydrophobicContact CB-CE2 4.27Å; M70-F74 WeakPolarHBondContact O-CB 3.28Å; M70-F74 WeakPolarHBondContact O-CD2 3.44Å; M70-F74 PolarHBondContact O-N 2.96Å; M70-F74 HydrophobicContact SD-CE2 4.39Å; V72-F74 PolarHBondContact O-N 3.24Å; F74-G78 WeakPolarHBondContact O-CA 3.15Å; F74-G78 PolarHBondContact O-N 3.3Å
75	T	97.5	Very high	94.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-50.3	176.8	-61.2	0	0	0	0	111.2	I71 V72 I73 N79 N107 A529 C530	I71-T75 VanDerWaalsContact O-CB 3.22Å; I71-T75 WeakPolarHBondContact O-CB 3.31Å; I71-T75 PolarHBondContact O-N 3.26Å; I71-T75 PolarHBondContact O-OG1 2.89Å; V72-T75 PolarHBondContact O-N 2.98Å; I73-T75 VanDerWaalsContact C-N 3.31Å; I73-T75 PolarHBondContact O-N 3.48Å; T75-N79 WeakPolarHBondContact O-CB 3.26Å; T75-N79 PolarHBondContact O-N 3.39Å; T75-N79 PolarHBondContact O-ND2 3.01Å; T75-N107 HydrophobicContact CG2-CB 4.4Å; T75-A529 HydrophobicContact CG2-CB 3.67Å; T75-C530 WeakPolarHBondContact OG1-CB 3.4Å
76	I	97.6	Very high	94.9	Very high	56 Å²	56	48.8 Å²	48.8	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-49	-180	-66.2	171.8	0	0	0	110	V72 I73 S80	V72-I76 HydrophobicContact CG1-CD1 3.81Å; V72-I76 WeakPolarHBondContact O-CG1 3.37Å; V72-I76 PolarHBondContact O-N 3.09Å; I73-I76 PolarHBondContact O-N 3.41Å; I76-S80 WeakPolarHBondContact O-CB 3.44Å; I76-S80 PolarHBondContact O-N 3.35Å; I76-S80 PolarHBondContact O-OG 3.1Å
77	F	96.4	Very high	94.9	Very high	136 Å²	136	50.1 Å²	50.1	60%	0.596	25%	0.251	S	S	*	.	H	α-helix	trans	-61.3	-50.8	-179.9	177	-99.8	0	0	0	112	I73 S80 L81	I73-F77 VanDerWaalsContact O-CB 3.28Å; I73-F77 WeakPolarHBondContact O-CB 3.02Å; I73-F77 PolarHBondContact O-N 3.17Å; F77-S80 PolarHBondContact O-N 3.04Å; F77-L81 HydrophobicContact CE1-CD2 4.46Å; F77-L81 WeakPolarHBondContact O-CB 3.3Å; F77-L81 PolarHBondContact O-N 3.18Å
78	G	95.4	Very high	94.6	Very high	15 Å²	15	50.2 Å²	50.2	16%	0.155	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-51.4	-177.5	0	0	0	0	0	112.3	F74 S80 L81 A82 S533	F74-G78 WeakPolarHBondContact O-CA 3.15Å; F74-G78 PolarHBondContact O-N 3.3Å; G78-S80 VanDerWaalsContact C-N 3.34Å; G78-S80 PolarHBondContact O-N 3.06Å; G78-L81 PolarHBondContact O-N 3.13Å; G78-A82 WeakPolarHBondContact O-CB 3.46Å; G78-A82 PolarHBondContact O-N 3.38Å; G78-S533 PolarHBondContact O-OG 3.44Å
79	N	96.2	Very high	94.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-32.2	-179.4	-72.8	-80.5	0	0	0	112.4	T75 A82 C83 S104 N107 I108 A529	T75-N79 WeakPolarHBondContact O-CB 3.26Å; T75-N79 PolarHBondContact O-N 3.39Å; T75-N79 PolarHBondContact O-ND2 3.01Å; N79-A82 PolarHBondContact O-N 3.2Å; N79-C83 PolarHBondContact O-N 3.48Å; N79-C83 PolarHBondContact O-SG 2.89Å; N79-S104 WeakPolarHBondContact OD1-CA 3.43Å; N79-S104 PolarHBondContact OD1-OG 2.77Å; N79-N107 HydrophobicContact CB-CB 4.47Å; N79-N107 PolarHBondContact OD1-ND2 3.07Å; N79-I108 HydrophobicContact CB-CD1 4.11Å; N79-I108 HydrophobicContact CB-CG1 3.72Å; N79-A529 PolarHBondContact ND2-O 2.92Å
80	S	95.8	Very high	93.7	Very high	52 Å²	52	56.9 Å²	56.9	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-65.7	-44	173.6	-61.7	0	0	0	0	111.5	I76 F77 G78 A82 C83 Y84	I76-S80 WeakPolarHBondContact O-CB 3.44Å; I76-S80 PolarHBondContact O-N 3.35Å; I76-S80 PolarHBondContact O-OG 3.1Å; F77-S80 PolarHBondContact O-N 3.04Å; G78-S80 VanDerWaalsContact C-N 3.34Å; G78-S80 PolarHBondContact O-N 3.06Å; S80-A82 VanDerWaalsContact C-N 3.32Å; S80-A82 PolarHBondContact O-N 3.42Å; S80-C83 PolarHBondContact O-N 3.49Å; S80-Y84 WeakPolarHBondContact O-CB 3.4Å; S80-Y84 PolarHBondContact O-N 2.83Å
81	L	93.6	Very high	92.7	Very high	61 Å²	61	57.2 Å²	57.2	32%	0.319	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-42	173.9	-179	63.3	0	0	0	111	F77 G78 Y84 V85	F77-L81 HydrophobicContact CE1-CD2 4.46Å; F77-L81 WeakPolarHBondContact O-CB 3.3Å; F77-L81 PolarHBondContact O-N 3.18Å; G78-L81 PolarHBondContact O-N 3.13Å; L81-Y84 PolarHBondContact O-N 2.82Å; L81-V85 HydrophobicContact CD1-CG2 3.94Å; L81-V85 HydrophobicContact CG-CG2 4.16Å; L81-V85 WeakPolarHBondContact O-CB 3.35Å; L81-V85 WeakPolarHBondContact O-CG2 3.24Å; L81-V85 PolarHBondContact O-N 3.35Å
82	A	93.2	Very high	92	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-48.3	176.9	0	0	0	0	0	112.6	G78 N79 S80 V86 F100 F543	G78-A82 WeakPolarHBondContact O-CB 3.46Å; G78-A82 PolarHBondContact O-N 3.38Å; N79-A82 PolarHBondContact O-N 3.2Å; S80-A82 VanDerWaalsContact C-N 3.32Å; S80-A82 PolarHBondContact O-N 3.42Å; A82-V86 VanDerWaalsContact O-CG2 3.29Å; A82-V86 WeakPolarHBondContact O-CG2 3.34Å; A82-V86 PolarHBondContact O-N 3.33Å; A82-V86 VanDerWaalsContact O-N 3.13Å; A82-F100 HydrophobicContact CB-CE1 3.98Å; A82-F100 HydrophobicContact CB-CZ 3.94Å; A82-F543 HydrophobicContact CB-CE2 4.25Å; A82-F543 HydrophobicContact CB-CZ 4.21Å
83	C	94	Very high	91.4	Very high	15 Å²	15	62.9 Å²	62.9	10%	0.101	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-51	172.6	-75	0	0	0	0	111.3	N79 S80 V85 V86 L87 S104	N79-C83 PolarHBondContact O-N 3.48Å; N79-C83 PolarHBondContact O-SG 2.89Å; S80-C83 PolarHBondContact O-N 3.49Å; C83-V85 PolarHBondContact O-N 3.45Å; C83-V86 PolarHBondContact O-N 2.97Å; C83-L87 WeakPolarHBondContact O-CB 3.21Å; C83-L87 WeakPolarHBondContact O-CG 3.39Å; C83-L87 PolarHBondContact O-N 3.23Å; C83-S104 WeakPolarHBondContact SG-CB 3.32Å
84	Y	92.8	Very high	90.5	Very high	134 Å²	134	62.5 Å²	62.5	53%	0.525	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-48.3	-178	178.3	-101.9	0	0	0	112.8	S80 L81 V86 L87 N88 L550	S80-Y84 WeakPolarHBondContact O-CB 3.4Å; S80-Y84 PolarHBondContact O-N 2.83Å; L81-Y84 PolarHBondContact O-N 2.82Å; Y84-V86 PolarHBondContact O-N 3.42Å; Y84-L87 PolarHBondContact O-N 2.98Å; Y84-N88 VanDerWaalsContact O-CB 3.29Å; Y84-N88 WeakPolarHBondContact O-CB 3.37Å; Y84-N88 PolarHBondContact O-N 2.9Å; Y84-L550 HydrophobicContact CD1-CD1 4.13Å; Y84-L550 HydrophobicContact CE1-CD1 3.9Å; Y84-L550 HydrophobicContact CE1-CD2 3.9Å
85	V	91.6	Very high	89.6	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-45.7	-179.8	172.8	0	0	0	0	110.9	L81 C83 D89 L92 F543 L550	L81-V85 HydrophobicContact CD1-CG2 3.94Å; L81-V85 HydrophobicContact CG-CG2 4.16Å; L81-V85 WeakPolarHBondContact O-CB 3.35Å; L81-V85 WeakPolarHBondContact O-CG2 3.24Å; L81-V85 PolarHBondContact O-N 3.35Å; C83-V85 PolarHBondContact O-N 3.45Å; V85-D89 WeakPolarHBondContact O-CB 3.46Å; V85-D89 PolarHBondContact O-N 3.43Å; V85-L92 HydrophobicContact CG1-CD1 3.87Å; V85-F543 HydrophobicContact CB-CD2 4.24Å; V85-F543 HydrophobicContact CB-CE2 3.57Å; V85-F543 HydrophobicContact CB-CZ 3.81Å; V85-F543 HydrophobicContact CG1-CD2 3.7Å; V85-F543 HydrophobicContact CG1-CE1 4.44Å; V85-F543 HydrophobicContact CG1-CE2 3.54Å; V85-F543 HydrophobicContact CG1-CG 4.26Å; V85-F543 HydrophobicContact CG1-CZ 3.94Å; V85-F543 HydrophobicContact CG2-CE2 4.21Å; V85-F543 HydrophobicContact CG2-CZ 3.92Å; V85-L550 HydrophobicContact CB-CD1 4.41Å; V85-L550 HydrophobicContact CG2-CD1 3.71Å
86	V	91.2	Very high	88.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-37.6	-178.7	176	0	0	0	0	111.7	A82 C83 Y84 L92 R93 N97 F100 I101 F543	A82-V86 VanDerWaalsContact O-CG2 3.29Å; A82-V86 WeakPolarHBondContact O-CG2 3.34Å; A82-V86 PolarHBondContact O-N 3.33Å; A82-V86 VanDerWaalsContact O-N 3.13Å; C83-V86 PolarHBondContact O-N 2.97Å; Y84-V86 PolarHBondContact O-N 3.42Å; V86-L92 HydrophobicContact CB-CB 4.4Å; V86-L92 HydrophobicContact CG1-CB 4.13Å; V86-L92 HydrophobicContact CG2-CB 4.41Å; V86-L92 HydrophobicContact CG2-CD1 4.3Å; V86-R93 VanDerWaalsContact O-CG 3.25Å; V86-R93 WeakPolarHBondContact O-CG 3.46Å; V86-N97 HydrophobicContact CG1-CB 4.22Å; V86-F100 HydrophobicContact CG2-CD1 4.25Å; V86-F100 HydrophobicContact CG2-CE1 4.13Å; V86-I101 HydrophobicContact CB-CD1 4.36Å; V86-I101 HydrophobicContact CB-CG1 4.22Å; V86-I101 HydrophobicContact CG1-CD1 3.55Å; V86-I101 HydrophobicContact CG1-CG1 3.72Å; V86-F543 HydrophobicContact CG2-CD2 4.11Å; V86-F543 HydrophobicContact CG2-CE2 4.1Å
87	L	91.2	Very high	88.1	Confident	101 Å²	101	60.5 Å²	60.5	53%	0.529	28%	0.278	S	S	.	.	H	α-helix	trans	-72.9	-32.7	179	-69.5	173	0	0	0	112.7	C83 Y84 R93 I101	C83-L87 WeakPolarHBondContact O-CB 3.21Å; C83-L87 WeakPolarHBondContact O-CG 3.39Å; C83-L87 PolarHBondContact O-N 3.23Å; Y84-L87 PolarHBondContact O-N 2.98Å; L87-R93 WeakPolarHBondContact O-CD 3.32Å; L87-I101 HydrophobicContact CD2-CD1 4.08Å
88	N	88.5	Confident	87.8	Confident	92 Å²	92	57 Å²	57	49%	0.492	27%	0.265	S	S	.	.	H	α-helix	trans	-85.1	-36.9	-178.7	-164.9	41.4	0	0	0	112.7	Y84 R90	Y84-N88 VanDerWaalsContact O-CB 3.29Å; Y84-N88 WeakPolarHBondContact O-CB 3.37Å; Y84-N88 PolarHBondContact O-N 2.9Å; N88-R90 PolarHBondContact O-N 3.02Å
89	D	85.6	Confident	87.7	Confident	26 Å²	26	56.7 Å²	56.7	14%	0.139	26%	0.26	C	S	.	.			trans	-82.5	114.3	179.8	-163	-30.4	0	0	0	112.2	V85 H91 L92 R93 S546	V85-D89 WeakPolarHBondContact O-CB 3.46Å; V85-D89 PolarHBondContact O-N 3.43Å; D89-H91 PolarHBondContact O-N 3.3Å; D89-H91 VanDerWaalsContact O-N 3.1Å; D89-H91 VanDerWaalsContact OD1-CB 3.29Å; D89-H91 WeakPolarHBondContact OD1-CB 2.93Å; D89-H91 IonicContact OD1-CD2 3.15Å; D89-H91 PolarHBondContact OD1-CD2 2.99Å; D89-H91 IonicContact OD1-CG 3.53Å; D89-H91 PolarHBondContact OD1-N 3.43Å; D89-L92 HydrophobicContact CB-CB 4.36Å; D89-L92 HydrophobicContact CB-CD1 4.06Å; D89-L92 HydrophobicContact CB-CG 4.23Å; D89-L92 PolarHBondContact O-N 3.31Å; D89-R93 WeakPolarHBondContact O-CG 3.37Å; D89-R93 PolarHBondContact O-N 3.43Å; D89-S546 WeakPolarHBondContact OD2-CB 3.21Å; D89-S546 PolarHBondContact OD2-OG 2.94Å
90	R	83.1	Confident	87.5	Confident	184 Å²	184	57 Å²	57	69%	0.694	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.7	176.9	-52.2	-166.4	177.1	-178.7	-0.4	113.6	N88 L92	N88-R90 PolarHBondContact O-N 3.02Å; R90-L92 VanDerWaalsContact C-N 3.28Å
91	H	76.6	Confident	87.4	Confident	90 Å²	90	55.9 Å²	55.9	42%	0.417	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.5	176.7	-60.8	-72.5	0	0	0	113.6	D89 H94	D89-H91 PolarHBondContact O-N 3.3Å; D89-H91 VanDerWaalsContact O-N 3.1Å; D89-H91 VanDerWaalsContact OD1-CB 3.29Å; D89-H91 WeakPolarHBondContact OD1-CB 2.93Å; D89-H91 IonicContact OD1-CD2 3.15Å; D89-H91 PolarHBondContact OD1-CD2 2.99Å; D89-H91 IonicContact OD1-CG 3.53Å; D89-H91 PolarHBondContact OD1-N 3.43Å; H91-H94 PolarHBondContact O-CD2 3.47Å; H91-H94 PolarHBondContact O-NE2 3.3Å; H91-H94 VanDerWaalsContact O-NE2 3.09Å
92	L	81.9	Confident	87.4	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-11	177.9	-65.5	174.2	0	0	0	112.7	V85 V86 D89 R90 H94 N97 N542 F543 S546	V85-L92 HydrophobicContact CG1-CD1 3.87Å; V86-L92 HydrophobicContact CB-CB 4.4Å; V86-L92 HydrophobicContact CG1-CB 4.13Å; V86-L92 HydrophobicContact CG2-CB 4.41Å; V86-L92 HydrophobicContact CG2-CD1 4.3Å; D89-L92 HydrophobicContact CB-CB 4.36Å; D89-L92 HydrophobicContact CB-CD1 4.06Å; D89-L92 HydrophobicContact CB-CG 4.23Å; D89-L92 PolarHBondContact O-N 3.31Å; R90-L92 VanDerWaalsContact C-N 3.28Å; L92-H94 PolarHBondContact O-N 3.32Å; L92-N97 WeakPolarHBondContact O-CB 3.42Å; L92-N97 PolarHBondContact O-ND2 3.03Å; L92-N542 HydrophobicContact CD2-CB 3.79Å; L92-F543 HydrophobicContact CD1-CB 4.46Å; L92-F543 HydrophobicContact CD1-CD2 4.14Å; L92-S546 WeakPolarHBondContact CD1-OG 3.48Å
93	R	83.2	Confident	87.5	Confident	147 Å²	147	53.9 Å²	53.9	56%	0.555	24%	0.241	S	C	*	.			trans	-75.7	50.7	177	-63.2	-173.8	-50.6	-174.6	7.7	113.4	V86 L87 D89	V86-R93 VanDerWaalsContact O-CG 3.25Å; V86-R93 WeakPolarHBondContact O-CG 3.46Å; L87-R93 WeakPolarHBondContact O-CD 3.32Å; D89-R93 WeakPolarHBondContact O-CG 3.37Å; D89-R93 PolarHBondContact O-N 3.43Å
94	H	77.9	Confident	87.6	Confident	82 Å²	82	53.2 Å²	53.2	38%	0.38	24%	0.237	S	C	.	.			trans	-96.7	151.8	174.3	-66.2	-63.7	0	0	0	111	H91 L92 S96 N97	H91-H94 PolarHBondContact O-CD2 3.47Å; H91-H94 PolarHBondContact O-NE2 3.3Å; H91-H94 VanDerWaalsContact O-NE2 3.09Å; L92-H94 PolarHBondContact O-N 3.32Å; H94-S96 PolarHBondContact O-N 2.98Å; H94-S96 VanDerWaalsContact O-N 3.14Å; H94-N97 PolarHBondContact O-N 3.14Å
95	R	78.7	Confident	87.8	Confident	109 Å²	109	50.7 Å²	50.7	41%	0.411	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-53.9	-37.4	-179.4	-62.7	-177.4	-170.8	157.4	9.6	112.3	N97 I98 S170 F173	R95-N97 PolarHBondContact O-N 3.27Å; R95-I98 WeakPolarHBondContact O-CB 3.32Å; R95-I98 PolarHBondContact O-N 3Å; R95-I98 VanDerWaalsContact O-N 3.16Å; R95-S170 PolarHBondContact NH1-O 3.26Å; R95-F173 PolarHBondContact NH1-O 3.45Å
96	S	76.6	Confident	88	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.098	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-71.2	-9.8	-179.1	60.4	0	0	0	0	114.5	H94 R159	H94-S96 PolarHBondContact O-N 2.98Å; H94-S96 VanDerWaalsContact O-N 3.14Å; S96-R159 VanDerWaalsContact C-NH2 3.3Å; S96-R159 VanDerWaalsContact CB-NH2 3.32Å; S96-R159 PolarHBondContact O-NH2 3.45Å; S96-R159 PolarHBondContact OG-NH1 3.24Å; S96-R159 VanDerWaalsContact OG-NH1 3.16Å; S96-R159 PolarHBondContact OG-NH2 3.21Å
97	N	87	Confident	88.3	Confident	11 Å²	11	50.8 Å²	50.8	6%	0.059	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-98.2	-7	174	-67.9	-4.7	0	0	0	112.7	V86 L92 H94 R95 F100 I101 R159	V86-N97 HydrophobicContact CG1-CB 4.22Å; L92-N97 WeakPolarHBondContact O-CB 3.42Å; L92-N97 PolarHBondContact O-ND2 3.03Å; H94-N97 PolarHBondContact O-N 3.14Å; R95-N97 PolarHBondContact O-N 3.27Å; N97-F100 WeakPolarHBondContact O-CB 3.47Å; N97-F100 PolarHBondContact O-N 3.47Å; N97-I101 WeakPolarHBondContact O-CG1 3.23Å; N97-I101 PolarHBondContact O-N 3.23Å; N97-R159 PolarHBondContact OD1-NH2 3.49Å
98	I	90.5	Very high	88.6	Confident	63 Å²	63	47.8 Å²	47.8	32%	0.323	22%	0.216	S	C	.	.	H	α-helix	trans	-66.3	-39.6	179.3	-67.3	170.9	0	0	0	111.1	R95 F100 I101 S102 L178 I182	R95-I98 WeakPolarHBondContact O-CB 3.32Å; R95-I98 PolarHBondContact O-N 3Å; R95-I98 VanDerWaalsContact O-N 3.16Å; I98-F100 PolarHBondContact O-N 3.44Å; I98-I101 PolarHBondContact O-N 2.96Å; I98-S102 PolarHBondContact O-N 3.47Å; I98-L178 HydrophobicContact CB-CD2 3.59Å; I98-L178 HydrophobicContact CD1-CD2 3.43Å; I98-L178 VanDerWaalsContact CD1-CD2 3.43Å; I98-L178 HydrophobicContact CG1-CD2 4.05Å; I98-L178 HydrophobicContact CG2-CD2 3.58Å; I98-L178 HydrophobicContact CG2-CG 4.21Å; I98-I182 HydrophobicContact CG2-CD1 4.1Å
99	F	92	Very high	89	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-36.9	173.3	-77.1	-62.2	0	0	0	112.3	S102 L103 A154 M155 D158 L178 T181 I182 L185	F99-S102 WeakPolarHBondContact O-CB 3.35Å; F99-S102 PolarHBondContact O-N 3.06Å; F99-L103 WeakPolarHBondContact O-CB 3.43Å; F99-L103 PolarHBondContact O-N 3.5Å; F99-A154 HydrophobicContact CD1-CB 4.4Å; F99-A154 HydrophobicContact CE1-CB 3.97Å; F99-A154 HydrophobicContact CZ-CB 4.14Å; F99-M155 HydrophobicContact CB-CG 3.35Å; F99-M155 HydrophobicContact CB-SD 4.04Å; F99-M155 HydrophobicContact CG-CG 4.11Å; F99-D158 HydrophobicContact CD2-CB 4.1Å; F99-D158 HydrophobicContact CE2-CB 3.81Å; F99-L178 HydrophobicContact CD1-CD1 4.18Å; F99-L178 HydrophobicContact CD2-CD1 3.58Å; F99-L178 HydrophobicContact CE1-CD1 3.76Å; F99-L178 HydrophobicContact CE2-CD1 3.1Å; F99-L178 HydrophobicContact CG-CD1 4.1Å; F99-L178 HydrophobicContact CZ-CD1 3.21Å; F99-T181 WeakPolarHBondContact CZ-OG1 3.38Å; F99-I182 HydrophobicContact CD1-CD1 4.39Å; F99-I182 HydrophobicContact CD1-CG1 4.01Å; F99-I182 HydrophobicContact CE1-CG1 3.86Å; F99-L185 HydrophobicContact CE1-CD1 4.41Å
100	F	91.9	Very high	89.6	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-43.4	175.7	173.6	-98.7	0	0	0	111.5	A82 V86 N97 I98 S102 L103 S104 M155 Y536	A82-F100 HydrophobicContact CB-CE1 3.98Å; A82-F100 HydrophobicContact CB-CZ 3.94Å; V86-F100 HydrophobicContact CG2-CD1 4.25Å; V86-F100 HydrophobicContact CG2-CE1 4.13Å; N97-F100 WeakPolarHBondContact O-CB 3.47Å; N97-F100 PolarHBondContact O-N 3.47Å; I98-F100 PolarHBondContact O-N 3.44Å; F100-S102 VanDerWaalsContact C-N 3.33Å; F100-S102 PolarHBondContact O-N 2.96Å; F100-L103 WeakPolarHBondContact O-CB 3.47Å; F100-L103 PolarHBondContact O-N 2.82Å; F100-S104 PolarHBondContact O-N 3.15Å; F100-S104 PolarHBondContact O-OG 3.35Å; F100-M155 HydrophobicContact CB-SD 4.16Å; F100-Y536 HydrophobicContact CD1-CD1 4.28Å; F100-Y536 AromaticContact CD1-CE1 3.93Å; F100-Y536 HydrophobicContact CD1-CE1 3.93Å; F100-Y536 HydrophobicContact CD1-CE2 4.47Å; F100-Y536 HydrophobicContact CD2-CD1 4.42Å; F100-Y536 AromaticContact CD2-CD2 3.85Å; F100-Y536 HydrophobicContact CD2-CD2 3.85Å; F100-Y536 HydrophobicContact CD2-CE2 4.09Å; F100-Y536 HydrophobicContact CD2-CG 4.01Å; F100-Y536 AromaticContact CE1-CD1 3.55Å; F100-Y536 HydrophobicContact CE1-CD1 3.55Å; F100-Y536 AromaticContact CE1-CE1 3.54Å; F100-Y536 HydrophobicContact CE1-CE1 3.54Å; F100-Y536 HydrophobicContact CE1-CG 4.09Å; F100-Y536 AromaticContact CE2-CD1 3.72Å; F100-Y536 HydrophobicContact CE2-CD1 3.72Å; F100-Y536 AromaticContact CE2-CD2 3.67Å; F100-Y536 HydrophobicContact CE2-CD2 3.67Å; F100-Y536 HydrophobicContact CE2-CE1 4.28Å; F100-Y536 HydrophobicContact CE2-CE2 4.26Å; F100-Y536 AromaticContact CE2-CG 3.35Å; F100-Y536 HydrophobicContact CE2-CG 3.35Å; F100-Y536 HydrophobicContact CG-CD2 4.4Å; F100-Y536 HydrophobicContact CG-CE1 4.45Å; F100-Y536 HydrophobicContact CG-CE2 4.2Å; F100-Y536 AromaticContact CZ-CD1 3.23Å; F100-Y536 HydrophobicContact CZ-CD1 3.23Å; F100-Y536 HydrophobicContact CZ-CD2 4.08Å; F100-Y536 AromaticContact CZ-CE1 3.74Å; F100-Y536 HydrophobicContact CZ-CE1 3.74Å; F100-Y536 AromaticContact CZ-CG 3.4Å; F100-Y536 HydrophobicContact CZ-CG 3.4Å
101	I	93.6	Very high	90.2	Very high	28 Å²	28	36.7 Å²	36.7	14%	0.144	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-45	173.5	-61.6	169.2	0	0	0	110.6	V86 L87 N97 I98 L103 S104 I105	V86-I101 HydrophobicContact CB-CD1 4.36Å; V86-I101 HydrophobicContact CB-CG1 4.22Å; V86-I101 HydrophobicContact CG1-CD1 3.55Å; V86-I101 HydrophobicContact CG1-CG1 3.72Å; L87-I101 HydrophobicContact CD2-CD1 4.08Å; N97-I101 WeakPolarHBondContact O-CG1 3.23Å; N97-I101 PolarHBondContact O-N 3.23Å; I98-I101 PolarHBondContact O-N 2.96Å; I101-L103 VanDerWaalsContact C-N 3.31Å; I101-L103 PolarHBondContact O-N 3.47Å; I101-S104 PolarHBondContact O-N 3.23Å; I101-I105 HydrophobicContact CG2-CD1 3.98Å; I101-I105 WeakPolarHBondContact O-CG1 3.25Å; I101-I105 PolarHBondContact O-N 3.37Å
102	S	94.7	Very high	91.2	Very high	17 Å²	17	34.9 Å²	34.9	12%	0.119	17%	0.167	C	C	.	.	H	α-helix	trans	-56	-47.8	175.9	-169.8	0	0	0	0	110.7	I98 F99 F100 S104 I105 I106 H151	I98-S102 PolarHBondContact O-N 3.47Å; F99-S102 WeakPolarHBondContact O-CB 3.35Å; F99-S102 PolarHBondContact O-N 3.06Å; F100-S102 VanDerWaalsContact C-N 3.33Å; F100-S102 PolarHBondContact O-N 2.96Å; S102-S104 PolarHBondContact O-N 3.03Å; S102-I105 PolarHBondContact O-N 3.4Å; S102-I106 WeakPolarHBondContact O-CD1 3.46Å; S102-I106 VanDerWaalsContact O-CG1 3.3Å; S102-I106 WeakPolarHBondContact O-CG1 3.42Å; S102-I106 PolarHBondContact O-N 2.95Å; S102-H151 PolarHBondContact OG-NE2 3.39Å
103	L	95.4	Very high	91.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-41.6	176.9	-174	65.5	0	0	0	112.5	F99 F100 I101 I106 N107 T148 H151 L152 M155	F99-L103 WeakPolarHBondContact O-CB 3.43Å; F99-L103 PolarHBondContact O-N 3.5Å; F100-L103 WeakPolarHBondContact O-CB 3.47Å; F100-L103 PolarHBondContact O-N 2.82Å; I101-L103 VanDerWaalsContact C-N 3.31Å; I101-L103 PolarHBondContact O-N 3.47Å; L103-I106 WeakPolarHBondContact O-CB 3.38Å; L103-I106 PolarHBondContact O-N 3.14Å; L103-N107 VanDerWaalsContact O-CG 3.25Å; L103-N107 PolarHBondContact O-N 2.83Å; L103-N107 PolarHBondContact O-ND2 3.28Å; L103-T148 HydrophobicContact CD1-CG2 3.87Å; L103-H151 HydrophobicContact CD1-CB 4.12Å; L103-L152 HydrophobicContact CD2-CD2 3.82Å; L103-M155 HydrophobicContact CD2-CE 3.52Å
104	S	96.2	Very high	92.4	Very high	1 Å²	1	30 Å²	30	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-40.4	175.9	-69	0	0	0	0	112.3	N79 C83 F100 I101 S102 N107 I108	N79-S104 WeakPolarHBondContact OD1-CA 3.43Å; N79-S104 PolarHBondContact OD1-OG 2.77Å; C83-S104 WeakPolarHBondContact SG-CB 3.32Å; F100-S104 PolarHBondContact O-N 3.15Å; F100-S104 PolarHBondContact O-OG 3.35Å; I101-S104 PolarHBondContact O-N 3.23Å; S102-S104 PolarHBondContact O-N 3.03Å; S104-N107 PolarHBondContact O-N 3.4Å; S104-I108 VanDerWaalsContact O-CG1 3.3Å; S104-I108 WeakPolarHBondContact O-CG1 3.49Å; S104-I108 PolarHBondContact O-N 3.36Å; S104-I108 VanDerWaalsContact O-N 3.07Å
105	I	96.4	Very high	93.2	Very high	81 Å²	81	26.1 Å²	26.1	42%	0.415	14%	0.136	S	C	.	.	H	α-helix	trans	-63.5	-44.2	174.5	-66.3	167.6	0	0	0	110.6	I101 S102 N107 I108 I109	I101-I105 HydrophobicContact CG2-CD1 3.98Å; I101-I105 WeakPolarHBondContact O-CG1 3.25Å; I101-I105 PolarHBondContact O-N 3.37Å; S102-I105 PolarHBondContact O-N 3.4Å; I105-N107 VanDerWaalsContact C-N 3.33Å; I105-N107 PolarHBondContact O-N 3.2Å; I105-I108 PolarHBondContact O-N 3.39Å; I105-I109 HydrophobicContact CG2-CD1 3.82Å; I105-I109 HydrophobicContact CG2-CG1 4.39Å; I105-I109 WeakPolarHBondContact O-CG1 3.39Å; I105-I109 PolarHBondContact O-N 2.96Å
106	I	96.5	Very high	93.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-55.4	-48.3	175.2	-71.7	154.9	0	0	0	110.7	S102 L103 I108 I109 F110 F144 V147 H151 W186	S102-I106 WeakPolarHBondContact O-CD1 3.46Å; S102-I106 VanDerWaalsContact O-CG1 3.3Å; S102-I106 WeakPolarHBondContact O-CG1 3.42Å; S102-I106 PolarHBondContact O-N 2.95Å; L103-I106 WeakPolarHBondContact O-CB 3.38Å; L103-I106 PolarHBondContact O-N 3.14Å; I106-I108 VanDerWaalsContact C-N 3.33Å; I106-I108 PolarHBondContact O-N 3.36Å; I106-I109 PolarHBondContact O-N 3.41Å; I106-F110 WeakPolarHBondContact O-CB 3.32Å; I106-F110 PolarHBondContact O-N 3.41Å; I106-F144 HydrophobicContact CG2-CD1 4.17Å; I106-V147 HydrophobicContact CD1-CG1 3.43Å; I106-V147 VanDerWaalsContact CD1-CG1 3.43Å; I106-V147 HydrophobicContact CG1-CG1 3.98Å; I106-V147 HydrophobicContact CG2-CG1 4.33Å; I106-H151 VanDerWaalsContact CD1-CE1 3.46Å; I106-H151 WeakPolarHBondContact CD1-CE1 3.35Å; I106-W186 HydrophobicContact CD1-CZ2 4.28Å; I106-W186 HydrophobicContact CG1-CH2 4.32Å; I106-W186 HydrophobicContact CG1-CZ2 3.57Å
107	N	97	Very high	94.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-35.7	179.8	-67.2	-28.7	0	0	0	112.7	T75 N79 L103 S104 I105 S111 A529 N532	T75-N107 HydrophobicContact CG2-CB 4.4Å; N79-N107 HydrophobicContact CB-CB 4.47Å; N79-N107 PolarHBondContact OD1-ND2 3.07Å; L103-N107 VanDerWaalsContact O-CG 3.25Å; L103-N107 PolarHBondContact O-N 2.83Å; L103-N107 PolarHBondContact O-ND2 3.28Å; S104-N107 PolarHBondContact O-N 3.4Å; I105-N107 VanDerWaalsContact C-N 3.33Å; I105-N107 PolarHBondContact O-N 3.2Å; N107-S111 VanDerWaalsContact O-CB 3.24Å; N107-S111 WeakPolarHBondContact O-CB 3.39Å; N107-S111 PolarHBondContact O-N 2.67Å; N107-A529 HydrophobicContact CB-CB 4.13Å; N107-N532 PolarHBondContact ND2-ND2 3.4Å
108	I	97.7	Very high	94.8	Very high	38 Å²	38	24.5 Å²	24.5	20%	0.195	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-48.3	175.4	-66.8	163.1	0	0	0	110.4	N79 S104 I105 I106 S111 S112	N79-I108 HydrophobicContact CB-CD1 4.11Å; N79-I108 HydrophobicContact CB-CG1 3.72Å; S104-I108 VanDerWaalsContact O-CG1 3.3Å; S104-I108 WeakPolarHBondContact O-CG1 3.49Å; S104-I108 PolarHBondContact O-N 3.36Å; S104-I108 VanDerWaalsContact O-N 3.07Å; I105-I108 PolarHBondContact O-N 3.39Å; I106-I108 VanDerWaalsContact C-N 3.33Å; I106-I108 PolarHBondContact O-N 3.36Å; I108-S111 PolarHBondContact O-N 2.69Å; I108-S112 WeakPolarHBondContact O-CB 3.49Å; I108-S112 PolarHBondContact O-N 2.94Å; I108-S112 PolarHBondContact O-OG 3.29Å
109	I	97.3	Very high	94.7	Very high	65 Å²	65	22.2 Å²	22.2	33%	0.333	12%	0.122	S	C	.	.	H	α-helix	trans	-63.6	-45.5	179.1	-61.6	170.7	0	0	0	109.7	I105 I106 S111 S112 T113 F144	I105-I109 HydrophobicContact CG2-CD1 3.82Å; I105-I109 HydrophobicContact CG2-CG1 4.39Å; I105-I109 WeakPolarHBondContact O-CG1 3.39Å; I105-I109 PolarHBondContact O-N 2.96Å; I106-I109 PolarHBondContact O-N 3.41Å; I109-S111 PolarHBondContact O-N 3.2Å; I109-S112 WeakPolarHBondContact CA-OG 3.45Å; I109-S112 PolarHBondContact O-N 3.44Å; I109-S112 PolarHBondContact O-OG 3.16Å; I109-S112 VanDerWaalsContact O-OG 3.09Å; I109-T113 HydrophobicContact CG2-CG2 4.31Å; I109-T113 WeakPolarHBondContact O-CB 3.39Å; I109-T113 WeakPolarHBondContact O-CG2 3.3Å; I109-T113 PolarHBondContact O-N 3.23Å; I109-T113 PolarHBondContact O-OG1 3.16Å; I109-F144 HydrophobicContact CB-CE1 4.13Å; I109-F144 HydrophobicContact CB-CZ 4.32Å; I109-F144 HydrophobicContact CG2-CE1 3.69Å; I109-F144 HydrophobicContact CG2-CE2 4.48Å; I109-F144 HydrophobicContact CG2-CZ 3.45Å; I109-F144 VanDerWaalsContact CG2-CZ 3.45Å
110	F	97.4	Very high	94.6	Very high	5 Å²	5	25 Å²	25	2%	0.022	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-45.5	178.6	-180	-148.6	0	0	0	112.3	I106 V114 M115 D141 F144 Y526 A529	I106-F110 WeakPolarHBondContact O-CB 3.32Å; I106-F110 PolarHBondContact O-N 3.41Å; F110-V114 HydrophobicContact CD2-CB 3.7Å; F110-V114 HydrophobicContact CD2-CG1 4.28Å; F110-V114 HydrophobicContact CD2-CG2 3.98Å; F110-V114 HydrophobicContact CE2-CB 3.7Å; F110-V114 HydrophobicContact CE2-CG1 3.75Å; F110-V114 HydrophobicContact CE2-CG2 4.19Å; F110-V114 PolarHBondContact O-N 2.95Å; F110-M115 HydrophobicContact CD1-CE 3.57Å; F110-M115 HydrophobicContact CE1-CE 3.48Å; F110-M115 VanDerWaalsContact CE1-CE 3.48Å; F110-M115 HydrophobicContact CG-CE 4.23Å; F110-M115 HydrophobicContact CZ-CE 4.08Å; F110-M115 PolarHBondContact O-N 2.97Å; F110-D141 WeakPolarHBondContact CE2-OD1 3.47Å; F110-D141 WeakPolarHBondContact CZ-OD1 3.4Å; F110-F144 HydrophobicContact CB-CB 3.84Å; F110-F144 HydrophobicContact CB-CD1 4.01Å; F110-F144 HydrophobicContact CB-CD2 4.11Å; F110-F144 HydrophobicContact CB-CG 3.73Å; F110-F144 HydrophobicContact CD1-CB 4.16Å; F110-F144 HydrophobicContact CD2-CB 3.39Å; F110-F144 AromaticContact CD2-CD2 3.58Å; F110-F144 HydrophobicContact CD2-CD2 3.58Å; F110-F144 AromaticContact CD2-CG 3.69Å; F110-F144 HydrophobicContact CD2-CG 3.69Å; F110-F144 HydrophobicContact CE2-CB 3.9Å; F110-F144 HydrophobicContact CE2-CD2 4.41Å; F110-F144 HydrophobicContact CG-CB 3.54Å; F110-F144 HydrophobicContact CG-CD2 4.2Å; F110-F144 AromaticContact CG-CG 3.9Å; F110-F144 HydrophobicContact CG-CG 3.9Å; F110-F144 HydrophobicContact CZ-CB 4.46Å; F110-Y526 HydrophobicContact CE1-CD1 4.12Å; F110-Y526 HydrophobicContact CE2-CE1 4.17Å; F110-Y526 AromaticContact CZ-CD1 3.6Å; F110-Y526 HydrophobicContact CZ-CD1 3.6Å; F110-Y526 AromaticContact CZ-CE1 3.56Å; F110-Y526 HydrophobicContact CZ-CE1 3.56Å; F110-A529 HydrophobicContact CD1-CB 4.44Å
111	S	96.9	Very high	94.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-70.2	-42	-179.8	-168.6	0	0	0	0	112.9	V72 N107 I108 I109 T113 L116	V72-S111 WeakPolarHBondContact CA-OG 3.37Å; N107-S111 VanDerWaalsContact O-CB 3.24Å; N107-S111 WeakPolarHBondContact O-CB 3.39Å; N107-S111 PolarHBondContact O-N 2.67Å; I108-S111 PolarHBondContact O-N 2.69Å; I109-S111 PolarHBondContact O-N 3.2Å; S111-T113 VanDerWaalsContact C-N 3.31Å; S111-T113 PolarHBondContact O-N 3.19Å; S111-L116 PolarHBondContact O-N 2.97Å
112	S	96.1	Very high	93.5	Very high	51 Å²	51	24.8 Å²	24.8	36%	0.357	14%	0.136	S	C	.	.	I	π-helix	trans	-71.8	-22.5	179.3	56.3	0	0	0	0	114.1	I108 I109	I108-S112 WeakPolarHBondContact O-CB 3.49Å; I108-S112 PolarHBondContact O-N 2.94Å; I108-S112 PolarHBondContact O-OG 3.29Å; I109-S112 WeakPolarHBondContact CA-OG 3.45Å; I109-S112 PolarHBondContact O-N 3.44Å; I109-S112 PolarHBondContact O-OG 3.16Å; I109-S112 VanDerWaalsContact O-OG 3.09Å
113	T	95.3	Very high	92.9	Very high	48 Å²	48	28 Å²	28	29%	0.294	15%	0.151	S	C	.	.	I	π-helix	trans	-103.3	-72.6	-179.6	58.2	0	0	0	0	111.7	I109 S111 F117	I109-T113 HydrophobicContact CG2-CG2 4.31Å; I109-T113 WeakPolarHBondContact O-CB 3.39Å; I109-T113 WeakPolarHBondContact O-CG2 3.3Å; I109-T113 PolarHBondContact O-N 3.23Å; I109-T113 PolarHBondContact O-OG1 3.16Å; S111-T113 VanDerWaalsContact C-N 3.31Å; S111-T113 PolarHBondContact O-N 3.19Å; T113-F117 VanDerWaalsContact O-CB 3.3Å; T113-F117 WeakPolarHBondContact O-CB 3.43Å; T113-F117 PolarHBondContact O-N 2.91Å
114	V	95	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-73.9	-45.8	-169.6	177.2	0	0	0	0	112.7	F110 L116 F117 N118 F137 L140 D141 F144	F110-V114 HydrophobicContact CD2-CB 3.7Å; F110-V114 HydrophobicContact CD2-CG1 4.28Å; F110-V114 HydrophobicContact CD2-CG2 3.98Å; F110-V114 HydrophobicContact CE2-CB 3.7Å; F110-V114 HydrophobicContact CE2-CG1 3.75Å; F110-V114 HydrophobicContact CE2-CG2 4.19Å; F110-V114 PolarHBondContact O-N 2.95Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.38Å; V114-F117 PolarHBondContact O-N 3.3Å; V114-N118 PolarHBondContact O-N 2.85Å; V114-N118 PolarHBondContact O-ND2 3.43Å; V114-F137 HydrophobicContact CG2-CD1 4.42Å; V114-L140 HydrophobicContact CG2-CB 3.71Å; V114-D141 HydrophobicContact CG1-CB 3.67Å; V114-F144 HydrophobicContact CG2-CD2 3.71Å; V114-F144 HydrophobicContact CG2-CE2 3.91Å
115	M	94.2	Very high	91	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-66.4	-41	-179	-60	-178.9	-174.3	0	0	111.1	V72 F110 N118 I119 W523 Y526 A529	V72-M115 HydrophobicContact CG2-CB 3.68Å; V72-M115 HydrophobicContact CG2-SD 4.34Å; F110-M115 HydrophobicContact CD1-CE 3.57Å; F110-M115 HydrophobicContact CE1-CE 3.48Å; F110-M115 VanDerWaalsContact CE1-CE 3.48Å; F110-M115 HydrophobicContact CG-CE 4.23Å; F110-M115 HydrophobicContact CZ-CE 4.08Å; F110-M115 PolarHBondContact O-N 2.97Å; M115-N118 WeakPolarHBondContact O-CB 3.41Å; M115-N118 PolarHBondContact O-N 3.34Å; M115-I119 WeakPolarHBondContact O-CG1 3.39Å; M115-I119 PolarHBondContact O-N 3.21Å; M115-I119 VanDerWaalsContact O-N 3.09Å; M115-W523 HydrophobicContact CB-CH2 4.4Å; M115-Y526 HydrophobicContact CE-CD1 4.22Å; M115-Y526 HydrophobicContact CE-CG 3.94Å; M115-Y526 WeakPolarHBondContact CE-O 3.37Å; M115-Y526 HydrophobicContact CG-CD2 3.88Å; M115-Y526 HydrophobicContact CG-CE2 4.3Å; M115-Y526 HydrophobicContact CG-CG 4.03Å; M115-Y526 HydrophobicContact SD-CG 4.36Å; M115-A529 HydrophobicContact CE-CB 3.81Å
116	L	94.5	Very high	89.6	Confident	78 Å²	78	33.9 Å²	33.9	41%	0.408	18%	0.181	S	C	.	.	H	α-helix	trans	-63.2	-43.9	175.3	-174.7	62.2	0	0	0	111.6	S111 V114 N118 I119 I120	S111-L116 PolarHBondContact O-N 2.97Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.38Å; L116-N118 VanDerWaalsContact C-N 3.32Å; L116-N118 PolarHBondContact O-N 3.34Å; L116-I119 PolarHBondContact O-N 2.58Å; L116-I119 VanDerWaalsContact O-N 3.16Å; L116-I120 HydrophobicContact CG-CD1 4.02Å; L116-I120 WeakPolarHBondContact O-CG1 3.23Å; L116-I120 PolarHBondContact O-N 3.42Å
117	F	92.5	Very high	88.4	Confident	13 Å²	13	42.3 Å²	42.3	6%	0.057	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-41.4	174.3	178	-98.2	0	0	0	112.1	L24 T113 V114 I119 I120 Y121 F129 L133 F137	L24-F117 HydrophobicContact CD1-CE1 4.05Å; T113-F117 VanDerWaalsContact O-CB 3.3Å; T113-F117 WeakPolarHBondContact O-CB 3.43Å; T113-F117 PolarHBondContact O-N 2.91Å; V114-F117 PolarHBondContact O-N 3.3Å; F117-I119 VanDerWaalsContact C-N 3.3Å; F117-I119 PolarHBondContact O-N 3.23Å; F117-I120 PolarHBondContact O-N 2.95Å; F117-Y121 HydrophobicContact CE1-CD2 4.37Å; F117-Y121 HydrophobicContact CZ-CD2 4.23Å; F117-Y121 VanDerWaalsContact O-CB 3.28Å; F117-Y121 WeakPolarHBondContact O-CB 3.37Å; F117-Y121 PolarHBondContact O-N 2.86Å; F117-F129 AromaticContact CE2-CD1 3.86Å; F117-F129 HydrophobicContact CE2-CD1 3.86Å; F117-F129 AromaticContact CE2-CE1 3.86Å; F117-F129 HydrophobicContact CE2-CE1 3.86Å; F117-F129 HydrophobicContact CZ-CD1 4.13Å; F117-F129 HydrophobicContact CZ-CE1 4.41Å; F117-L133 HydrophobicContact CE2-CD2 4.18Å; F117-L133 HydrophobicContact CE2-CG 4.23Å; F117-L133 HydrophobicContact CZ-CG 4.46Å; F117-F137 HydrophobicContact CB-CD1 3.47Å; F117-F137 VanDerWaalsContact CB-CD1 3.47Å; F117-F137 HydrophobicContact CB-CD2 4.47Å; F117-F137 HydrophobicContact CB-CE1 3.31Å; F117-F137 HydrophobicContact CB-CE2 4.35Å; F117-F137 HydrophobicContact CB-CG 4.07Å; F117-F137 HydrophobicContact CB-CZ 3.79Å; F117-F137 HydrophobicContact CD1-CB 3.45Å; F117-F137 VanDerWaalsContact CD1-CB 3.45Å; F117-F137 AromaticContact CD1-CD1 3.53Å; F117-F137 HydrophobicContact CD1-CD1 3.53Å; F117-F137 AromaticContact CD1-CD2 3.72Å; F117-F137 HydrophobicContact CD1-CD2 3.72Å; F117-F137 HydrophobicContact CD1-CE1 4.17Å; F117-F137 HydrophobicContact CD1-CE2 4.33Å; F117-F137 AromaticContact CD1-CG 3.26Å; F117-F137 HydrophobicContact CD1-CG 3.26Å; F117-F137 HydrophobicContact CD2-CD1 4.12Å; F117-F137 AromaticContact CD2-CD2 3.56Å; F117-F137 HydrophobicContact CD2-CD2 3.56Å; F117-F137 AromaticContact CD2-CE1 4Å; F117-F137 HydrophobicContact CD2-CE1 4Å; F117-F137 AromaticContact CD2-CE2 3.41Å; F117-F137 HydrophobicContact CD2-CE2 3.41Å; F117-F137 VanDerWaalsContact CD2-CE2 3.41Å; F117-F137 AromaticContact CD2-CG 3.92Å; F117-F137 HydrophobicContact CD2-CG 3.92Å; F117-F137 AromaticContact CD2-CZ 3.64Å; F117-F137 HydrophobicContact CD2-CZ 3.64Å; F117-F137 HydrophobicContact CE1-CB 3.45Å; F117-F137 VanDerWaalsContact CE1-CB 3.45Å; F117-F137 HydrophobicContact CE1-CD1 4.29Å; F117-F137 AromaticContact CE1-CD2 3.71Å; F117-F137 HydrophobicContact CE1-CD2 3.71Å; F117-F137 AromaticContact CE1-CG 3.56Å; F117-F137 HydrophobicContact CE1-CG 3.56Å; F117-F137 AromaticContact CE2-CD2 3.56Å; F117-F137 HydrophobicContact CE2-CD2 3.56Å; F117-F137 AromaticContact CE2-CE2 3.68Å; F117-F137 HydrophobicContact CE2-CE2 3.68Å; F117-F137 HydrophobicContact CE2-CG 4.17Å; F117-F137 HydrophobicContact CE2-CZ 4.37Å; F117-F137 HydrophobicContact CG-CB 4.18Å; F117-F137 AromaticContact CG-CD1 3.42Å; F117-F137 HydrophobicContact CG-CD1 3.42Å; F117-F137 VanDerWaalsContact CG-CD1 3.42Å; F117-F137 AromaticContact CG-CD2 3.64Å; F117-F137 HydrophobicContact CG-CD2 3.64Å; F117-F137 AromaticContact CG-CE1 3.56Å; F117-F137 HydrophobicContact CG-CE1 3.56Å; F117-F137 AromaticContact CG-CE2 3.77Å; F117-F137 HydrophobicContact CG-CE2 3.77Å; F117-F137 AromaticContact CG-CG 3.46Å; F117-F137 HydrophobicContact CG-CG 3.46Å; F117-F137 VanDerWaalsContact CG-CG 3.46Å; F117-F137 AromaticContact CG-CZ 3.73Å; F117-F137 HydrophobicContact CG-CZ 3.73Å; F117-F137 HydrophobicContact CZ-CB 4.19Å; F117-F137 AromaticContact CZ-CD2 3.63Å; F117-F137 HydrophobicContact CZ-CD2 3.63Å; F117-F137 HydrophobicContact CZ-CE2 4.24Å; F117-F137 AromaticContact CZ-CG 4Å; F117-F137 HydrophobicContact CZ-CG 4Å
118	N	89.3	Confident	87.7	Confident	9 Å²	9	51 Å²	51	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-39.9	174.8	-88.3	-75.1	0	0	0	112.5	V114 M115 L116 N122 W523 Y526	V114-N118 PolarHBondContact O-N 2.85Å; V114-N118 PolarHBondContact O-ND2 3.43Å; M115-N118 WeakPolarHBondContact O-CB 3.41Å; M115-N118 PolarHBondContact O-N 3.34Å; L116-N118 VanDerWaalsContact C-N 3.32Å; L116-N118 PolarHBondContact O-N 3.34Å; N118-N122 WeakPolarHBondContact O-CB 3.46Å; N118-N122 PolarHBondContact O-N 2.93Å; N118-N122 PolarHBondContact O-ND2 2.94Å; N118-W523 HydrophobicContact CB-CZ2 4.33Å; N118-Y526 HydrophobicContact CB-CE2 4.37Å; N118-Y526 PolarHBondContact ND2-OH 3.13Å
119	I	89.1	Confident	86.9	Confident	15 Å²	15	50.4 Å²	50.4	8%	0.077	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-49	175	-65.3	167	0	0	0	110	P68 I69 V72 M115 L116 F117 Y121 N122 L123 W523	P68-I119 HydrophobicContact CB-CD1 3.93Å; P68-I119 HydrophobicContact CB-CG1 3.88Å; I69-I119 HydrophobicContact CG1-CD1 4.04Å; I69-I119 HydrophobicContact CG1-CG2 4.45Å; V72-I119 HydrophobicContact CG2-CD1 3.87Å; M115-I119 WeakPolarHBondContact O-CG1 3.39Å; M115-I119 PolarHBondContact O-N 3.21Å; M115-I119 VanDerWaalsContact O-N 3.09Å; L116-I119 PolarHBondContact O-N 2.58Å; L116-I119 VanDerWaalsContact O-N 3.16Å; F117-I119 VanDerWaalsContact C-N 3.3Å; F117-I119 PolarHBondContact O-N 3.23Å; I119-Y121 VanDerWaalsContact C-N 3.33Å; I119-Y121 PolarHBondContact O-N 3.22Å; I119-N122 CarbonylContact O-C 3.56Å; I119-N122 PolarHBondContact O-N 3.34Å; I119-N122 VanDerWaalsContact O-N 3.09Å; I119-L123 HydrophobicContact CG2-CD1 3.82Å; I119-L123 HydrophobicContact CG2-CG 4.44Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 2.98Å; I119-L123 VanDerWaalsContact O-N 3.1Å; I119-W523 HydrophobicContact CD1-CH2 3.92Å; I119-W523 HydrophobicContact CG1-CH2 3.63Å; I119-W523 HydrophobicContact CG1-CZ2 3.83Å
120	I	88.8	Confident	86.3	Confident	66 Å²	66	50.7 Å²	50.7	34%	0.338	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-44.4	180	-67.4	167.7	0	0	0	110.9	L116 F117 N122 L123 I124 F129	L116-I120 HydrophobicContact CG-CD1 4.02Å; L116-I120 WeakPolarHBondContact O-CG1 3.23Å; L116-I120 PolarHBondContact O-N 3.42Å; F117-I120 PolarHBondContact O-N 2.95Å; I120-N122 VanDerWaalsContact C-N 3.28Å; I120-N122 PolarHBondContact O-N 2.93Å; I120-L123 PolarHBondContact O-N 3.49Å; I120-I124 HydrophobicContact CG2-CD1 3.62Å; I120-I124 HydrophobicContact CG2-CG1 4.31Å; I120-I124 WeakPolarHBondContact O-CB 3.49Å; I120-I124 PolarHBondContact O-N 3.12Å; I120-F129 HydrophobicContact CG2-CE1 4.27Å; I120-F129 HydrophobicContact CG2-CZ 3.96Å
121	Y	83.9	Confident	85.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-33.6	176.9	-175.9	-81.8	0	0	0	112.1	S23 L24 T26 Y28 F117 I119 L123 F129 I134	S23-Y121 WeakPolarHBondContact CA-OH 3.47Å; L24-Y121 HydrophobicContact CB-CD1 3.95Å; L24-Y121 HydrophobicContact CB-CE1 3.56Å; L24-Y121 HydrophobicContact CD1-CD1 3.59Å; L24-Y121 HydrophobicContact CD1-CD2 3.71Å; L24-Y121 HydrophobicContact CD1-CE1 3.82Å; L24-Y121 HydrophobicContact CD1-CE2 3.9Å; L24-Y121 HydrophobicContact CD1-CG 3.54Å; L24-Y121 HydrophobicContact CG-CD1 4.39Å; L24-Y121 HydrophobicContact CG-CE1 4.3Å; L24-Y121 PolarHBondContact N-OH 3.41Å; T26-Y121 HydrophobicContact CG2-CD1 3.84Å; T26-Y121 HydrophobicContact CG2-CE1 3.8Å; T26-Y121 WeakPolarHBondContact OG1-CE1 3.25Å; Y28-Y121 WeakPolarHBondContact CD2-O 3.4Å; Y28-Y121 WeakPolarHBondContact CE2-O 3.35Å; F117-Y121 HydrophobicContact CE1-CD2 4.37Å; F117-Y121 HydrophobicContact CZ-CD2 4.23Å; F117-Y121 VanDerWaalsContact O-CB 3.28Å; F117-Y121 WeakPolarHBondContact O-CB 3.37Å; F117-Y121 PolarHBondContact O-N 2.86Å; I119-Y121 VanDerWaalsContact C-N 3.33Å; I119-Y121 PolarHBondContact O-N 3.22Å; Y121-L123 VanDerWaalsContact C-N 3.32Å; Y121-F129 AromaticContact CD2-CD2 3.68Å; Y121-F129 HydrophobicContact CD2-CD2 3.68Å; Y121-F129 AromaticContact CD2-CE2 3.91Å; Y121-F129 HydrophobicContact CD2-CE2 3.91Å; Y121-F129 HydrophobicContact CD2-CG 4.07Å; Y121-F129 HydrophobicContact CD2-CZ 4.5Å; Y121-F129 HydrophobicContact CE2-CD2 4.01Å; Y121-F129 HydrophobicContact CE2-CG 4.43Å; Y121-F129 HydrophobicContact CG-CE2 4.46Å; Y121-I134 HydrophobicContact CE2-CD1 3.9Å; Y121-I134 HydrophobicContact CE2-CG1 4.14Å
122	N	79	Confident	84.6	Confident	29 Å²	29	58 Å²	58	16%	0.155	29%	0.294	C	S	.	.	H	α-helix	trans	-78.8	-8.6	174	-77.5	-61.9	0	0	0	114.2	T26 Y28 N118 I119 I120	T26-N122 WeakPolarHBondContact CB-OD1 3.42Å; T26-N122 VanDerWaalsContact CG2-OD1 3.26Å; T26-N122 WeakPolarHBondContact CG2-OD1 3.39Å; Y28-N122 WeakPolarHBondContact CE2-O 3.03Å; N118-N122 WeakPolarHBondContact O-CB 3.46Å; N118-N122 PolarHBondContact O-N 2.93Å; N118-N122 PolarHBondContact O-ND2 2.94Å; I119-N122 CarbonylContact O-C 3.56Å; I119-N122 PolarHBondContact O-N 3.34Å; I119-N122 VanDerWaalsContact O-N 3.09Å; I120-N122 VanDerWaalsContact C-N 3.28Å; I120-N122 PolarHBondContact O-N 2.93Å
123	L	82.2	Confident	84.2	Confident	84 Å²	84	58.5 Å²	58.5	44%	0.44	29%	0.293	S	S	.	.	H	α-helix	trans	-109.4	-16.3	178	-68.3	175.1	0	0	0	114.5	Y28 I65 I119 I120 Y121	Y28-L123 WeakPolarHBondContact OH-CA 3.45Å; Y28-L123 PolarHBondContact OH-O 3.25Å; I65-L123 HydrophobicContact CD1-CD2 3.59Å; I65-L123 HydrophobicContact CG1-CD2 3.98Å; I65-L123 HydrophobicContact CG2-CD2 4.49Å; I119-L123 HydrophobicContact CG2-CD1 3.82Å; I119-L123 HydrophobicContact CG2-CG 4.44Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 2.98Å; I119-L123 VanDerWaalsContact O-N 3.1Å; I120-L123 PolarHBondContact O-N 3.49Å; Y121-L123 VanDerWaalsContact C-N 3.32Å
124	I	82.2	Confident	83.6	Confident	66 Å²	66	56.3 Å²	56.3	34%	0.338	28%	0.279	S	S	.	.	S	Bend	trans	-116.1	137.8	-178.6	-62.1	-179	0	0	0	109.7	Y28 I120 Y128 F129	Y28-I124 WeakPolarHBondContact CE2-O 3.43Å; Y28-I124 PolarHBondContact OH-N 2.9Å; I120-I124 HydrophobicContact CG2-CD1 3.62Å; I120-I124 HydrophobicContact CG2-CG1 4.31Å; I120-I124 WeakPolarHBondContact O-CB 3.49Å; I120-I124 PolarHBondContact O-N 3.12Å; I124-Y128 HydrophobicContact CG2-CD2 3.49Å; I124-Y128 VanDerWaalsContact CG2-CD2 3.49Å; I124-Y128 HydrophobicContact CG2-CE2 4.39Å; I124-Y128 HydrophobicContact CG2-CG 4.02Å; I124-F129 HydrophobicContact CB-CE2 3.77Å; I124-F129 HydrophobicContact CB-CZ 3.84Å; I124-F129 HydrophobicContact CD1-CZ 4.24Å; I124-F129 HydrophobicContact CG2-CE2 3.75Å; I124-F129 HydrophobicContact CG2-CZ 3.97Å
125	H	70.5	Confident	83	Confident	109 Å²	109	57.7 Å²	57.7	51%	0.505	29%	0.285	S	S	.	.			trans	-56.2	133.8	178.6	-170.7	-81.6	0	0	0	111.8	K127 Y128	H125-K127 WeakPolarHBondContact ND1-CB 3.22Å; H125-K127 PolarHBondContact ND1-N 3.08Å; H125-K127 PolarHBondContact O-N 3.39Å; H125-Y128 HydrophobicContact CB-CD2 4.08Å; H125-Y128 HydrophobicContact CB-CE2 4.06Å; H125-Y128 VanDerWaalsContact O-CD2 3.32Å; H125-Y128 WeakPolarHBondContact O-CD2 3.46Å; H125-Y128 PolarHBondContact O-N 3.3Å; H125-Y128 VanDerWaalsContact O-N 3.11Å
126	P	67.2	Low	82.9	Confident	34 Å²	34	61 Å²	61	22%	0.221	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-52.7	-29.8	-173	-30.4	34.6	0	0	0	115.6	Y28 Y128 F129	Y28-P126 HydrophobicContact CG-CG 4.23Å; P126-Y128 PolarHBondContact O-N 3.23Å; P126-F129 PolarHBondContact O-N 3.46Å
127	K	71.1	Confident	82.7	Confident	178 Å²	178	59 Å²	59	77%	0.774	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-52.6	-24.9	177.5	-173	178.2	177.6	-175.7	0	114.6	H125 F129	H125-K127 WeakPolarHBondContact ND1-CB 3.22Å; H125-K127 PolarHBondContact ND1-N 3.08Å; H125-K127 PolarHBondContact O-N 3.39Å; K127-F129 VanDerWaalsContact C-N 3.35Å
128	Y	82.4	Confident	82.3	Confident	184 Å²	184	60.6 Å²	60.6	72%	0.722	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-82.3	-10.7	-179.2	-65	-71.8	0	0	0	114	I124 H125 P126	I124-Y128 HydrophobicContact CG2-CD2 3.49Å; I124-Y128 VanDerWaalsContact CG2-CD2 3.49Å; I124-Y128 HydrophobicContact CG2-CE2 4.39Å; I124-Y128 HydrophobicContact CG2-CG 4.02Å; H125-Y128 HydrophobicContact CB-CD2 4.08Å; H125-Y128 HydrophobicContact CB-CE2 4.06Å; H125-Y128 VanDerWaalsContact O-CD2 3.32Å; H125-Y128 WeakPolarHBondContact O-CD2 3.46Å; H125-Y128 PolarHBondContact O-N 3.3Å; H125-Y128 VanDerWaalsContact O-N 3.11Å; P126-Y128 PolarHBondContact O-N 3.23Å
129	F	79.8	Confident	82.4	Confident	25 Å²	25	60.2 Å²	60.2	11%	0.11	30%	0.295	C	S	.	.	S	Bend	trans	-102.9	134.5	179.6	-57.5	-79.7	0	0	0	110.3	F117 I120 Y121 I124 P126 K127 L133 I134	F117-F129 AromaticContact CE2-CD1 3.86Å; F117-F129 HydrophobicContact CE2-CD1 3.86Å; F117-F129 AromaticContact CE2-CE1 3.86Å; F117-F129 HydrophobicContact CE2-CE1 3.86Å; F117-F129 HydrophobicContact CZ-CD1 4.13Å; F117-F129 HydrophobicContact CZ-CE1 4.41Å; I120-F129 HydrophobicContact CG2-CE1 4.27Å; I120-F129 HydrophobicContact CG2-CZ 3.96Å; Y121-F129 AromaticContact CD2-CD2 3.68Å; Y121-F129 HydrophobicContact CD2-CD2 3.68Å; Y121-F129 AromaticContact CD2-CE2 3.91Å; Y121-F129 HydrophobicContact CD2-CE2 3.91Å; Y121-F129 HydrophobicContact CD2-CG 4.07Å; Y121-F129 HydrophobicContact CD2-CZ 4.5Å; Y121-F129 HydrophobicContact CE2-CD2 4.01Å; Y121-F129 HydrophobicContact CE2-CG 4.43Å; Y121-F129 HydrophobicContact CG-CE2 4.46Å; I124-F129 HydrophobicContact CB-CE2 3.77Å; I124-F129 HydrophobicContact CB-CZ 3.84Å; I124-F129 HydrophobicContact CD1-CZ 4.24Å; I124-F129 HydrophobicContact CG2-CE2 3.75Å; I124-F129 HydrophobicContact CG2-CZ 3.97Å; P126-F129 PolarHBondContact O-N 3.46Å; K127-F129 VanDerWaalsContact C-N 3.35Å; F129-L133 HydrophobicContact CD1-CD2 3.94Å; F129-I134 HydrophobicContact CB-CD1 3.98Å; F129-I134 HydrophobicContact CB-CG1 3.96Å
130	S	85	Confident	82.7	Confident	70 Å²	70	61.1 Å²	61.1	49%	0.49	30%	0.301	S	S	.	.			trans	-78.5	150.4	173.2	63	0	0	0	0	111	N132 L133 I134	S130-N132 PolarHBondContact O-N 3.17Å; S130-L133 WeakPolarHBondContact O-CB 3.42Å; S130-L133 PolarHBondContact O-N 2.89Å; S130-L133 WeakPolarHBondContact OG-CB 3.4Å; S130-L133 PolarHBondContact OG-N 3.42Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 3.31Å; S130-I134 VanDerWaalsContact O-N 3.1Å
131	D	74.8	Confident	82.8	Confident	38 Å²	38	58.5 Å²	58.5	20%	0.203	29%	0.287	C	S	.	.	H	α-helix	trans	-56.8	-38.7	178.2	-72	-36.2	0	0	0	112.4	L21 W22 L133 I134 K135	L21-D131 WeakPolarHBondContact CA-OD1 3.34Å; W22-D131 PolarHBondContact N-OD1 3.39Å; D131-L133 VanDerWaalsContact C-N 3.32Å; D131-L133 PolarHBondContact O-N 2.94Å; D131-I134 PolarHBondContact O-N 3.06Å; D131-K135 WeakPolarHBondContact O-CB 3.4Å; D131-K135 VanDerWaalsContact O-CG 3.31Å; D131-K135 WeakPolarHBondContact O-CG 3.36Å; D131-K135 PolarHBondContact O-N 2.98Å
132	N	84.3	Confident	83.1	Confident	121 Å²	121	59.1 Å²	59.1	65%	0.647	29%	0.29	S	S	*	.	H	α-helix	trans	-63.6	-37.5	177.9	-70.8	-14.6	0	0	0	112.3	S130 L136	S130-N132 PolarHBondContact O-N 3.17Å; N132-L136 WeakPolarHBondContact O-CB 3.34Å; N132-L136 PolarHBondContact O-N 3.43Å
133	L	87.3	Confident	83.8	Confident	61 Å²	61	58.2 Å²	58.2	32%	0.319	29%	0.285	S	S	.	.	H	α-helix	trans	-67.4	-43.5	176.6	-172.7	65.8	0	0	0	110.6	F117 F129 S130 D131 L136 F137	F117-L133 HydrophobicContact CE2-CD2 4.18Å; F117-L133 HydrophobicContact CE2-CG 4.23Å; F117-L133 HydrophobicContact CZ-CG 4.46Å; F129-L133 HydrophobicContact CD1-CD2 3.94Å; S130-L133 WeakPolarHBondContact O-CB 3.42Å; S130-L133 PolarHBondContact O-N 2.89Å; S130-L133 WeakPolarHBondContact OG-CB 3.4Å; S130-L133 PolarHBondContact OG-N 3.42Å; D131-L133 VanDerWaalsContact C-N 3.32Å; D131-L133 PolarHBondContact O-N 2.94Å; L133-L136 WeakPolarHBondContact O-CB 3.39Å; L133-L136 PolarHBondContact O-N 3.3Å; L133-F137 HydrophobicContact CD1-CD2 3.98Å; L133-F137 HydrophobicContact CD1-CE2 3.68Å; L133-F137 HydrophobicContact CG-CD2 4.12Å; L133-F137 HydrophobicContact CG-CE2 4.16Å; L133-F137 WeakPolarHBondContact O-CD2 3.4Å; L133-F137 PolarHBondContact O-N 3.46Å
134	I	82.4	Confident	84.5	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-47.3	177.9	-61.6	171.5	0	0	0	110.2	W22 Y121 F129 S130 D131 L136 F137 F138	W22-I134 HydrophobicContact CB-CB 4.04Å; W22-I134 HydrophobicContact CB-CD1 4.33Å; W22-I134 HydrophobicContact CB-CG2 3.61Å; W22-I134 WeakPolarHBondContact O-CD1 3.39Å; Y121-I134 HydrophobicContact CE2-CD1 3.9Å; Y121-I134 HydrophobicContact CE2-CG1 4.14Å; F129-I134 HydrophobicContact CB-CD1 3.98Å; F129-I134 HydrophobicContact CB-CG1 3.96Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 3.31Å; S130-I134 VanDerWaalsContact O-N 3.1Å; D131-I134 PolarHBondContact O-N 3.06Å; I134-L136 VanDerWaalsContact C-N 3.32Å; I134-L136 PolarHBondContact O-N 2.94Å; I134-F137 PolarHBondContact O-N 3.05Å; I134-F138 HydrophobicContact CG2-CD2 3.64Å; I134-F138 HydrophobicContact CG2-CE2 3.5Å; I134-F138 VanDerWaalsContact O-CD2 3.26Å; I134-F138 WeakPolarHBondContact O-CD2 3.47Å; I134-F138 PolarHBondContact O-N 3.12Å
135	K	83.3	Confident	85	Confident	28 Å²	28	51.8 Å²	51.8	12%	0.122	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-43.3	173.8	-75.1	-179.7	-174.8	-173.2	0	112.9	W22 D131 F138 S139 N200	W22-K135 HydrophobicContact CD2-CG 3.64Å; W22-K135 VanDerWaalsContact CE2-CG 3.47Å; W22-K135 HydrophobicContact CE3-CG 4Å; W22-K135 HydrophobicContact CG-CG 4.16Å; W22-K135 HydrophobicContact CH2-CG 3.88Å; W22-K135 HydrophobicContact CZ2-CD 3.98Å; W22-K135 VanDerWaalsContact CZ2-CE 3.48Å; W22-K135 HydrophobicContact CZ2-CG 3.61Å; W22-K135 HydrophobicContact CZ3-CG 4.11Å; D131-K135 WeakPolarHBondContact O-CB 3.4Å; D131-K135 VanDerWaalsContact O-CG 3.31Å; D131-K135 WeakPolarHBondContact O-CG 3.36Å; D131-K135 PolarHBondContact O-N 2.98Å; K135-F138 PolarHBondContact O-N 3.44Å; K135-S139 WeakPolarHBondContact O-CB 3.37Å; K135-S139 PolarHBondContact O-N 3.43Å; K135-S139 PolarHBondContact O-OG 2.83Å; K135-N200 WeakPolarHBondContact CE-OD1 3.06Å; K135-N200 PolarHBondContact NZ-OD1 2.93Å
136	L	90.4	Very high	86.1	Confident	69 Å²	69	46.8 Å²	46.8	36%	0.361	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-48.6	177.7	175.7	63.9	0	0	0	110.9	N132 L133 I134 F138 S139 L140 F194	N132-L136 WeakPolarHBondContact O-CB 3.34Å; N132-L136 PolarHBondContact O-N 3.43Å; L133-L136 WeakPolarHBondContact O-CB 3.39Å; L133-L136 PolarHBondContact O-N 3.3Å; I134-L136 VanDerWaalsContact C-N 3.32Å; I134-L136 PolarHBondContact O-N 2.94Å; L136-F138 PolarHBondContact O-N 3.38Å; L136-S139 WeakPolarHBondContact O-CB 3.31Å; L136-S139 PolarHBondContact O-N 3.1Å; L136-S139 VanDerWaalsContact O-N 3.15Å; L136-L140 HydrophobicContact CD1-CD1 4.28Å; L136-L140 HydrophobicContact CD1-CG 4.29Å; L136-L140 HydrophobicContact CG-CD1 4.08Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.28Å; L136-F194 HydrophobicContact CD1-CE1 3.96Å; L136-F194 HydrophobicContact CD1-CZ 4.2Å
137	F	90.6	Very high	87.4	Confident	37 Å²	37	45.1 Å²	45.1	16%	0.162	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-33	-179.5	-85.3	-80	0	0	0	113.4	V114 F117 L133 I134 L140 D141	V114-F137 HydrophobicContact CG2-CD1 4.42Å; F117-F137 HydrophobicContact CB-CD1 3.47Å; F117-F137 VanDerWaalsContact CB-CD1 3.47Å; F117-F137 HydrophobicContact CB-CD2 4.47Å; F117-F137 HydrophobicContact CB-CE1 3.31Å; F117-F137 HydrophobicContact CB-CE2 4.35Å; F117-F137 HydrophobicContact CB-CG 4.07Å; F117-F137 HydrophobicContact CB-CZ 3.79Å; F117-F137 HydrophobicContact CD1-CB 3.45Å; F117-F137 VanDerWaalsContact CD1-CB 3.45Å; F117-F137 AromaticContact CD1-CD1 3.53Å; F117-F137 HydrophobicContact CD1-CD1 3.53Å; F117-F137 AromaticContact CD1-CD2 3.72Å; F117-F137 HydrophobicContact CD1-CD2 3.72Å; F117-F137 HydrophobicContact CD1-CE1 4.17Å; F117-F137 HydrophobicContact CD1-CE2 4.33Å; F117-F137 AromaticContact CD1-CG 3.26Å; F117-F137 HydrophobicContact CD1-CG 3.26Å; F117-F137 HydrophobicContact CD2-CD1 4.12Å; F117-F137 AromaticContact CD2-CD2 3.56Å; F117-F137 HydrophobicContact CD2-CD2 3.56Å; F117-F137 AromaticContact CD2-CE1 4Å; F117-F137 HydrophobicContact CD2-CE1 4Å; F117-F137 AromaticContact CD2-CE2 3.41Å; F117-F137 HydrophobicContact CD2-CE2 3.41Å; F117-F137 VanDerWaalsContact CD2-CE2 3.41Å; F117-F137 AromaticContact CD2-CG 3.92Å; F117-F137 HydrophobicContact CD2-CG 3.92Å; F117-F137 AromaticContact CD2-CZ 3.64Å; F117-F137 HydrophobicContact CD2-CZ 3.64Å; F117-F137 HydrophobicContact CE1-CB 3.45Å; F117-F137 VanDerWaalsContact CE1-CB 3.45Å; F117-F137 HydrophobicContact CE1-CD1 4.29Å; F117-F137 AromaticContact CE1-CD2 3.71Å; F117-F137 HydrophobicContact CE1-CD2 3.71Å; F117-F137 AromaticContact CE1-CG 3.56Å; F117-F137 HydrophobicContact CE1-CG 3.56Å; F117-F137 AromaticContact CE2-CD2 3.56Å; F117-F137 HydrophobicContact CE2-CD2 3.56Å; F117-F137 AromaticContact CE2-CE2 3.68Å; F117-F137 HydrophobicContact CE2-CE2 3.68Å; F117-F137 HydrophobicContact CE2-CG 4.17Å; F117-F137 HydrophobicContact CE2-CZ 4.37Å; F117-F137 HydrophobicContact CG-CB 4.18Å; F117-F137 AromaticContact CG-CD1 3.42Å; F117-F137 HydrophobicContact CG-CD1 3.42Å; F117-F137 VanDerWaalsContact CG-CD1 3.42Å; F117-F137 AromaticContact CG-CD2 3.64Å; F117-F137 HydrophobicContact CG-CD2 3.64Å; F117-F137 AromaticContact CG-CE1 3.56Å; F117-F137 HydrophobicContact CG-CE1 3.56Å; F117-F137 AromaticContact CG-CE2 3.77Å; F117-F137 HydrophobicContact CG-CE2 3.77Å; F117-F137 AromaticContact CG-CG 3.46Å; F117-F137 HydrophobicContact CG-CG 3.46Å; F117-F137 VanDerWaalsContact CG-CG 3.46Å; F117-F137 AromaticContact CG-CZ 3.73Å; F117-F137 HydrophobicContact CG-CZ 3.73Å; F117-F137 HydrophobicContact CZ-CB 4.19Å; F117-F137 AromaticContact CZ-CD2 3.63Å; F117-F137 HydrophobicContact CZ-CD2 3.63Å; F117-F137 HydrophobicContact CZ-CE2 4.24Å; F117-F137 AromaticContact CZ-CG 4Å; F117-F137 HydrophobicContact CZ-CG 4Å; L133-F137 HydrophobicContact CD1-CD2 3.98Å; L133-F137 HydrophobicContact CD1-CE2 3.68Å; L133-F137 HydrophobicContact CG-CD2 4.12Å; L133-F137 HydrophobicContact CG-CE2 4.16Å; L133-F137 WeakPolarHBondContact O-CD2 3.4Å; L133-F137 PolarHBondContact O-N 3.46Å; I134-F137 PolarHBondContact O-N 3.05Å; F137-L140 HydrophobicContact CD1-CD1 4.34Å; F137-L140 HydrophobicContact CE1-CD1 4.46Å; F137-L140 PolarHBondContact O-N 3.31Å; F137-D141 WeakPolarHBondContact O-CB 3.39Å; F137-D141 PolarHBondContact O-N 3.09Å
138	F	85.1	Confident	88.5	Confident	47 Å²	47	36.9 Å²	36.9	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-42.4	167.6	-86.1	-65.5	0	0	0	112.5	W22 L24 I134 K135 L136 L140 D141 Q142	W22-F138 AromaticContact CE3-CD2 3.64Å; W22-F138 HydrophobicContact CE3-CD2 3.64Å; W22-F138 AromaticContact CE3-CE2 3.81Å; W22-F138 HydrophobicContact CE3-CE2 3.81Å; W22-F138 AromaticContact CZ3-CD2 3.86Å; W22-F138 HydrophobicContact CZ3-CD2 3.86Å; W22-F138 HydrophobicContact CZ3-CE2 4.31Å; W22-F138 HydrophobicContact CZ3-CG 4.37Å; L24-F138 HydrophobicContact CB-CZ 4.16Å; L24-F138 HydrophobicContact CD2-CD1 4.36Å; L24-F138 HydrophobicContact CD2-CE1 3.67Å; L24-F138 HydrophobicContact CD2-CE2 4.24Å; L24-F138 HydrophobicContact CD2-CZ 3.63Å; L24-F138 HydrophobicContact CG-CE1 4.1Å; L24-F138 HydrophobicContact CG-CE2 3.78Å; L24-F138 HydrophobicContact CG-CZ 3.51Å; I134-F138 HydrophobicContact CG2-CD2 3.64Å; I134-F138 HydrophobicContact CG2-CE2 3.5Å; I134-F138 VanDerWaalsContact O-CD2 3.26Å; I134-F138 WeakPolarHBondContact O-CD2 3.47Å; I134-F138 PolarHBondContact O-N 3.12Å; K135-F138 PolarHBondContact O-N 3.44Å; L136-F138 PolarHBondContact O-N 3.38Å; F138-L140 VanDerWaalsContact C-N 3.34Å; F138-D141 PolarHBondContact O-N 3.08Å; F138-Q142 WeakPolarHBondContact O-CB 3.48Å; F138-Q142 PolarHBondContact O-N 2.8Å; F138-Q142 VanDerWaalsContact O-N 3.09Å
139	S	91.2	Very high	89.1	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-40.1	176.4	-53.2	0	0	0	0	111.5	K135 L136 L143 I197 Q198	K135-S139 WeakPolarHBondContact O-CB 3.37Å; K135-S139 PolarHBondContact O-N 3.43Å; K135-S139 PolarHBondContact O-OG 2.83Å; L136-S139 WeakPolarHBondContact O-CB 3.31Å; L136-S139 PolarHBondContact O-N 3.1Å; L136-S139 VanDerWaalsContact O-N 3.15Å; S139-L143 VanDerWaalsContact O-CB 3.29Å; S139-L143 WeakPolarHBondContact O-CB 3.3Å; S139-L143 PolarHBondContact O-N 3.05Å; S139-I197 VanDerWaalsContact OG-CG2 3.27Å; S139-I197 WeakPolarHBondContact OG-CG2 3.27Å; S139-Q198 PolarHBondContact OG-NE2 2.81Å
140	L	94.3	Very high	89.7	Confident	35 Å²	35	28.4 Å²	28.4	18%	0.183	15%	0.151	C	C	.	.	H	α-helix	trans	-68	-41.5	176.6	-72.4	173.6	0	0	0	112.3	V114 L136 F137 F138 L143 F144 F194	V114-L140 HydrophobicContact CG2-CB 3.71Å; L136-L140 HydrophobicContact CD1-CD1 4.28Å; L136-L140 HydrophobicContact CD1-CG 4.29Å; L136-L140 HydrophobicContact CG-CD1 4.08Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.28Å; F137-L140 HydrophobicContact CD1-CD1 4.34Å; F137-L140 HydrophobicContact CE1-CD1 4.46Å; F137-L140 PolarHBondContact O-N 3.31Å; F138-L140 VanDerWaalsContact C-N 3.34Å; L140-L143 HydrophobicContact CD2-CD2 4.18Å; L140-L143 WeakPolarHBondContact O-CB 3.23Å; L140-L143 PolarHBondContact O-N 2.76Å; L140-F144 HydrophobicContact CB-CD2 4.44Å; L140-F144 HydrophobicContact CB-CE2 4.2Å; L140-F144 HydrophobicContact CD2-CE2 4.27Å; L140-F144 WeakPolarHBondContact O-CD2 3.44Å; L140-F144 PolarHBondContact O-N 2.92Å; L140-F194 HydrophobicContact CD2-CE2 4.3Å; L140-F194 HydrophobicContact CD2-CZ 3.91Å; L140-F194 HydrophobicContact CG-CZ 4.27Å
141	D	91.9	Very high	90.2	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.053	13%	0.128	C	C	.	.	H	α-helix	trans	-57.1	-53.3	175.3	-168.7	7.8	0	0	0	110.5	F110 V114 F137 F138 L143 F144 C145 Y526	F110-D141 WeakPolarHBondContact CE2-OD1 3.47Å; F110-D141 WeakPolarHBondContact CZ-OD1 3.4Å; V114-D141 HydrophobicContact CG1-CB 3.67Å; F137-D141 WeakPolarHBondContact O-CB 3.39Å; F137-D141 PolarHBondContact O-N 3.09Å; F138-D141 PolarHBondContact O-N 3.08Å; D141-L143 VanDerWaalsContact C-N 3.28Å; D141-L143 PolarHBondContact O-N 3.15Å; D141-F144 PolarHBondContact O-N 3.25Å; D141-C145 WeakPolarHBondContact O-CB 3.18Å; D141-C145 PolarHBondContact O-N 3.08Å; D141-C145 PolarHBondContact O-SG 3.38Å; D141-C145 PolarHBondContact OD1-SG 2.97Å; D141-Y526 VanDerWaalsContact CG-OH 3.28Å; D141-Y526 WeakPolarHBondContact OD1-CE1 3.43Å; D141-Y526 PolarHBondContact OD2-OH 3.45Å
142	Q	90.1	Very high	91.1	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.061	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-39	177	-169.8	62.9	39	0	0	112	F138 T146 A193 I197 N277 S281	F138-Q142 WeakPolarHBondContact O-CB 3.48Å; F138-Q142 PolarHBondContact O-N 2.8Å; F138-Q142 VanDerWaalsContact O-N 3.09Å; Q142-T146 WeakPolarHBondContact O-CB 3.43Å; Q142-T146 VanDerWaalsContact O-CG2 3.23Å; Q142-T146 WeakPolarHBondContact O-CG2 3.31Å; Q142-T146 PolarHBondContact O-N 3.1Å; Q142-T146 PolarHBondContact O-OG1 3.21Å; Q142-A193 HydrophobicContact CB-CB 3.92Å; Q142-A193 HydrophobicContact CG-CB 3.85Å; Q142-I197 HydrophobicContact CB-CD1 4.28Å; Q142-N277 PolarHBondContact NE2-OD1 3.22Å; Q142-N277 VanDerWaalsContact NE2-OD1 3.16Å; Q142-N277 PolarHBondContact OE1-ND2 2.97Å; Q142-S281 PolarHBondContact NE2-OG 3.36Å
143	L	94.6	Very high	91.5	Very high	11 Å²	11	18.5 Å²	18.5	6%	0.058	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-54.4	175.6	170.9	68.1	0	0	0	111.1	S139 L140 D141 C145 T146 V147 W186 F190 A193 F194	S139-L143 VanDerWaalsContact O-CB 3.29Å; S139-L143 WeakPolarHBondContact O-CB 3.3Å; S139-L143 PolarHBondContact O-N 3.05Å; L140-L143 HydrophobicContact CD2-CD2 4.18Å; L140-L143 WeakPolarHBondContact O-CB 3.23Å; L140-L143 PolarHBondContact O-N 2.76Å; D141-L143 VanDerWaalsContact C-N 3.28Å; D141-L143 PolarHBondContact O-N 3.15Å; L143-C145 VanDerWaalsContact C-N 3.29Å; L143-C145 PolarHBondContact O-N 3.48Å; L143-T146 WeakPolarHBondContact CA-OG1 3.43Å; L143-T146 PolarHBondContact O-N 3.35Å; L143-T146 PolarHBondContact O-OG1 2.92Å; L143-V147 HydrophobicContact CD1-CG2 3.68Å; L143-V147 HydrophobicContact CG-CG2 4.19Å; L143-V147 WeakPolarHBondContact O-CB 3.22Å; L143-V147 VanDerWaalsContact O-CG2 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.35Å; L143-V147 PolarHBondContact O-N 3.04Å; L143-W186 HydrophobicContact CD2-CZ3 4.2Å; L143-F190 HydrophobicContact CD1-CB 4.15Å; L143-A193 HydrophobicContact CB-CB 3.87Å; L143-F194 HydrophobicContact CB-CE2 4.15Å; L143-F194 HydrophobicContact CD2-CE2 3.96Å
144	F	95.3	Very high	91.7	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.035	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-35.3	-175.8	-71.3	-63.2	0	0	0	112.1	I106 I109 F110 V114 L140 D141 T148 W186	I106-F144 HydrophobicContact CG2-CD1 4.17Å; I109-F144 HydrophobicContact CB-CE1 4.13Å; I109-F144 HydrophobicContact CB-CZ 4.32Å; I109-F144 HydrophobicContact CG2-CE1 3.69Å; I109-F144 HydrophobicContact CG2-CE2 4.48Å; I109-F144 HydrophobicContact CG2-CZ 3.45Å; I109-F144 VanDerWaalsContact CG2-CZ 3.45Å; F110-F144 HydrophobicContact CB-CB 3.84Å; F110-F144 HydrophobicContact CB-CD1 4.01Å; F110-F144 HydrophobicContact CB-CD2 4.11Å; F110-F144 HydrophobicContact CB-CG 3.73Å; F110-F144 HydrophobicContact CD1-CB 4.16Å; F110-F144 HydrophobicContact CD2-CB 3.39Å; F110-F144 AromaticContact CD2-CD2 3.58Å; F110-F144 HydrophobicContact CD2-CD2 3.58Å; F110-F144 AromaticContact CD2-CG 3.69Å; F110-F144 HydrophobicContact CD2-CG 3.69Å; F110-F144 HydrophobicContact CE2-CB 3.9Å; F110-F144 HydrophobicContact CE2-CD2 4.41Å; F110-F144 HydrophobicContact CG-CB 3.54Å; F110-F144 HydrophobicContact CG-CD2 4.2Å; F110-F144 AromaticContact CG-CG 3.9Å; F110-F144 HydrophobicContact CG-CG 3.9Å; F110-F144 HydrophobicContact CZ-CB 4.46Å; V114-F144 HydrophobicContact CG2-CD2 3.71Å; V114-F144 HydrophobicContact CG2-CE2 3.91Å; L140-F144 HydrophobicContact CB-CD2 4.44Å; L140-F144 HydrophobicContact CB-CE2 4.2Å; L140-F144 HydrophobicContact CD2-CE2 4.27Å; L140-F144 WeakPolarHBondContact O-CD2 3.44Å; L140-F144 PolarHBondContact O-N 2.92Å; D141-F144 PolarHBondContact O-N 3.25Å; F144-T148 VanDerWaalsContact O-CB 3.23Å; F144-T148 WeakPolarHBondContact O-CB 3.42Å; F144-T148 PolarHBondContact O-N 3.22Å; F144-T148 PolarHBondContact O-OG1 3.46Å; F144-W186 HydrophobicContact CD1-CH2 4.39Å; F144-W186 AromaticContact CE1-CH2 3.87Å; F144-W186 HydrophobicContact CE1-CH2 3.87Å; F144-W186 HydrophobicContact CE1-CZ3 4.25Å
145	C	92.9	Very high	92.1	Very high	7 Å²	7	16.7 Å²	16.7	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-48.5	173.8	-63.7	0	0	0	0	112	D141 L143 T148 I149 W497	D141-C145 WeakPolarHBondContact O-CB 3.18Å; D141-C145 PolarHBondContact O-N 3.08Å; D141-C145 PolarHBondContact O-SG 3.38Å; D141-C145 PolarHBondContact OD1-SG 2.97Å; L143-C145 VanDerWaalsContact C-N 3.29Å; L143-C145 PolarHBondContact O-N 3.48Å; C145-T148 WeakPolarHBondContact O-CB 3.34Å; C145-T148 PolarHBondContact O-N 3.36Å; C145-I149 PolarHBondContact O-N 2.84Å; C145-W497 HydrophobicContact CB-CH2 4.33Å; C145-W497 HydrophobicContact CB-CZ2 4.4Å; C145-W497 WeakPolarHBondContact SG-CH2 3.29Å; C145-W497 WeakPolarHBondContact SG-CZ2 3.4Å
146	T	93.5	Very high	92.4	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.018	8%	0.08	C	C	.	.	H	α-helix	trans	-68.2	-39.3	179.5	53.8	0	0	0	0	112.2	Q142 L143 T148 I149 L150 S189 I192	Q142-T146 WeakPolarHBondContact O-CB 3.43Å; Q142-T146 VanDerWaalsContact O-CG2 3.23Å; Q142-T146 WeakPolarHBondContact O-CG2 3.31Å; Q142-T146 PolarHBondContact O-N 3.1Å; Q142-T146 PolarHBondContact O-OG1 3.21Å; L143-T146 WeakPolarHBondContact CA-OG1 3.43Å; L143-T146 PolarHBondContact O-N 3.35Å; L143-T146 PolarHBondContact O-OG1 2.92Å; T146-T148 VanDerWaalsContact C-N 3.31Å; T146-T148 PolarHBondContact O-N 3.13Å; T146-I149 VanDerWaalsContact O-CG2 3.3Å; T146-I149 WeakPolarHBondContact O-CG2 3.29Å; T146-L150 WeakPolarHBondContact O-CB 3.36Å; T146-L150 VanDerWaalsContact O-CG 3.28Å; T146-L150 WeakPolarHBondContact O-CG 3.44Å; T146-L150 PolarHBondContact O-N 3.43Å; T146-L150 VanDerWaalsContact O-N 3.12Å; T146-S189 PolarHBondContact O-OG 3.2Å; T146-S189 WeakPolarHBondContact OG1-CB 3.39Å; T146-I192 HydrophobicContact CG2-CG2 4.22Å
147	V	95.2	Very high	92.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.5	-42	174.3	174.9	0	0	0	0	110.1	I106 L143 H151 W186 S189	I106-V147 HydrophobicContact CD1-CG1 3.43Å; I106-V147 VanDerWaalsContact CD1-CG1 3.43Å; I106-V147 HydrophobicContact CG1-CG1 3.98Å; I106-V147 HydrophobicContact CG2-CG1 4.33Å; L143-V147 HydrophobicContact CD1-CG2 3.68Å; L143-V147 HydrophobicContact CG-CG2 4.19Å; L143-V147 WeakPolarHBondContact O-CB 3.22Å; L143-V147 VanDerWaalsContact O-CG2 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.35Å; L143-V147 PolarHBondContact O-N 3.04Å; V147-H151 VanDerWaalsContact CG1-CE1 3.46Å; V147-H151 WeakPolarHBondContact CG1-CE1 3.36Å; V147-H151 WeakPolarHBondContact CG1-ND1 3.44Å; V147-H151 WeakPolarHBondContact O-CB 3.46Å; V147-H151 PolarHBondContact O-N 3.06Å; V147-H151 PolarHBondContact O-ND1 2.92Å; V147-W186 HydrophobicContact CG1-CD2 4.18Å; V147-W186 HydrophobicContact CG1-CZ2 4.33Å; V147-W186 HydrophobicContact CG2-CD2 4.14Å; V147-W186 HydrophobicContact CG2-CE3 3.92Å; V147-W186 HydrophobicContact CG2-CZ3 4.32Å; V147-S189 WeakPolarHBondContact CA-OG 3.23Å; V147-S189 WeakPolarHBondContact CG2-OG 3.24Å; V147-S189 PolarHBondContact N-OG 3.46Å
148	T	95	Very high	92.3	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.025	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-52.7	-179.9	-63.3	0	0	0	0	111.5	L103 F144 C145 T146 L150 H151 L152 F493	L103-T148 HydrophobicContact CD1-CG2 3.87Å; F144-T148 VanDerWaalsContact O-CB 3.23Å; F144-T148 WeakPolarHBondContact O-CB 3.42Å; F144-T148 PolarHBondContact O-N 3.22Å; F144-T148 PolarHBondContact O-OG1 3.46Å; C145-T148 WeakPolarHBondContact O-CB 3.34Å; C145-T148 PolarHBondContact O-N 3.36Å; T146-T148 VanDerWaalsContact C-N 3.31Å; T146-T148 PolarHBondContact O-N 3.13Å; T148-L150 VanDerWaalsContact C-N 3.34Å; T148-L150 PolarHBondContact O-N 3.18Å; T148-H151 PolarHBondContact O-N 3.29Å; T148-L152 WeakPolarHBondContact O-CG 3.41Å; T148-L152 PolarHBondContact O-N 3.01Å; T148-F493 HydrophobicContact CG2-CD2 3.94Å; T148-F493 HydrophobicContact CG2-CE2 3.72Å
149	I	93.6	Very high	92.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-63.6	-38.8	-179.5	-163.2	173.4	0	0	0	112	C145 T146 L152 V153 F282 P285 F493	C145-I149 PolarHBondContact O-N 2.84Å; T146-I149 VanDerWaalsContact O-CG2 3.3Å; T146-I149 WeakPolarHBondContact O-CG2 3.29Å; I149-L152 WeakPolarHBondContact O-CB 3.46Å; I149-L152 PolarHBondContact O-N 2.88Å; I149-V153 WeakPolarHBondContact O-CG2 3.3Å; I149-V153 PolarHBondContact O-N 3.46Å; I149-F282 HydrophobicContact CD1-CD2 4.05Å; I149-P285 HydrophobicContact CD1-CB 3.68Å; I149-P285 HydrophobicContact CD1-CG 4.27Å; I149-P285 HydrophobicContact CG1-CB 3.88Å; I149-P285 HydrophobicContact CG2-CB 4.21Å; I149-P285 HydrophobicContact CG2-CG 4.33Å; I149-F493 HydrophobicContact CB-CE1 3.87Å; I149-F493 HydrophobicContact CB-CE2 4.04Å; I149-F493 HydrophobicContact CB-CZ 3.54Å; I149-F493 HydrophobicContact CD1-CD1 4.23Å; I149-F493 HydrophobicContact CD1-CE1 3.42Å; I149-F493 VanDerWaalsContact CD1-CE1 3.42Å; I149-F493 HydrophobicContact CD1-CZ 3.92Å; I149-F493 HydrophobicContact CG1-CD1 4.18Å; I149-F493 HydrophobicContact CG1-CE1 3.61Å; I149-F493 HydrophobicContact CG1-CZ 3.86Å
150	L	93.8	Very high	92.1	Very high	31 Å²	31	16.9 Å²	16.9	16%	0.162	8%	0.083	C	C	.	.	H	α-helix	trans	-69.6	-35.5	177.5	-69.4	-175.4	0	0	0	112.3	T146 T148 L152 V153 A154 L185 I188 S189 P285	T146-L150 WeakPolarHBondContact O-CB 3.36Å; T146-L150 VanDerWaalsContact O-CG 3.28Å; T146-L150 WeakPolarHBondContact O-CG 3.44Å; T146-L150 PolarHBondContact O-N 3.43Å; T146-L150 VanDerWaalsContact O-N 3.12Å; T148-L150 VanDerWaalsContact C-N 3.34Å; T148-L150 PolarHBondContact O-N 3.18Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-V153 PolarHBondContact O-N 2.89Å; L150-A154 WeakPolarHBondContact O-CB 3.47Å; L150-A154 PolarHBondContact O-N 3Å; L150-L185 HydrophobicContact CB-CD2 3.82Å; L150-I188 HydrophobicContact CD1-CG2 4.13Å; L150-S189 WeakPolarHBondContact CD1-OG 3.43Å; L150-P285 HydrophobicContact CD2-CB 4.35Å; L150-P285 HydrophobicContact CD2-CG 4.31Å
151	H	94.7	Very high	91.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64	-38.7	171.2	-85.1	72.9	0	0	0	112.1	S102 L103 I106 V147 T148 A154 M155	S102-H151 PolarHBondContact OG-NE2 3.39Å; L103-H151 HydrophobicContact CD1-CB 4.12Å; I106-H151 VanDerWaalsContact CD1-CE1 3.46Å; I106-H151 WeakPolarHBondContact CD1-CE1 3.35Å; V147-H151 VanDerWaalsContact CG1-CE1 3.46Å; V147-H151 WeakPolarHBondContact CG1-CE1 3.36Å; V147-H151 WeakPolarHBondContact CG1-ND1 3.44Å; V147-H151 WeakPolarHBondContact O-CB 3.46Å; V147-H151 PolarHBondContact O-N 3.06Å; V147-H151 PolarHBondContact O-ND1 2.92Å; T148-H151 PolarHBondContact O-N 3.29Å; H151-A154 PolarHBondContact O-N 3.01Å; H151-M155 WeakPolarHBondContact O-CG 3.45Å; H151-M155 PolarHBondContact O-N 3.24Å
152	L	93.2	Very high	91.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-46	174.2	-73.5	-176.4	0	0	0	111.9	L103 T148 I149 L150 A154 M155 A156 I489 L490 F493	L103-L152 HydrophobicContact CD2-CD2 3.82Å; T148-L152 WeakPolarHBondContact O-CG 3.41Å; T148-L152 PolarHBondContact O-N 3.01Å; I149-L152 WeakPolarHBondContact O-CB 3.46Å; I149-L152 PolarHBondContact O-N 2.88Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L152-A154 PolarHBondContact O-N 3.32Å; L152-M155 HydrophobicContact CD2-CE 3.44Å; L152-M155 VanDerWaalsContact CD2-CE 3.44Å; L152-M155 HydrophobicContact CG-CE 4.47Å; L152-M155 PolarHBondContact O-N 3Å; L152-A156 PolarHBondContact O-N 3.03Å; L152-I489 HydrophobicContact CD2-CG2 3.51Å; L152-L490 HydrophobicContact CB-CD2 3.6Å; L152-L490 HydrophobicContact CD1-CD2 4.34Å; L152-L490 HydrophobicContact CD2-CD2 4.13Å; L152-L490 HydrophobicContact CG-CD2 4.23Å; L152-F493 HydrophobicContact CD1-CB 3.49Å; L152-F493 VanDerWaalsContact CD1-CB 3.49Å; L152-F493 HydrophobicContact CD1-CD1 4.41Å; L152-F493 HydrophobicContact CD1-CD2 3.46Å; L152-F493 VanDerWaalsContact CD1-CD2 3.46Å; L152-F493 HydrophobicContact CD1-CE2 4.39Å; L152-F493 HydrophobicContact CD1-CG 3.51Å
153	V	92.8	Very high	90.8	Very high	20 Å²	20	20.5 Å²	20.5	12%	0.121	10%	0.1	C	C	.	.	H	α-helix	trans	-60	-45.8	174.3	172.5	0	0	0	0	111	I149 L150 M155 A156 F157 P285 I288 M289 I292	I149-V153 WeakPolarHBondContact O-CG2 3.3Å; I149-V153 PolarHBondContact O-N 3.46Å; L150-V153 PolarHBondContact O-N 2.89Å; V153-M155 PolarHBondContact O-N 3.5Å; V153-A156 PolarHBondContact O-N 3.14Å; V153-F157 WeakPolarHBondContact O-CB 3.45Å; V153-F157 PolarHBondContact O-N 2.94Å; V153-P285 HydrophobicContact CG2-CB 4.4Å; V153-I288 HydrophobicContact CG1-CG2 3.81Å; V153-M289 HydrophobicContact CG2-CB 4Å; V153-I292 HydrophobicContact CG1-CD1 4.11Å
154	A	92.5	Very high	90.2	Very high	15 Å²	15	26 Å²	26	12%	0.124	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-40.4	178	0	0	0	0	0	112.4	F99 L150 H151 L152 F157 D158 L185	F99-A154 HydrophobicContact CD1-CB 4.4Å; F99-A154 HydrophobicContact CE1-CB 3.97Å; F99-A154 HydrophobicContact CZ-CB 4.14Å; L150-A154 WeakPolarHBondContact O-CB 3.47Å; L150-A154 PolarHBondContact O-N 3Å; H151-A154 PolarHBondContact O-N 3.01Å; L152-A154 PolarHBondContact O-N 3.32Å; A154-F157 PolarHBondContact O-N 3.35Å; A154-D158 VanDerWaalsContact O-CB 3.32Å; A154-D158 WeakPolarHBondContact O-CB 3.46Å; A154-D158 PolarHBondContact O-N 3.27Å; A154-L185 HydrophobicContact CB-CD1 3.79Å
155	M	90.4	Very high	89.6	Confident	11 Å²	11	28.6 Å²	28.6	5%	0.054	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-43.6	173.5	-77.5	-166.4	-63.7	0	0	112.4	F99 F100 L103 H151 L152 V153 F157 R159 L486	F99-M155 HydrophobicContact CB-CG 3.35Å; F99-M155 HydrophobicContact CB-SD 4.04Å; F99-M155 HydrophobicContact CG-CG 4.11Å; F100-M155 HydrophobicContact CB-SD 4.16Å; L103-M155 HydrophobicContact CD2-CE 3.52Å; H151-M155 WeakPolarHBondContact O-CG 3.45Å; H151-M155 PolarHBondContact O-N 3.24Å; L152-M155 HydrophobicContact CD2-CE 3.44Å; L152-M155 VanDerWaalsContact CD2-CE 3.44Å; L152-M155 HydrophobicContact CG-CE 4.47Å; L152-M155 PolarHBondContact O-N 3Å; V153-M155 PolarHBondContact O-N 3.5Å; M155-F157 VanDerWaalsContact C-N 3.34Å; M155-R159 WeakPolarHBondContact O-CB 3.34Å; M155-R159 WeakPolarHBondContact O-CG 3.35Å; M155-R159 PolarHBondContact O-N 3.41Å; M155-R159 VanDerWaalsContact O-N 3.13Å; M155-L486 HydrophobicContact CB-CD2 4.42Å
156	A	89.7	Confident	88.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-43.8	176.9	0	0	0	0	0	111.2	L152 V153 R159 F160 I292 L490	L152-A156 PolarHBondContact O-N 3.03Å; V153-A156 PolarHBondContact O-N 3.14Å; A156-R159 PolarHBondContact O-N 3.43Å; A156-F160 WeakPolarHBondContact O-CB 3.24Å; A156-F160 PolarHBondContact O-N 2.93Å; A156-I292 HydrophobicContact CB-CG2 3.8Å; A156-L490 HydrophobicContact CB-CD1 4.07Å
157	F	90	Very high	88.1	Confident	103 Å²	103	36.3 Å²	36.3	45%	0.452	18%	0.183	S	C	.	.	H	α-helix	trans	-66.8	-44.7	178.8	-173.9	-110.5	0	0	0	113	V153 A154 M155 R159 F160 I161 I292	V153-F157 WeakPolarHBondContact O-CB 3.45Å; V153-F157 PolarHBondContact O-N 2.94Å; A154-F157 PolarHBondContact O-N 3.35Å; M155-F157 VanDerWaalsContact C-N 3.34Å; F157-R159 VanDerWaalsContact C-N 3.26Å; F157-R159 PolarHBondContact O-N 3.09Å; F157-F160 WeakPolarHBondContact O-CB 3.43Å; F157-F160 PolarHBondContact O-N 3.35Å; F157-I161 HydrophobicContact CD1-CD1 3.84Å; F157-I161 HydrophobicContact CE1-CD1 3.32Å; F157-I161 HydrophobicContact CE1-CG1 4.28Å; F157-I161 HydrophobicContact CE2-CD1 4.28Å; F157-I161 HydrophobicContact CE2-CG1 4.49Å; F157-I161 HydrophobicContact CZ-CD1 3.58Å; F157-I161 HydrophobicContact CZ-CG1 4.25Å; F157-I161 WeakPolarHBondContact O-CG1 3.24Å; F157-I161 PolarHBondContact O-N 3.27Å; F157-I292 HydrophobicContact CB-CD1 4.33Å; F157-I292 HydrophobicContact CD2-CD1 4.36Å
158	D	88.8	Confident	87.3	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-53.8	-46.9	174.4	176.1	72.1	0	0	0	111.1	F99 A154 I161 H162 Y169	F99-D158 HydrophobicContact CD2-CB 4.1Å; F99-D158 HydrophobicContact CE2-CB 3.81Å; A154-D158 VanDerWaalsContact O-CB 3.32Å; A154-D158 WeakPolarHBondContact O-CB 3.46Å; A154-D158 PolarHBondContact O-N 3.27Å; D158-I161 PolarHBondContact O-N 3.38Å; D158-H162 WeakPolarHBondContact O-CB 3.33Å; D158-H162 PolarHBondContact O-N 2.94Å; D158-Y169 VanDerWaalsContact OD1-CE2 3.26Å; D158-Y169 WeakPolarHBondContact OD1-CE2 3.3Å; D158-Y169 VanDerWaalsContact OD1-CZ 3.32Å; D158-Y169 PolarHBondContact OD1-OH 3.4Å; D158-Y169 PolarHBondContact OD2-OH 3.45Å
159	R	86.2	Confident	86.6	Confident	44 Å²	44	43.3 Å²	43.3	17%	0.166	21%	0.213	C	C	.	.	H	α-helix	trans	-69.9	-37.4	-177.9	-66.9	-79.9	-179.1	-177.2	3	111.8	S96 N97 M155 A156 F157 H162 I163 L296 L486	S96-R159 VanDerWaalsContact C-NH2 3.3Å; S96-R159 VanDerWaalsContact CB-NH2 3.32Å; S96-R159 PolarHBondContact O-NH2 3.45Å; S96-R159 PolarHBondContact OG-NH1 3.24Å; S96-R159 VanDerWaalsContact OG-NH1 3.16Å; S96-R159 PolarHBondContact OG-NH2 3.21Å; N97-R159 PolarHBondContact OD1-NH2 3.49Å; M155-R159 WeakPolarHBondContact O-CB 3.34Å; M155-R159 WeakPolarHBondContact O-CG 3.35Å; M155-R159 PolarHBondContact O-N 3.41Å; M155-R159 VanDerWaalsContact O-N 3.13Å; A156-R159 PolarHBondContact O-N 3.43Å; F157-R159 VanDerWaalsContact C-N 3.26Å; F157-R159 PolarHBondContact O-N 3.09Å; R159-H162 PolarHBondContact O-N 2.87Å; R159-I163 WeakPolarHBondContact O-CB 3.3Å; R159-I163 WeakPolarHBondContact O-CG1 3.37Å; R159-I163 PolarHBondContact O-N 3.39Å; R159-L296 HydrophobicContact CB-CD2 4.49Å; R159-L486 HydrophobicContact CB-CD1 3.68Å; R159-L486 HydrophobicContact CG-CD1 3.45Å; R159-L486 VanDerWaalsContact CG-CD1 3.45Å
160	F	86.4	Confident	85.7	Confident	35 Å²	35	46.6 Å²	46.6	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-48.1	171.1	176.2	-98.1	0	0	0	112.3	A156 F157 I163 K164 I292 H295 L296 L299	A156-F160 WeakPolarHBondContact O-CB 3.24Å; A156-F160 PolarHBondContact O-N 2.93Å; F157-F160 WeakPolarHBondContact O-CB 3.43Å; F157-F160 PolarHBondContact O-N 3.35Å; F160-I163 PolarHBondContact O-N 3.31Å; F160-K164 HydrophobicContact CE1-CD 3.83Å; F160-K164 HydrophobicContact CE2-CD 4.49Å; F160-K164 HydrophobicContact CZ-CD 3.72Å; F160-K164 WeakPolarHBondContact O-CB 3.48Å; F160-K164 PolarHBondContact O-N 3.34Å; F160-I292 HydrophobicContact CB-CG2 4.38Å; F160-H295 HydrophobicContact CD2-CB 4.41Å; F160-H295 HydrophobicContact CE2-CB 3.86Å; F160-L296 HydrophobicContact CB-CD1 4.26Å; F160-L299 HydrophobicContact CD2-CD1 3.87Å; F160-L299 HydrophobicContact CE2-CD1 3.33Å; F160-L299 HydrophobicContact CZ-CD1 4.16Å
161	I	85.9	Confident	84.8	Confident	36 Å²	36	54.8 Å²	54.8	19%	0.185	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-44	177.7	-61	174.6	0	0	0	110.9	F157 D158 I163 K164 V165 Y169 F173	F157-I161 HydrophobicContact CD1-CD1 3.84Å; F157-I161 HydrophobicContact CE1-CD1 3.32Å; F157-I161 HydrophobicContact CE1-CG1 4.28Å; F157-I161 HydrophobicContact CE2-CD1 4.28Å; F157-I161 HydrophobicContact CE2-CG1 4.49Å; F157-I161 HydrophobicContact CZ-CD1 3.58Å; F157-I161 HydrophobicContact CZ-CG1 4.25Å; F157-I161 WeakPolarHBondContact O-CG1 3.24Å; F157-I161 PolarHBondContact O-N 3.27Å; D158-I161 PolarHBondContact O-N 3.38Å; I161-I163 VanDerWaalsContact C-N 3.27Å; I161-I163 PolarHBondContact O-N 3.09Å; I161-K164 PolarHBondContact O-N 3.28Å; I161-V165 PolarHBondContact O-N 3.35Å; I161-Y169 HydrophobicContact CB-CD2 4.17Å; I161-Y169 HydrophobicContact CG2-CD2 3.78Å; I161-F173 HydrophobicContact CD1-CE2 4.11Å; I161-F173 HydrophobicContact CD1-CZ 4.14Å
162	H	82.9	Confident	83.8	Confident	66 Å²	66	57.5 Å²	57.5	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-57.8	-40.3	179.5	-179	-75.3	0	0	0	112.1	D158 R159 Y169	D158-H162 WeakPolarHBondContact O-CB 3.33Å; D158-H162 PolarHBondContact O-N 2.94Å; R159-H162 PolarHBondContact O-N 2.87Å; H162-Y169 HydrophobicContact CB-CD1 4.37Å; H162-Y169 HydrophobicContact CB-CD2 4.01Å; H162-Y169 HydrophobicContact CB-CE1 4.41Å; H162-Y169 HydrophobicContact CB-CE2 4.01Å; H162-Y169 HydrophobicContact CB-CG 4.18Å; H162-Y169 AromaticContact CD2-CD1 3.58Å; H162-Y169 AromaticContact CD2-CE1 3.51Å
163	I	79.9	Confident	83	Confident	32 Å²	32	60.3 Å²	60.3	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-78.4	-42.8	179.1	-69.7	168.9	0	0	0	111.3	R159 F160 I161 L296 T300 A479	R159-I163 WeakPolarHBondContact O-CB 3.3Å; R159-I163 WeakPolarHBondContact O-CG1 3.37Å; R159-I163 PolarHBondContact O-N 3.39Å; F160-I163 PolarHBondContact O-N 3.31Å; I161-I163 VanDerWaalsContact C-N 3.27Å; I161-I163 PolarHBondContact O-N 3.09Å; I163-L296 HydrophobicContact CD1-CD1 3.73Å; I163-T300 HydrophobicContact CD1-CG2 4.1Å; I163-T300 HydrophobicContact CG2-CG2 4.35Å; I163-A479 HydrophobicContact CD1-CB 4.19Å; I163-A479 HydrophobicContact CG1-CB 4.33Å
164	K	82.5	Confident	82.5	Confident	128 Å²	128	64.8 Å²	64.8	56%	0.557	31%	0.314	S	S	*	.	H	α-helix	trans	-68.4	-39.7	-176.1	-172.6	176.6	178.8	176.9	0	113	F160 I161	F160-K164 HydrophobicContact CE1-CD 3.83Å; F160-K164 HydrophobicContact CE2-CD 4.49Å; F160-K164 HydrophobicContact CZ-CD 3.72Å; F160-K164 WeakPolarHBondContact O-CB 3.48Å; F160-K164 PolarHBondContact O-N 3.34Å; I161-K164 PolarHBondContact O-N 3.28Å
165	V	81.5	Confident	82.1	Confident	62 Å²	62	67.9 Å²	67.9	38%	0.376	33%	0.332	S	S	.	.			trans	-141	72.5	-174.9	-159.8	0	0	0	0	111.8	I161 L167 K168 Y169	I161-V165 PolarHBondContact O-N 3.35Å; V165-L167 VanDerWaalsContact C-N 3.33Å; V165-L167 PolarHBondContact O-N 2.97Å; V165-K168 HydrophobicContact CB-CB 4.18Å; V165-K168 HydrophobicContact CG1-CB 3.41Å; V165-K168 VanDerWaalsContact CG1-CB 3.41Å; V165-K168 HydrophobicContact CG1-CD 4.48Å; V165-K168 PolarHBondContact O-N 3.41Å; V165-Y169 WeakPolarHBondContact O-CB 3.33Å; V165-Y169 PolarHBondContact O-N 3.49Å
166	P	77.7	Confident	82	Confident	68 Å²	68	72.7 Å²	72.7	44%	0.442	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-36.5	-170.3	22.7	-34.1	0	0	0	114.1	S170	P166-S170 PolarHBondContact O-N 2.92Å; P166-S170 PolarHBondContact O-OG 3.5Å
167	L	77.2	Confident	82	Confident	104 Å²	104	77.7 Å²	77.7	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-70.7	-42.3	-179.4	-63.6	177.1	0	0	0	112.1	V165 R171 P437	V165-L167 VanDerWaalsContact C-N 3.33Å; V165-L167 PolarHBondContact O-N 2.97Å; L167-R171 PolarHBondContact O-N 2.91Å; L167-P437 HydrophobicContact CD2-CG 4.25Å
168	K	78.9	Confident	81.9	Confident	138 Å²	138	73.3 Å²	73.3	60%	0.6	35%	0.354	S	S	*	.	H	α-helix	trans	-71.1	-39	177.9	-167.3	175.4	-179.2	177.2	0	110.9	V165 S170 R171 C172	V165-K168 HydrophobicContact CB-CB 4.18Å; V165-K168 HydrophobicContact CG1-CB 3.41Å; V165-K168 VanDerWaalsContact CG1-CB 3.41Å; V165-K168 HydrophobicContact CG1-CD 4.48Å; V165-K168 PolarHBondContact O-N 3.41Å; K168-S170 PolarHBondContact O-N 2.92Å; K168-R171 PolarHBondContact O-N 2.96Å; K168-C172 HydrophobicContact CG-CB 4.36Å; K168-C172 VanDerWaalsContact CG-SG 3.59Å; K168-C172 VanDerWaalsContact O-CB 3.23Å; K168-C172 WeakPolarHBondContact O-CB 3.28Å; K168-C172 PolarHBondContact O-N 2.7Å
169	Y	79.7	Confident	82	Confident	13 Å²	13	78.3 Å²	78.3	5%	0.051	38%	0.38	C	S	.	.	H	α-helix	trans	-55.2	-51	176	-176.4	-87.2	0	0	0	111.1	D158 I161 H162 V165 R171 F173	D158-Y169 VanDerWaalsContact OD1-CE2 3.26Å; D158-Y169 WeakPolarHBondContact OD1-CE2 3.3Å; D158-Y169 VanDerWaalsContact OD1-CZ 3.32Å; D158-Y169 PolarHBondContact OD1-OH 3.4Å; D158-Y169 PolarHBondContact OD2-OH 3.45Å; I161-Y169 HydrophobicContact CB-CD2 4.17Å; I161-Y169 HydrophobicContact CG2-CD2 3.78Å; H162-Y169 HydrophobicContact CB-CD1 4.37Å; H162-Y169 HydrophobicContact CB-CD2 4.01Å; H162-Y169 HydrophobicContact CB-CE1 4.41Å; H162-Y169 HydrophobicContact CB-CE2 4.01Å; H162-Y169 HydrophobicContact CB-CG 4.18Å; H162-Y169 AromaticContact CD2-CD1 3.58Å; H162-Y169 AromaticContact CD2-CE1 3.51Å; V165-Y169 WeakPolarHBondContact O-CB 3.33Å; V165-Y169 PolarHBondContact O-N 3.49Å; Y169-R171 VanDerWaalsContact C-N 3.32Å; Y169-R171 PolarHBondContact O-N 2.99Å; Y169-F173 HydrophobicContact CD2-CB 4.29Å; Y169-F173 HydrophobicContact CD2-CD2 4.32Å; Y169-F173 HydrophobicContact CD2-CG 4.29Å; Y169-F173 HydrophobicContact CE2-CB 4.24Å; Y169-F173 HydrophobicContact CE2-CD1 4.46Å; Y169-F173 HydrophobicContact CE2-CG 4.18Å; Y169-F173 WeakPolarHBondContact O-CB 3.49Å; Y169-F173 PolarHBondContact O-N 2.89Å
170	S	74.7	Confident	82.3	Confident	70 Å²	70	81 Å²	81	49%	0.49	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-35.6	-178.1	-60.3	0	0	0	0	113.8	R95 P166 K168	R95-S170 PolarHBondContact NH1-O 3.26Å; P166-S170 PolarHBondContact O-N 2.92Å; P166-S170 PolarHBondContact O-OG 3.5Å; K168-S170 PolarHBondContact O-N 2.92Å
171	R	76	Confident	82.6	Confident	202 Å²	202	81.6 Å²	81.6	76%	0.762	40%	0.403	S	S	*	.	H	α-helix	trans	-82.8	-39.4	-178.4	-174.8	174.5	172.6	172	-3	113.3	L167 K168 Y169	L167-R171 PolarHBondContact O-N 2.91Å; K168-R171 PolarHBondContact O-N 2.96Å; Y169-R171 VanDerWaalsContact C-N 3.32Å; Y169-R171 PolarHBondContact O-N 2.99Å
172	C	73.1	Confident	83.1	Confident	58 Å²	58	81 Å²	81	39%	0.392	40%	0.4	S	S	.	.	H	α-helix	trans	-94.3	-39.2	-171.8	-64.2	0	0	0	0	113	K168 K174	K168-C172 HydrophobicContact CG-CB 4.36Å; K168-C172 VanDerWaalsContact CG-SG 3.59Å; K168-C172 VanDerWaalsContact O-CB 3.23Å; K168-C172 WeakPolarHBondContact O-CB 3.28Å; K168-C172 PolarHBondContact O-N 2.7Å; C172-K174 VanDerWaalsContact C-N 3.31Å; C172-K174 PolarHBondContact O-N 2.81Å
173	F	75.8	Confident	83.7	Confident	59 Å²	59	82.7 Å²	82.7	26%	0.259	41%	0.41	S	S	.	.			trans	-82.1	79.2	-177.9	-97.7	-99.5	0	0	0	111.1	R95 I161 Y169	R95-F173 PolarHBondContact NH1-O 3.45Å; I161-F173 HydrophobicContact CD1-CE2 4.11Å; I161-F173 HydrophobicContact CD1-CZ 4.14Å; Y169-F173 HydrophobicContact CD2-CB 4.29Å; Y169-F173 HydrophobicContact CD2-CD2 4.32Å; Y169-F173 HydrophobicContact CD2-CG 4.29Å; Y169-F173 HydrophobicContact CE2-CB 4.24Å; Y169-F173 HydrophobicContact CE2-CD1 4.46Å; Y169-F173 HydrophobicContact CE2-CG 4.18Å; Y169-F173 WeakPolarHBondContact O-CB 3.49Å; Y169-F173 PolarHBondContact O-N 2.89Å
174	K	82.6	Confident	84.5	Confident	114 Å²	114	83.4 Å²	83.4	50%	0.496	42%	0.418	S	S	.	.			trans	-71.8	151.3	169	-65.7	-175.6	178.3	-176.2	0	110.5	C172 K176 Y177	C172-K174 VanDerWaalsContact C-N 3.31Å; C172-K174 PolarHBondContact O-N 2.81Å; K174-K176 HydrophobicContact CB-CG 3.97Å; K174-K176 PolarHBondContact O-N 2.95Å; K174-K176 VanDerWaalsContact O-N 3.1Å; K174-Y177 HydrophobicContact CB-CD2 3.93Å; K174-Y177 HydrophobicContact CB-CE2 4.1Å; K174-Y177 PolarHBondContact O-N 2.98Å
175	P	84.1	Confident	85.1	Confident	79 Å²	79	78.3 Å²	78.3	51%	0.513	40%	0.397	S	S	.	.	H	α-helix	trans	-57.4	-27.2	-179.5	22.8	-34.7	0	0	0	114.1	Y177 L178 L179	P175-Y177 VanDerWaalsContact C-N 3.3Å; P175-Y177 PolarHBondContact O-N 3.39Å; P175-L178 VanDerWaalsContact O-CB 3.31Å; P175-L178 WeakPolarHBondContact O-CB 3.4Å; P175-L178 PolarHBondContact O-N 3.44Å; P175-L179 PolarHBondContact O-N 3.35Å; P175-L179 VanDerWaalsContact O-N 3.13Å
176	K	88.6	Confident	85.8	Confident	112 Å²	112	79.1 Å²	79.1	49%	0.487	39%	0.393	S	S	.	.	H	α-helix	trans	-57.7	-38.9	174.4	64.1	176.4	-172	166.7	0	113.6	K174 L178 L179 I180	K174-K176 HydrophobicContact CB-CG 3.97Å; K174-K176 PolarHBondContact O-N 2.95Å; K174-K176 VanDerWaalsContact O-N 3.1Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 2.95Å; K176-L179 PolarHBondContact O-N 3.37Å; K176-I180 VanDerWaalsContact O-CG1 3.28Å; K176-I180 WeakPolarHBondContact O-CG1 3.08Å; K176-I180 PolarHBondContact O-N 3.46Å
177	Y	88.5	Confident	86.7	Confident	106 Å²	106	81.9 Å²	81.9	42%	0.416	40%	0.398	S	S	.	.	H	α-helix	trans	-70.4	-33.1	180	-64.4	-71	0	0	0	111.2	K174 P175 I180 T181	K174-Y177 HydrophobicContact CB-CD2 3.93Å; K174-Y177 HydrophobicContact CB-CE2 4.1Å; K174-Y177 PolarHBondContact O-N 2.98Å; P175-Y177 VanDerWaalsContact C-N 3.3Å; P175-Y177 PolarHBondContact O-N 3.39Å; Y177-I180 PolarHBondContact O-N 3.13Å; Y177-T181 WeakPolarHBondContact O-CG2 3.39Å; Y177-T181 PolarHBondContact O-N 2.88Å; Y177-T181 PolarHBondContact O-OG1 3.47Å
178	L	88.5	Confident	87.5	Confident	11 Å²	11	80.6 Å²	80.6	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-64.9	-44.5	175.6	-173.4	67.1	0	0	0	111.9	I98 F99 P175 K176 T181 I182	I98-L178 HydrophobicContact CB-CD2 3.59Å; I98-L178 HydrophobicContact CD1-CD2 3.43Å; I98-L178 VanDerWaalsContact CD1-CD2 3.43Å; I98-L178 HydrophobicContact CG1-CD2 4.05Å; I98-L178 HydrophobicContact CG2-CD2 3.58Å; I98-L178 HydrophobicContact CG2-CG 4.21Å; F99-L178 HydrophobicContact CD1-CD1 4.18Å; F99-L178 HydrophobicContact CD2-CD1 3.58Å; F99-L178 HydrophobicContact CE1-CD1 3.76Å; F99-L178 HydrophobicContact CE2-CD1 3.1Å; F99-L178 HydrophobicContact CG-CD1 4.1Å; F99-L178 HydrophobicContact CZ-CD1 3.21Å; P175-L178 VanDerWaalsContact O-CB 3.31Å; P175-L178 WeakPolarHBondContact O-CB 3.4Å; P175-L178 PolarHBondContact O-N 3.44Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 2.95Å; L178-T181 VanDerWaalsContact C-OG1 3.32Å; L178-T181 WeakPolarHBondContact CA-OG1 3.44Å; L178-T181 PolarHBondContact O-N 2.5Å; L178-T181 PolarHBondContact O-OG1 2.86Å; L178-I182 HydrophobicContact CG-CD1 4.39Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 3.49Å
179	L	91.3	Very high	88.3	Confident	107 Å²	107	74 Å²	74	56%	0.56	36%	0.363	S	S	*	.	H	α-helix	trans	-61.3	-46.4	174.2	-179.6	62.7	0	0	0	111.4	P175 K176 T181 I182 I183	P175-L179 PolarHBondContact O-N 3.35Å; P175-L179 VanDerWaalsContact O-N 3.13Å; K176-L179 PolarHBondContact O-N 3.37Å; L179-T181 VanDerWaalsContact C-N 3.3Å; L179-T181 PolarHBondContact O-N 2.96Å; L179-I182 PolarHBondContact O-N 3.18Å; L179-I183 HydrophobicContact CD1-CD1 4.01Å; L179-I183 HydrophobicContact CD1-CG1 4.3Å; L179-I183 HydrophobicContact CG-CD1 3.86Å; L179-I183 WeakPolarHBondContact O-CG1 3.22Å; L179-I183 PolarHBondContact O-N 3.42Å
180	I	93.5	Very high	89.1	Confident	102 Å²	102	77.9 Å²	77.9	52%	0.523	38%	0.38	S	S	.	.	H	α-helix	trans	-57.2	-44.8	175.8	-67.7	164.4	0	0	0	110.5	K176 Y177 I183 S184	K176-I180 VanDerWaalsContact O-CG1 3.28Å; K176-I180 WeakPolarHBondContact O-CG1 3.08Å; K176-I180 PolarHBondContact O-N 3.46Å; Y177-I180 PolarHBondContact O-N 3.13Å; I180-I183 PolarHBondContact O-N 3.37Å; I180-S184 WeakPolarHBondContact O-CB 3.49Å; I180-S184 PolarHBondContact O-N 3.44Å; I180-S184 PolarHBondContact O-OG 3.24Å
181	T	92.6	Very high	89.9	Confident	46 Å²	46	77.7 Å²	77.7	28%	0.282	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-47.1	177	51.3	0	0	0	0	111.5	F99 Y177 L178 L179 I183 S184 L185	F99-T181 WeakPolarHBondContact CZ-OG1 3.38Å; Y177-T181 WeakPolarHBondContact O-CG2 3.39Å; Y177-T181 PolarHBondContact O-N 2.88Å; Y177-T181 PolarHBondContact O-OG1 3.47Å; L178-T181 VanDerWaalsContact C-OG1 3.32Å; L178-T181 WeakPolarHBondContact CA-OG1 3.44Å; L178-T181 PolarHBondContact O-N 2.5Å; L178-T181 PolarHBondContact O-OG1 2.86Å; L179-T181 VanDerWaalsContact C-N 3.3Å; L179-T181 PolarHBondContact O-N 2.96Å; T181-I183 PolarHBondContact O-N 2.9Å; T181-S184 WeakPolarHBondContact CA-OG 3.27Å; T181-S184 PolarHBondContact O-N 3.47Å; T181-S184 PolarHBondContact O-OG 3.42Å; T181-L185 VanDerWaalsContact O-CG 3.25Å; T181-L185 WeakPolarHBondContact O-CG 3.5Å; T181-L185 PolarHBondContact O-N 2.85Å
182	I	95.1	Very high	90.6	Very high	23 Å²	23	70.6 Å²	70.6	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-47.2	179.5	-68.3	167.6	0	0	0	111	I98 F99 L178 L179 S184 L185 W186	I98-I182 HydrophobicContact CG2-CD1 4.1Å; F99-I182 HydrophobicContact CD1-CD1 4.39Å; F99-I182 HydrophobicContact CD1-CG1 4.01Å; F99-I182 HydrophobicContact CE1-CG1 3.86Å; L178-I182 HydrophobicContact CG-CD1 4.39Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 3.49Å; L179-I182 PolarHBondContact O-N 3.18Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.84Å; I182-L185 PolarHBondContact O-N 3.37Å; I182-W186 PolarHBondContact O-N 3.25Å; I182-W186 VanDerWaalsContact O-N 3.13Å
183	I	96.2	Very high	91.5	Very high	102 Å²	102	67.8 Å²	67.8	52%	0.523	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-43.3	178	-66.1	168	0	0	0	110.8	L179 I180 T181 L185 W186 F187	L179-I183 HydrophobicContact CD1-CD1 4.01Å; L179-I183 HydrophobicContact CD1-CG1 4.3Å; L179-I183 HydrophobicContact CG-CD1 3.86Å; L179-I183 WeakPolarHBondContact O-CG1 3.22Å; L179-I183 PolarHBondContact O-N 3.42Å; I180-I183 PolarHBondContact O-N 3.37Å; T181-I183 PolarHBondContact O-N 2.9Å; I183-L185 VanDerWaalsContact C-N 3.33Å; I183-L185 PolarHBondContact O-N 2.93Å; I183-W186 PolarHBondContact O-N 3.1Å; I183-F187 WeakPolarHBondContact O-CB 3.43Å; I183-F187 PolarHBondContact O-N 3.26Å
184	S	96	Very high	92.2	Very high	47 Å²	47	66.3 Å²	66.3	33%	0.329	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-37.1	178.2	71.2	0	0	0	0	112.8	I180 T181 I182 F187 I188	I180-S184 WeakPolarHBondContact O-CB 3.49Å; I180-S184 PolarHBondContact O-N 3.44Å; I180-S184 PolarHBondContact O-OG 3.24Å; T181-S184 WeakPolarHBondContact CA-OG 3.27Å; T181-S184 PolarHBondContact O-N 3.47Å; T181-S184 PolarHBondContact O-OG 3.42Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.84Å; S184-F187 PolarHBondContact O-N 3.02Å; S184-I188 WeakPolarHBondContact O-CB 3.37Å; S184-I188 WeakPolarHBondContact O-CD1 3.34Å; S184-I188 VanDerWaalsContact O-CG1 3.22Å; S184-I188 WeakPolarHBondContact O-CG1 3.31Å; S184-I188 PolarHBondContact O-N 2.92Å
185	L	95.7	Very high	92.6	Very high	22 Å²	22	63.8 Å²	63.8	12%	0.115	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-46.1	177.4	-63.4	167.1	0	0	0	110.4	F99 L150 A154 T181 I182 I183 F187 S189	F99-L185 HydrophobicContact CE1-CD1 4.41Å; L150-L185 HydrophobicContact CB-CD2 3.82Å; A154-L185 HydrophobicContact CB-CD1 3.79Å; T181-L185 VanDerWaalsContact O-CG 3.25Å; T181-L185 WeakPolarHBondContact O-CG 3.5Å; T181-L185 PolarHBondContact O-N 2.85Å; I182-L185 PolarHBondContact O-N 3.37Å; I183-L185 VanDerWaalsContact C-N 3.33Å; I183-L185 PolarHBondContact O-N 2.93Å; L185-F187 PolarHBondContact O-N 3.21Å; L185-S189 WeakPolarHBondContact O-CB 3.38Å; L185-S189 PolarHBondContact O-N 2.93Å; L185-S189 PolarHBondContact O-OG 3.04Å
186	W	96.6	Very high	92.7	Very high	79 Å²	79	61 Å²	61	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-45.5	174.7	-84.6	96.1	0	0	0	112.5	I106 L143 F144 V147 I182 I183 S189 F190	I106-W186 HydrophobicContact CD1-CZ2 4.28Å; I106-W186 HydrophobicContact CG1-CH2 4.32Å; I106-W186 HydrophobicContact CG1-CZ2 3.57Å; L143-W186 HydrophobicContact CD2-CZ3 4.2Å; F144-W186 HydrophobicContact CD1-CH2 4.39Å; F144-W186 AromaticContact CE1-CH2 3.87Å; F144-W186 HydrophobicContact CE1-CH2 3.87Å; F144-W186 HydrophobicContact CE1-CZ3 4.25Å; V147-W186 HydrophobicContact CG1-CD2 4.18Å; V147-W186 HydrophobicContact CG1-CZ2 4.33Å; V147-W186 HydrophobicContact CG2-CD2 4.14Å; V147-W186 HydrophobicContact CG2-CE3 3.92Å; V147-W186 HydrophobicContact CG2-CZ3 4.32Å; I182-W186 PolarHBondContact O-N 3.25Å; I182-W186 VanDerWaalsContact O-N 3.13Å; I183-W186 PolarHBondContact O-N 3.1Å; W186-S189 PolarHBondContact O-N 3.48Å; W186-F190 WeakPolarHBondContact O-CB 3.3Å; W186-F190 PolarHBondContact O-N 2.82Å
187	F	96.5	Very high	92.5	Very high	125 Å²	125	56.1 Å²	56.1	55%	0.548	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-48.3	-179.7	-178.4	-105.6	0	0	0	112.1	I183 S184 L185 S189 F190 L191	I183-F187 WeakPolarHBondContact O-CB 3.43Å; I183-F187 PolarHBondContact O-N 3.26Å; S184-F187 PolarHBondContact O-N 3.02Å; L185-F187 PolarHBondContact O-N 3.21Å; F187-S189 VanDerWaalsContact C-N 3.35Å; F187-S189 PolarHBondContact O-N 2.97Å; F187-F190 WeakPolarHBondContact O-CB 3.42Å; F187-F190 PolarHBondContact O-N 3.49Å; F187-L191 HydrophobicContact CD1-CD1 4.06Å; F187-L191 HydrophobicContact CE1-CD1 3.52Å; F187-L191 HydrophobicContact CE1-CG 4.31Å; F187-L191 HydrophobicContact CZ-CD1 3.8Å; F187-L191 HydrophobicContact CZ-CD2 4.3Å; F187-L191 HydrophobicContact CZ-CG 4.27Å; F187-L191 WeakPolarHBondContact O-CG 3.09Å; F187-L191 PolarHBondContact O-N 3.35Å; F187-L191 VanDerWaalsContact O-N 3.08Å
188	I	94.4	Very high	92.3	Very high	77 Å²	77	54.6 Å²	54.6	40%	0.395	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-46	178	-68.8	164.9	0	0	0	110.4	L150 S184 F190 L191 I192	L150-I188 HydrophobicContact CD1-CG2 4.13Å; S184-I188 WeakPolarHBondContact O-CB 3.37Å; S184-I188 WeakPolarHBondContact O-CD1 3.34Å; S184-I188 VanDerWaalsContact O-CG1 3.22Å; S184-I188 WeakPolarHBondContact O-CG1 3.31Å; S184-I188 PolarHBondContact O-N 2.92Å; I188-F190 VanDerWaalsContact C-N 3.33Å; I188-F190 PolarHBondContact O-N 2.89Å; I188-L191 PolarHBondContact O-N 3.38Å; I188-I192 HydrophobicContact CG2-CD1 3.75Å; I188-I192 HydrophobicContact CG2-CG1 4.5Å; I188-I192 WeakPolarHBondContact O-CG1 3.29Å; I188-I192 PolarHBondContact O-N 3.46Å
189	S	95.2	Very high	92.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-39.1	177.4	-66.6	0	0	0	0	112.9	T146 V147 L150 L185 W186 F187 I192 A193	T146-S189 PolarHBondContact O-OG 3.2Å; T146-S189 WeakPolarHBondContact OG1-CB 3.39Å; V147-S189 WeakPolarHBondContact CA-OG 3.23Å; V147-S189 WeakPolarHBondContact CG2-OG 3.24Å; V147-S189 PolarHBondContact N-OG 3.46Å; L150-S189 WeakPolarHBondContact CD1-OG 3.43Å; L185-S189 WeakPolarHBondContact O-CB 3.38Å; L185-S189 PolarHBondContact O-N 2.93Å; L185-S189 PolarHBondContact O-OG 3.04Å; W186-S189 PolarHBondContact O-N 3.48Å; F187-S189 VanDerWaalsContact C-N 3.35Å; F187-S189 PolarHBondContact O-N 2.97Å; S189-I192 PolarHBondContact O-N 2.92Å; S189-A193 VanDerWaalsContact O-CB 3.24Å; S189-A193 WeakPolarHBondContact O-CB 3.42Å; S189-A193 PolarHBondContact O-N 3.07Å
190	F	95.3	Very high	91.4	Very high	95 Å²	95	58.2 Å²	58.2	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-46.3	175.2	178.3	-91.7	0	0	0	111.7	L143 W186 F187 I188 I192 A193 F194	L143-F190 HydrophobicContact CD1-CB 4.15Å; W186-F190 WeakPolarHBondContact O-CB 3.3Å; W186-F190 PolarHBondContact O-N 2.82Å; F187-F190 WeakPolarHBondContact O-CB 3.42Å; F187-F190 PolarHBondContact O-N 3.49Å; I188-F190 VanDerWaalsContact C-N 3.33Å; I188-F190 PolarHBondContact O-N 2.89Å; F190-I192 PolarHBondContact O-N 2.82Å; F190-A193 PolarHBondContact O-N 3.12Å; F190-F194 HydrophobicContact CD2-CB 4.45Å; F190-F194 AromaticContact CD2-CD2 3.49Å; F190-F194 HydrophobicContact CD2-CD2 3.49Å; F190-F194 VanDerWaalsContact CD2-CD2 3.49Å; F190-F194 AromaticContact CD2-CE2 3.83Å; F190-F194 HydrophobicContact CD2-CE2 3.83Å; F190-F194 AromaticContact CD2-CG 3.92Å; F190-F194 HydrophobicContact CD2-CG 3.92Å; F190-F194 HydrophobicContact CD2-CZ 4.47Å; F190-F194 HydrophobicContact CE1-CB 4.35Å; F190-F194 HydrophobicContact CE2-CB 4.13Å; F190-F194 AromaticContact CE2-CD1 3.78Å; F190-F194 HydrophobicContact CE2-CD1 3.78Å; F190-F194 AromaticContact CE2-CD2 3.54Å; F190-F194 HydrophobicContact CE2-CD2 3.54Å; F190-F194 HydrophobicContact CE2-CE1 4.04Å; F190-F194 AromaticContact CE2-CE2 3.83Å; F190-F194 HydrophobicContact CE2-CE2 3.83Å; F190-F194 AromaticContact CE2-CG 3.52Å; F190-F194 HydrophobicContact CE2-CG 3.52Å; F190-F194 HydrophobicContact CE2-CZ 4.07Å; F190-F194 HydrophobicContact CG-CD2 4.26Å; F190-F194 HydrophobicContact CZ-CB 4.07Å; F190-F194 HydrophobicContact CZ-CD1 4.09Å; F190-F194 HydrophobicContact CZ-CD2 4.33Å; F190-F194 AromaticContact CZ-CG 3.9Å; F190-F194 HydrophobicContact CZ-CG 3.9Å; F190-F194 WeakPolarHBondContact O-CB 3.38Å; F190-F194 PolarHBondContact O-N 3.46Å
191	L	93.1	Very high	90.7	Very high	65 Å²	65	61.1 Å²	61.1	34%	0.34	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-45.2	177.6	-63.5	176.4	0	0	0	111.8	F187 I188 A193 I195	F187-L191 HydrophobicContact CD1-CD1 4.06Å; F187-L191 HydrophobicContact CE1-CD1 3.52Å; F187-L191 HydrophobicContact CE1-CG 4.31Å; F187-L191 HydrophobicContact CZ-CD1 3.8Å; F187-L191 HydrophobicContact CZ-CD2 4.3Å; F187-L191 HydrophobicContact CZ-CG 4.27Å; F187-L191 WeakPolarHBondContact O-CG 3.09Å; F187-L191 PolarHBondContact O-N 3.35Å; F187-L191 VanDerWaalsContact O-N 3.08Å; I188-L191 PolarHBondContact O-N 3.38Å; L191-A193 VanDerWaalsContact C-N 3.34Å; L191-A193 PolarHBondContact O-N 3.27Å; L191-I195 HydrophobicContact CB-CD1 4.03Å; L191-I195 HydrophobicContact CD2-CD1 3.78Å; L191-I195 HydrophobicContact CG-CD1 4.49Å; L191-I195 WeakPolarHBondContact O-CB 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.31Å; L191-I195 PolarHBondContact O-N 3.42Å
192	I	90.6	Very high	89.7	Confident	53 Å²	53	59.3 Å²	59.3	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-40	179.6	-66.5	168.9	0	0	0	111.3	T146 I188 S189 F190 P196 S281	T146-I192 HydrophobicContact CG2-CG2 4.22Å; I188-I192 HydrophobicContact CG2-CD1 3.75Å; I188-I192 HydrophobicContact CG2-CG1 4.5Å; I188-I192 WeakPolarHBondContact O-CG1 3.29Å; I188-I192 PolarHBondContact O-N 3.46Å; S189-I192 PolarHBondContact O-N 2.92Å; F190-I192 PolarHBondContact O-N 2.82Å; I192-P196 VanDerWaalsContact O-CD 3.24Å; I192-P196 WeakPolarHBondContact O-CD 3.41Å; I192-P196 WeakPolarHBondContact O-CG 3.49Å; I192-S281 WeakPolarHBondContact CG2-OG 3.46Å
193	A	90.7	Very high	88.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-83.8	-46.3	-174.4	0	0	0	0	0	113.6	Q142 L143 S189 F190 L191 I197	Q142-A193 HydrophobicContact CB-CB 3.92Å; Q142-A193 HydrophobicContact CG-CB 3.85Å; L143-A193 HydrophobicContact CB-CB 3.87Å; S189-A193 VanDerWaalsContact O-CB 3.24Å; S189-A193 WeakPolarHBondContact O-CB 3.42Å; S189-A193 PolarHBondContact O-N 3.07Å; F190-A193 PolarHBondContact O-N 3.12Å; L191-A193 VanDerWaalsContact C-N 3.34Å; L191-A193 PolarHBondContact O-N 3.27Å; A193-I197 WeakPolarHBondContact O-CD1 3.45Å
194	F	92.1	Very high	86.7	Confident	28 Å²	28	57 Å²	57	12%	0.123	27%	0.268	C	S	.	.	H	α-helix	trans	-83.3	-39.7	-171	-85.4	-107	0	0	0	113.2	L136 L140 L143 F190 I197 Q198	L136-F194 HydrophobicContact CD1-CE1 3.96Å; L136-F194 HydrophobicContact CD1-CZ 4.2Å; L140-F194 HydrophobicContact CD2-CE2 4.3Å; L140-F194 HydrophobicContact CD2-CZ 3.91Å; L140-F194 HydrophobicContact CG-CZ 4.27Å; L143-F194 HydrophobicContact CB-CE2 4.15Å; L143-F194 HydrophobicContact CD2-CE2 3.96Å; F190-F194 HydrophobicContact CD2-CB 4.45Å; F190-F194 AromaticContact CD2-CD2 3.49Å; F190-F194 HydrophobicContact CD2-CD2 3.49Å; F190-F194 VanDerWaalsContact CD2-CD2 3.49Å; F190-F194 AromaticContact CD2-CE2 3.83Å; F190-F194 HydrophobicContact CD2-CE2 3.83Å; F190-F194 AromaticContact CD2-CG 3.92Å; F190-F194 HydrophobicContact CD2-CG 3.92Å; F190-F194 HydrophobicContact CD2-CZ 4.47Å; F190-F194 HydrophobicContact CE1-CB 4.35Å; F190-F194 HydrophobicContact CE2-CB 4.13Å; F190-F194 AromaticContact CE2-CD1 3.78Å; F190-F194 HydrophobicContact CE2-CD1 3.78Å; F190-F194 AromaticContact CE2-CD2 3.54Å; F190-F194 HydrophobicContact CE2-CD2 3.54Å; F190-F194 HydrophobicContact CE2-CE1 4.04Å; F190-F194 AromaticContact CE2-CE2 3.83Å; F190-F194 HydrophobicContact CE2-CE2 3.83Å; F190-F194 AromaticContact CE2-CG 3.52Å; F190-F194 HydrophobicContact CE2-CG 3.52Å; F190-F194 HydrophobicContact CE2-CZ 4.07Å; F190-F194 HydrophobicContact CG-CD2 4.26Å; F190-F194 HydrophobicContact CZ-CB 4.07Å; F190-F194 HydrophobicContact CZ-CD1 4.09Å; F190-F194 HydrophobicContact CZ-CD2 4.33Å; F190-F194 AromaticContact CZ-CG 3.9Å; F190-F194 HydrophobicContact CZ-CG 3.9Å; F190-F194 WeakPolarHBondContact O-CB 3.38Å; F190-F194 PolarHBondContact O-N 3.46Å; F194-I197 PolarHBondContact O-N 3.32Å; F194-Q198 HydrophobicContact CB-CG 4.44Å; F194-Q198 HydrophobicContact CD1-CG 4.01Å; F194-Q198 VanDerWaalsContact O-CB 3.27Å; F194-Q198 WeakPolarHBondContact O-CB 3.44Å; F194-Q198 VanDerWaalsContact O-CG 3.25Å; F194-Q198 WeakPolarHBondContact O-CG 3.37Å; F194-Q198 PolarHBondContact O-N 3.27Å
195	I	90.4	Very high	84.6	Confident	60 Å²	60	63.2 Å²	63.2	31%	0.308	29%	0.292	S	S	.	.	H	α-helix	trans	-59.1	-55.2	-173.4	-65.2	173.5	0	0	0	111	L191 I197 F199 W201	L191-I195 HydrophobicContact CB-CD1 4.03Å; L191-I195 HydrophobicContact CD2-CD1 3.78Å; L191-I195 HydrophobicContact CG-CD1 4.49Å; L191-I195 WeakPolarHBondContact O-CB 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.31Å; L191-I195 PolarHBondContact O-N 3.42Å; I195-I197 VanDerWaalsContact C-N 3.3Å; I195-I197 PolarHBondContact O-N 2.96Å; I195-F199 HydrophobicContact CG2-CD2 4.01Å; I195-F199 HydrophobicContact CG2-CE2 4.46Å; I195-F199 WeakPolarHBondContact O-CB 3.3Å; I195-F199 VanDerWaalsContact O-CD2 3.3Å; I195-F199 WeakPolarHBondContact O-CD2 3.4Å; I195-F199 PolarHBondContact O-N 3Å; I195-F199 VanDerWaalsContact O-N 3.13Å; I195-W201 HydrophobicContact CG2-CH2 3.89Å; I195-W201 HydrophobicContact CG2-CZ2 4.26Å; I195-W201 HydrophobicContact CG2-CZ3 4.1Å
196	P	86.3	Confident	82.2	Confident	22 Å²	22	66 Å²	66	14%	0.143	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-34.5	-174.3	-23.3	36.6	0	0	0	113.5	I192 N200 W201 Y273	I192-P196 VanDerWaalsContact O-CD 3.24Å; I192-P196 WeakPolarHBondContact O-CD 3.41Å; I192-P196 WeakPolarHBondContact O-CG 3.49Å; P196-N200 PolarHBondContact O-N 3.04Å; P196-W201 HydrophobicContact CB-CB 4.33Å; P196-W201 HydrophobicContact CB-CE3 4.07Å; P196-W201 HydrophobicContact CG-CE3 4.26Å; P196-W201 WeakPolarHBondContact O-CB 3.09Å; P196-W201 PolarHBondContact O-N 3.01Å; P196-Y273 HydrophobicContact CB-CD2 4.09Å; P196-Y273 HydrophobicContact CB-CE2 3.41Å; P196-Y273 VanDerWaalsContact CB-CE2 3.41Å; P196-Y273 HydrophobicContact CG-CE2 4.32Å
197	I	83.4	Confident	79.6	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-79.7	-45.3	-174.8	-63.5	174.9	0	0	0	111	W22 S139 Q142 A193 F194 I195 N200 Y273	W22-I197 HydrophobicContact CH2-CG2 3.89Å; W22-I197 HydrophobicContact CZ3-CG2 4.26Å; S139-I197 VanDerWaalsContact OG-CG2 3.27Å; S139-I197 WeakPolarHBondContact OG-CG2 3.27Å; Q142-I197 HydrophobicContact CB-CD1 4.28Å; A193-I197 WeakPolarHBondContact O-CD1 3.45Å; F194-I197 PolarHBondContact O-N 3.32Å; I195-I197 VanDerWaalsContact C-N 3.3Å; I195-I197 PolarHBondContact O-N 2.96Å; I197-N200 PolarHBondContact O-N 3.25Å; I197-Y273 WeakPolarHBondContact CG1-OH 3.46Å
198	Q	84.7	Confident	76.9	Confident	74 Å²	74	62.4 Å²	62.4	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-72.1	-32.4	-177.8	-62.9	-61.9	-28.6	0	0	112.2	S139 F194 N200	S139-Q198 PolarHBondContact OG-NE2 2.81Å; F194-Q198 HydrophobicContact CB-CG 4.44Å; F194-Q198 HydrophobicContact CD1-CG 4.01Å; F194-Q198 VanDerWaalsContact O-CB 3.27Å; F194-Q198 WeakPolarHBondContact O-CB 3.44Å; F194-Q198 VanDerWaalsContact O-CG 3.25Å; F194-Q198 WeakPolarHBondContact O-CG 3.37Å; F194-Q198 PolarHBondContact O-N 3.27Å; Q198-N200 VanDerWaalsContact C-N 3.25Å; Q198-N200 PolarHBondContact O-N 3.27Å
199	F	85.4	Confident	74.3	Confident	142 Å²	142	59.7 Å²	59.7	62%	0.623	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	10	173.1	-71.7	-83.6	0	0	0	113.6	I195 W201	I195-F199 HydrophobicContact CG2-CD2 4.01Å; I195-F199 HydrophobicContact CG2-CE2 4.46Å; I195-F199 WeakPolarHBondContact O-CB 3.3Å; I195-F199 VanDerWaalsContact O-CD2 3.3Å; I195-F199 WeakPolarHBondContact O-CD2 3.4Å; I195-F199 PolarHBondContact O-N 3Å; I195-F199 VanDerWaalsContact O-N 3.13Å; F199-W201 VanDerWaalsContact C-N 3.26Å; F199-W201 PolarHBondContact O-N 2.87Å
200	N	76.8	Confident	71.6	Confident	53 Å²	53	63.6 Å²	63.6	28%	0.283	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.8	176.5	-54.8	-49.3	0	0	0	115.2	K135 P196 I197 Q198 N202 I203	K135-N200 WeakPolarHBondContact CE-OD1 3.06Å; K135-N200 PolarHBondContact NZ-OD1 2.93Å; P196-N200 PolarHBondContact O-N 3.04Å; I197-N200 PolarHBondContact O-N 3.25Å; Q198-N200 VanDerWaalsContact C-N 3.25Å; Q198-N200 PolarHBondContact O-N 3.27Å; N200-N202 PolarHBondContact O-N 3.31Å; N200-N202 VanDerWaalsContact O-N 3.13Å; N200-I203 HydrophobicContact CB-CD1 3.7Å; N200-I203 HydrophobicContact CB-CG1 3.9Å; N200-I203 PolarHBondContact O-N 3.31Å; N200-I203 VanDerWaalsContact O-N 3.12Å
201	W	78.9	Confident	68.8	Low	163 Å²	163	62 Å²	62	62%	0.617	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14	177	-64.4	-2.3	0	0	0	113.1	I195 P196 F199	I195-W201 HydrophobicContact CG2-CH2 3.89Å; I195-W201 HydrophobicContact CG2-CZ2 4.26Å; I195-W201 HydrophobicContact CG2-CZ3 4.1Å; P196-W201 HydrophobicContact CB-CB 4.33Å; P196-W201 HydrophobicContact CB-CE3 4.07Å; P196-W201 HydrophobicContact CG-CE3 4.26Å; P196-W201 WeakPolarHBondContact O-CB 3.09Å; P196-W201 PolarHBondContact O-N 3.01Å; F199-W201 VanDerWaalsContact C-N 3.26Å; F199-W201 PolarHBondContact O-N 2.87Å
202	N	71.1	Confident	66	Low	7 Å²	7	63.3 Å²	63.3	4%	0.037	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.2	177.2	70.9	-58.6	0	0	0	113.8	W22 N200 H267 D270 Y273	W22-N202 WeakPolarHBondContact CH2-ND2 3.49Å; W22-N202 WeakPolarHBondContact CH2-OD1 3.49Å; N200-N202 PolarHBondContact O-N 3.31Å; N200-N202 VanDerWaalsContact O-N 3.13Å; N202-H267 PolarHBondContact ND2-CE1 3.13Å; N202-D270 PolarHBondContact O-N 3.17Å; N202-Y273 HydrophobicContact CB-CD1 3.4Å; N202-Y273 VanDerWaalsContact CB-CD1 3.4Å; N202-Y273 HydrophobicContact CB-CD2 4.09Å; N202-Y273 HydrophobicContact CB-CE1 3.4Å; N202-Y273 VanDerWaalsContact CB-CE1 3.4Å; N202-Y273 HydrophobicContact CB-CE2 4.14Å; N202-Y273 HydrophobicContact CB-CG 3.73Å
203	I	67.3	Low	63.4	Low	42 Å²	42	63.1 Å²	63.1	22%	0.215	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-95.3	132.6	-174.7	-47.4	-169.2	0	0	0	109.9	W22 N200 H267	W22-I203 HydrophobicContact CZ2-CD1 3.84Å; W22-I203 HydrophobicContact CZ2-CG1 4.1Å; N200-I203 HydrophobicContact CB-CD1 3.7Å; N200-I203 HydrophobicContact CB-CG1 3.9Å; N200-I203 PolarHBondContact O-N 3.31Å; N200-I203 VanDerWaalsContact O-N 3.12Å; I203-H267 WeakPolarHBondContact CG1-NE2 3.49Å
204	I	61.3	Low	60.7	Low	35 Å²	35	67.8 Å²	67.8	18%	0.179	33%	0.33	C	S	.	.			trans	-83.5	120.8	167.4	-51.6	173.5	0	0	0	108.8	Y206 K268 D270	I204-Y206 HydrophobicContact CB-CD1 4.46Å; I204-Y206 HydrophobicContact CB-CE1 4.32Å; I204-Y206 HydrophobicContact CG2-CD1 3.19Å; I204-Y206 HydrophobicContact CG2-CE1 3.12Å; I204-Y206 HydrophobicContact CG2-CG 4.16Å; I204-Y206 PolarHBondContact O-N 3.39Å; I204-K268 HydrophobicContact CD1-CB 4.26Å; I204-K268 HydrophobicContact CD1-CG 4.09Å; I204-D270 VanDerWaalsContact CG1-CA 3.45Å; I204-D270 HydrophobicContact CG1-CB 3.68Å
205	H	52	Low	58	Low	178 Å²	178	69.4 Å²	69.4	82%	0.824	34%	0.342	S	S	*	.	S	Bend	trans	-73.7	19.4	-173	-95.8	-75	0	0	0	116.2
206	Y	45	Very low	55.3	Low	81 Å²	81	71.6 Å²	71.6	32%	0.318	36%	0.358	S	S	.	.			trans	-115.3	133.4	174.8	72	-102.5	0	0	0	112	I204 E208 N239	I204-Y206 HydrophobicContact CB-CD1 4.46Å; I204-Y206 HydrophobicContact CB-CE1 4.32Å; I204-Y206 HydrophobicContact CG2-CD1 3.19Å; I204-Y206 HydrophobicContact CG2-CE1 3.12Å; I204-Y206 HydrophobicContact CG2-CG 4.16Å; I204-Y206 PolarHBondContact O-N 3.39Å; Y206-E208 HydrophobicContact CD2-CG 3.9Å; Y206-E208 HydrophobicContact CE2-CG 3.42Å; Y206-E208 VanDerWaalsContact CE2-CG 3.42Å; Y206-E208 VanDerWaalsContact CE2-OE1 3.29Å; Y206-E208 WeakPolarHBondContact CE2-OE1 3.44Å; Y206-E208 PolarHBondContact OH-OE1 3.5Å; Y206-N239 WeakPolarHBondContact CD2-OD1 3.17Å
207	K	40.7	Very low	52.9	Low	54 Å²	54	77.1 Å²	77.1	24%	0.235	39%	0.386	C	S	.	.			trans	-80.5	117.3	172.2	-70	-179.4	-178.8	177.8	0	108.8	L15 N16 Q18 C240	L15-K207 PolarHBondContact O-NZ 3.04Å; N16-K207 PolarHBondContact O-NZ 3.32Å; Q18-K207 VanDerWaalsContact O-CE 3.27Å; Q18-K207 WeakPolarHBondContact O-CE 3.01Å; Q18-K207 PolarHBondContact O-NZ 3.27Å; Q18-K207 VanDerWaalsContact O-NZ 3.08Å; K207-C240 HydrophobicContact CB-CB 4.34Å; K207-C240 WeakPolarHBondContact O-CB 3.25Å; K207-C240 PolarHBondContact O-N 2.92Å; K207-C240 VanDerWaalsContact O-N 3.08Å
208	E	39.8	Very low	50.4	Low	73 Å²	73	82.6 Å²	82.6	34%	0.341	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.9	160.5	-66.1	-177.3	177.3	0	0	107.6	Y206	Y206-E208 HydrophobicContact CD2-CG 3.9Å; Y206-E208 HydrophobicContact CE2-CG 3.42Å; Y206-E208 VanDerWaalsContact CE2-CG 3.42Å; Y206-E208 VanDerWaalsContact CE2-OE1 3.29Å; Y206-E208 WeakPolarHBondContact CE2-OE1 3.44Å; Y206-E208 PolarHBondContact OH-OE1 3.5Å
209	C	41.5	Very low	47.9	Very low	21 Å²	21	84.8 Å²	84.8	14%	0.142	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.5	167.7	-33.1	0	0	0	0	108.7	T211 K238 C240 L263	C209-T211 PolarHBondContact O-N 2.91Å; C209-K238 PolarHBondContact N-O 3Å; C209-C240 VanDerWaalsContact CA-SG 3.56Å; C209-C240 HydrophobicContact CB-CB 4.42Å; C209-C240 WeakPolarHBondContact CB-SG 3.41Å; C209-C240 PolarHBondContact N-SG 3.25Å; C209-C240 WeakPolarHBondContact SG-CB 3.27Å; C209-C240 CovalentContact SG-SG 2.02Å; C209-C240 PolarHBondContact SG-SG 3.4Å; C209-L263 HydrophobicContact CB-CD2 3.88Å
210	L	37.9	Very low	45.2	Very low	81 Å²	81	84.6 Å²	84.6	42%	0.424	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.5	170.9	-73.4	158.9	0	0	0	108.7	F235 N237	L210-F235 HydrophobicContact CD2-CB 4.05Å; L210-F235 HydrophobicContact CD2-CD1 4.17Å; L210-F235 HydrophobicContact CD2-CG 4.5Å; L210-N237 WeakPolarHBondContact CD2-OD1 3.35Å
211	T	35.1	Very low	43.2	Very low	62 Å²	62	87.7 Å²	87.7	38%	0.38	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.5	165.4	46.2	0	0	0	0	109.5	C209 T236	C209-T211 PolarHBondContact O-N 2.91Å; T211-T236 PolarHBondContact OG1-OG1 2.92Å; T211-T236 VanDerWaalsContact OG1-OG1 3.09Å
212	I	35.9	Very low	41	Very low	92 Å²	92	86 Å²	86	47%	0.472	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.8	169.5	-59.3	172.2	0	0	0	107.1	T233 F235	I212-T233 HydrophobicContact CG2-CG2 4.25Å; I212-F235 HydrophobicContact CG1-CD1 4.46Å; I212-F235 HydrophobicContact CG1-CE1 4.03Å
213	S	36.2	Very low	39.2	Very low	50 Å²	50	92.5 Å²	92.5	35%	0.35	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.9	167.2	51.8	0	0	0	0	109.2	Y234	S213-Y234 PolarHBondContact OG-O 2.95Å
214	N	34.1	Very low	37.7	Very low	98 Å²	98	97.4 Å²	97.4	52%	0.524	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.8	168.9	-71.1	-5.5	0	0	0	108.4	I231 T233	N214-I231 HydrophobicContact CB-CG2 4.49Å; N214-T233 WeakPolarHBondContact OD1-CG2 3.44Å
215	T	33.4	Very low	36.4	Very low	62 Å²	62	102.9 Å²	102.9	38%	0.38	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.2	116.2	166.2	44.6	0	0	0	0	108.9	S232	T215-S232 PolarHBondContact OG1-OG 3.06Å
216	T	35.1	Very low	35.3	Very low	105 Å²	105	102 Å²	102	64%	0.644	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.9	106.6	167.6	46.7	0	0	0	0	109.1	T218	T216-T218 PolarHBondContact O-N 2.84Å
217	N	34.4	Very low	34.5	Very low	138 Å²	138	103.9 Å²	103.9	74%	0.738	60%	0.596	S	S	*	*			trans	-81.5	98.3	165.5	-72.7	-6.4	0	0	0	108.1	T219	N217-T219 PolarHBondContact O-N 3.36Å
218	T	32.3	Very low	33.9	Very low	123 Å²	123	106.7 Å²	106.7	76%	0.755	62%	0.622	S	S	*	*			trans	-80.4	98.9	166.9	44.4	0	0	0	0	108.9	T216 T220	T216-T218 PolarHBondContact O-N 2.84Å; T218-T220 PolarHBondContact O-N 2.95Å
219	T	31.8	Very low	33.4	Very low	120 Å²	120	107.7 Å²	107.7	74%	0.736	64%	0.638	S	S	*	*			trans	-76.2	110.3	161.5	45.7	0	0	0	0	108.3	N217 T221	N217-T219 PolarHBondContact O-N 3.36Å; T219-T221 PolarHBondContact O-N 3.48Å; T219-T221 VanDerWaalsContact O-N 3.1Å
220	T	29.4	Very low	32.7	Very low	138 Å²	138	115.3 Å²	115.3	85%	0.847	67%	0.673	S	S	*	*			trans	-70.5	97.2	170.1	45.2	0	0	0	0	109.4	T218	T218-T220 PolarHBondContact O-N 2.95Å
221	T	33.1	Very low	32.4	Very low	119 Å²	119	116.6 Å²	116.6	73%	0.73	68%	0.679	S	S	*	*			trans	-113.9	111.8	161.4	47.4	0	0	0	0	108.3	T219	T219-T221 PolarHBondContact O-N 3.48Å; T219-T221 VanDerWaalsContact O-N 3.1Å
222	T	32.5	Very low	32	Very low	127 Å²	127	115.4 Å²	115.4	78%	0.779	67%	0.674	S	S	*	*			trans	-57	137.4	167.6	43.6	0	0	0	0	110.2
223	N	34.8	Very low	31.7	Very low	143 Å²	143	114.7 Å²	114.7	77%	0.765	67%	0.674	S	S	*	*	S	Bend	trans	97.9	118.9	170.3	-57.2	-18	0	0	0	117
224	N	35.6	Very low	31.5	Very low	146 Å²	146	118.7 Å²	118.7	78%	0.781	68%	0.682	S	S	*	*	S	Bend	trans	68.4	106.3	154.1	-63.6	-12.5	0	0	0	118.4	N226	N224-N226 PolarHBondContact O-N 2.92Å
225	N	32.8	Very low	31.5	Very low	150 Å²	150	120.3 Å²	120.3	80%	0.802	69%	0.685	S	S	*	*	S	Bend	trans	34	83	136.5	-61	-11.1	0	0	0	115.8
226	N	30	Very low	31.4	Very low	158 Å²	158	120.2 Å²	120.2	85%	0.845	68%	0.684	S	S	*	*			trans	149.5	77.3	147	-75.1	-22.7	0	0	0	109.7	N224 S228	N224-N226 PolarHBondContact O-N 2.92Å; N226-S228 PolarHBondContact O-N 3.32Å
227	S	27.5	Very low	31.7	Very low	121 Å²	121	119.9 Å²	119.9	85%	0.846	68%	0.678	S	S	*	*			trans	-81	94.4	171.5	45.2	0	0	0	0	110.5	S229	S227-S229 PolarHBondContact O-N 2.88Å
228	S	28.1	Very low	31.9	Very low	113 Å²	113	118.9 Å²	118.9	79%	0.79	67%	0.668	S	S	*	*			trans	-80.8	101.4	164.7	36.1	0	0	0	0	109.8	N226	N226-S228 PolarHBondContact O-N 3.32Å
229	S	30.5	Very low	32.3	Very low	95 Å²	95	117.1 Å²	117.1	66%	0.664	65%	0.653	S	S	*	*			trans	-74.9	117.5	169.4	48.9	0	0	0	0	110.6	S227	S227-S229 PolarHBondContact O-N 2.88Å
230	M	26.7	Very low	32.7	Very low	180 Å²	180	114 Å²	114	89%	0.887	64%	0.636	S	S	*	*			trans	-81.2	118.9	164.9	-90.5	-166.9	178.5	0	0	109
231	I	31.1	Very low	33.2	Very low	108 Å²	108	111.8 Å²	111.8	55%	0.554	62%	0.622	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.4	112.9	171.5	-60.1	171.4	0	0	0	107.3	N214 T233	N214-I231 HydrophobicContact CB-CG2 4.49Å; I231-T233 HydrophobicContact CG2-CG2 4.32Å
232	S	27.3	Very low	33.3	Very low	38 Å²	38	109.8 Å²	109.8	27%	0.266	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	119.9	164.8	49.8	0	0	0	0	109.5	T215 Y234	T215-S232 PolarHBondContact OG1-OG 3.06Å; S232-Y234 WeakPolarHBondContact OG-CE2 3.29Å; S232-Y234 PolarHBondContact OG-OH 2.91Å
233	T	29.8	Very low	33.5	Very low	76 Å²	76	108.9 Å²	108.9	47%	0.466	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	115.9	172.5	46.5	0	0	0	0	109.1	I212 N214 I231	I212-T233 HydrophobicContact CG2-CG2 4.25Å; N214-T233 WeakPolarHBondContact OD1-CG2 3.44Å; I231-T233 HydrophobicContact CG2-CG2 4.32Å
234	Y	31.8	Very low	33.6	Very low	134 Å²	134	106.2 Å²	106.2	53%	0.525	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	136.1	170.2	-54.1	-83.2	0	0	0	109.6	S213 S232	S213-Y234 PolarHBondContact OG-O 2.95Å; S232-Y234 WeakPolarHBondContact OG-CE2 3.29Å; S232-Y234 PolarHBondContact OG-OH 2.91Å
235	F	33.5	Very low	33.7	Very low	133 Å²	133	103 Å²	103	58%	0.583	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96	123.2	174.3	-66.8	-80.9	0	0	0	109	L210 I212	L210-F235 HydrophobicContact CD2-CB 4.05Å; L210-F235 HydrophobicContact CD2-CD1 4.17Å; L210-F235 HydrophobicContact CD2-CG 4.5Å; I212-F235 HydrophobicContact CG1-CD1 4.46Å; I212-F235 HydrophobicContact CG1-CE1 4.03Å
236	T	32.1	Very low	33.8	Very low	59 Å²	59	103 Å²	103	36%	0.362	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.6	129.4	173.5	50.4	0	0	0	0	109.9	T211	T211-T236 PolarHBondContact OG1-OG1 2.92Å; T211-T236 VanDerWaalsContact OG1-OG1 3.09Å
237	N	40	Very low	34	Very low	98 Å²	98	100 Å²	100	52%	0.524	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.7	124.2	173.6	-71	-0.2	0	0	0	108.7	L210	L210-N237 WeakPolarHBondContact CD2-OD1 3.35Å
238	K	39.2	Very low	34.2	Very low	118 Å²	118	98.5 Å²	98.5	51%	0.513	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.9	143.7	170.5	-76.6	-175.5	177	178	0	111.1	C209 C240	C209-K238 PolarHBondContact N-O 3Å; K238-C240 PolarHBondContact O-N 2.94Å
239	N	41.7	Very low	34.6	Very low	85 Å²	85	99.1 Å²	99.1	46%	0.455	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.2	118.8	170.4	-80.7	-6.4	0	0	0	109.3	Y206 T241	Y206-N239 WeakPolarHBondContact CD2-OD1 3.17Å; N239-T241 PolarHBondContact O-N 3.48Å
240	C	39.3	Very low	34.6	Very low	56 Å²	56	99.7 Å²	99.7	38%	0.378	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	8.2	-177.2	-66.4	0	0	0	0	114.6	K207 C209 K238	K207-C240 HydrophobicContact CB-CB 4.34Å; K207-C240 WeakPolarHBondContact O-CB 3.25Å; K207-C240 PolarHBondContact O-N 2.92Å; K207-C240 VanDerWaalsContact O-N 3.08Å; C209-C240 VanDerWaalsContact CA-SG 3.56Å; C209-C240 HydrophobicContact CB-CB 4.42Å; C209-C240 WeakPolarHBondContact CB-SG 3.41Å; C209-C240 PolarHBondContact N-SG 3.25Å; C209-C240 WeakPolarHBondContact SG-CB 3.27Å; C209-C240 CovalentContact SG-SG 2.02Å; C209-C240 PolarHBondContact SG-SG 3.4Å; K238-C240 PolarHBondContact O-N 2.94Å
241	T	40.5	Very low	34.7	Very low	90 Å²	90	95.5 Å²	95.5	55%	0.552	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.5	-174.1	49.5	0	0	0	0	114	N239	N239-T241 PolarHBondContact O-N 3.48Å
242	T	34.2	Very low	34.7	Very low	77 Å²	77	95.6 Å²	95.6	47%	0.472	55%	0.553	S	S	.	*			trans	-95.8	126.9	177.3	50.3	0	0	0	0	111.9	S244	T242-S244 PolarHBondContact O-N 3.11Å
243	P	38.1	Very low	34.9	Very low	109 Å²	109	100.1 Å²	100.1	71%	0.708	57%	0.573	S	S	*	*	S	Bend	trans	-64.9	2.1	179	-17.7	29.8	0	0	0	115.6	I245	P243-I245 VanDerWaalsContact C-N 3.31Å; P243-I245 PolarHBondContact O-N 3.39Å
244	S	35.6	Very low	34.9	Very low	87 Å²	87	105.3 Å²	105.3	61%	0.608	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	11.4	-166.2	58.2	0	0	0	0	115.9	T242	T242-S244 PolarHBondContact O-N 3.11Å
245	I	37.8	Very low	34.7	Very low	78 Å²	78	106.5 Å²	106.5	40%	0.4	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.4	-7.1	176.7	-57.9	176.9	0	0	0	112	P243 S247 I249	P243-I245 VanDerWaalsContact C-N 3.31Å; P243-I245 PolarHBondContact O-N 3.39Å; I245-S247 PolarHBondContact O-N 3.05Å; I245-I249 HydrophobicContact CG2-CD1 3.89Å
246	Q	35.5	Very low	34.5	Very low	149 Å²	149	105.4 Å²	105.4	70%	0.696	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-3.8	-178.7	-90.1	169.2	-41.9	0	0	115.3
247	S	33	Very low	34.2	Very low	97 Å²	97	108.4 Å²	108.4	68%	0.678	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	3.8	-173.8	60.9	0	0	0	0	116.1	I245	I245-S247 PolarHBondContact O-N 3.05Å
248	S	32.6	Very low	33.6	Very low	88 Å²	88	110 Å²	110	62%	0.615	64%	0.637	S	S	*	*	S	Bend	trans	-119.8	9.6	-176.4	66.1	0	0	0	0	115.2
249	I	35.7	Very low	33.1	Very low	127 Å²	127	109.4 Å²	109.4	65%	0.651	64%	0.644	S	S	*	*	S	Bend	trans	-113.9	3.3	-179.2	-58.4	174.3	0	0	0	111.4	I245 S251	I245-I249 HydrophobicContact CG2-CD1 3.89Å; I249-S251 VanDerWaalsContact C-N 3.32Å; I249-S251 PolarHBondContact O-N 2.84Å
250	S	30.3	Very low	32.5	Very low	106 Å²	106	110 Å²	110	74%	0.741	65%	0.652	S	S	*	*	S	Bend	trans	-85.5	14.6	-175.8	56.2	0	0	0	0	115.6
251	S	29.3	Very low	32.3	Very low	92 Å²	92	113.5 Å²	113.5	64%	0.643	66%	0.661	S	S	*	*	S	Bend	trans	-155.5	123.3	176.7	56.5	0	0	0	0	111	I249	I249-S251 VanDerWaalsContact C-N 3.32Å; I249-S251 PolarHBondContact O-N 2.84Å
252	S	30.4	Very low	32	Very low	111 Å²	111	116.9 Å²	116.9	78%	0.776	67%	0.671	S	S	*	*	S	Bend	trans	80.8	137.2	-175.1	78	0	0	0	0	114.9
253	I	32.6	Very low	32.1	Very low	132 Å²	132	116.8 Å²	116.8	68%	0.677	67%	0.667	S	S	*	*			trans	93.2	56.9	-168.2	-42.7	159.4	0	0	0	113.1	I256	I253-I256 HydrophobicContact CG2-CB 4.47Å; I253-I256 HydrophobicContact CG2-CD1 4.23Å; I253-I256 HydrophobicContact CG2-CG1 4.18Å
254	E	29.3	Very low	32	Very low	186 Å²	186	116.2 Å²	116.2	87%	0.869	66%	0.662	S	S	*	*			trans	-78.7	142.8	135.4	-73.3	176.8	160.3	0	0	106.3
255	D	27.2	Very low	32.2	Very low	158 Å²	158	113.9 Å²	113.9	85%	0.845	65%	0.645	S	S	*	*	S	Bend	trans	81.7	52.1	178.4	-55.3	-21.8	0	0	0	119.6
256	I	29.8	Very low	32.7	Very low	111 Å²	111	116.7 Å²	116.7	57%	0.569	66%	0.659	S	S	*	*			trans	-139.4	110.9	147.2	-51.6	175.1	0	0	0	109.4	I253 L258	I253-I256 HydrophobicContact CG2-CB 4.47Å; I253-I256 HydrophobicContact CG2-CD1 4.23Å; I253-I256 HydrophobicContact CG2-CG1 4.18Å; I256-L258 HydrophobicContact CB-CD1 3.95Å; I256-L258 HydrophobicContact CD1-CD1 4.44Å; I256-L258 HydrophobicContact CG2-CB 4.39Å; I256-L258 HydrophobicContact CG2-CD1 3.46Å; I256-L258 VanDerWaalsContact CG2-CD1 3.46Å; I256-L258 HydrophobicContact CG2-CG 3.78Å; I256-L258 PolarHBondContact O-N 3.33Å
257	S	26.2	Very low	33.6	Very low	122 Å²	122	110.8 Å²	110.8	85%	0.853	63%	0.632	S	S	*	*			trans	-66.9	71.6	165.4	58.9	0	0	0	0	110.2	T259	S257-T259 PolarHBondContact O-N 2.92Å
258	L	28.1	Very low	34.8	Very low	130 Å²	130	108 Å²	108	68%	0.681	61%	0.607	S	S	*	*			trans	-77.9	96.3	171.1	-99.6	135.5	0	0	0	107.7	I256	I256-L258 HydrophobicContact CB-CD1 3.95Å; I256-L258 HydrophobicContact CD1-CD1 4.44Å; I256-L258 HydrophobicContact CG2-CB 4.39Å; I256-L258 HydrophobicContact CG2-CD1 3.46Å; I256-L258 VanDerWaalsContact CG2-CD1 3.46Å; I256-L258 HydrophobicContact CG2-CG 3.78Å; I256-L258 PolarHBondContact O-N 3.33Å
259	T	27.3	Very low	36.5	Very low	106 Å²	106	106.1 Å²	106.1	65%	0.65	59%	0.592	S	S	*	*			trans	-53.3	136.6	159.8	47.8	0	0	0	0	108.2	S257 K261	S257-T259 PolarHBondContact O-N 2.92Å; T259-K261 VanDerWaalsContact C-N 3.31Å; T259-K261 PolarHBondContact O-N 2.98Å
260	P	29.2	Very low	38.5	Very low	97 Å²	97	102.1 Å²	102.1	63%	0.63	57%	0.572	S	S	*	*			trans	-67.7	94.7	-177.2	27.9	-31.9	0	0	0	107.9	F11 Q262	F11-P260 HydrophobicContact CZ-CB 4Å; F11-P260 HydrophobicContact CZ-CG 4.16Å; P260-Q262 PolarHBondContact O-N 3.41Å; P260-Q262 VanDerWaalsContact O-N 3.14Å
261	K	35	Very low	41.1	Very low	130 Å²	130	103.1 Å²	103.1	57%	0.565	56%	0.559	S	S	*	*			trans	-58.3	119.8	169.1	-81.1	-177.9	175.7	177.9	0	106.5	T259 L263	T259-K261 VanDerWaalsContact C-N 3.31Å; T259-K261 PolarHBondContact O-N 2.98Å; K261-L263 PolarHBondContact O-N 3.19Å; K261-L263 VanDerWaalsContact O-N 3.15Å
262	Q	35.4	Very low	43.8	Very low	162 Å²	162	106 Å²	106	76%	0.757	56%	0.561	S	S	*	*			trans	-38	116.7	-179.4	-83	169	-59.2	0	0	111.2	P260 T264	P260-Q262 PolarHBondContact O-N 3.41Å; P260-Q262 VanDerWaalsContact O-N 3.14Å; Q262-T264 PolarHBondContact O-N 3.07Å
263	L	35.2	Very low	46.4	Very low	75 Å²	75	102 Å²	102	39%	0.393	53%	0.529	S	S	.	.			trans	-60.9	104.6	160.8	-111.5	81.2	0	0	0	106.8	L15 C209 K261 C265	L15-L263 HydrophobicContact CD2-CD1 4.26Å; L15-L263 HydrophobicContact CD2-CD2 4.22Å; C209-L263 HydrophobicContact CB-CD2 3.88Å; K261-L263 PolarHBondContact O-N 3.19Å; K261-L263 VanDerWaalsContact O-N 3.15Å; L263-C265 PolarHBondContact O-N 3.21Å
264	T	36.1	Very low	48.9	Very low	97 Å²	97	96.2 Å²	96.2	60%	0.595	50%	0.501	S	S	*	.			trans	-83.3	101.9	167.8	53.2	0	0	0	0	107.4	Q262 I266	Q262-T264 PolarHBondContact O-N 3.07Å; T264-I266 PolarHBondContact O-N 3.47Å
265	C	41.3	Very low	51.7	Low	38 Å²	38	90.5 Å²	90.5	26%	0.257	48%	0.475	S	S	.	.			trans	-67.6	126	163.8	-73.1	0	0	0	0	109.4	C20 L263	C20-C265 VanDerWaalsContact CA-SG 3.53Å; C20-C265 HydrophobicContact CB-CB 3.1Å; C20-C265 WeakPolarHBondContact CB-SG 3.42Å; C20-C265 WeakPolarHBondContact SG-CB 3.47Å; C20-C265 CovalentContact SG-SG 2.04Å; C20-C265 PolarHBondContact SG-SG 3.35Å; L263-C265 PolarHBondContact O-N 3.21Å
266	I	47.4	Very low	54.7	Low	137 Å²	137	84.7 Å²	84.7	70%	0.703	45%	0.446	S	S	*	.			trans	-92.5	118.1	167	-59.6	173.5	0	0	0	106.9	T264 K268	T264-I266 PolarHBondContact O-N 3.47Å; I266-K268 PolarHBondContact O-N 2.99Å
267	H	53.4	Low	57.4	Low	25 Å²	25	80.7 Å²	80.7	12%	0.116	43%	0.425	C	S	.	.			trans	-68.6	103.4	178.5	-174.6	-95.7	0	0	0	110.2	N202 I203	N202-H267 PolarHBondContact ND2-CE1 3.13Å; I203-H267 WeakPolarHBondContact CG1-NE2 3.49Å
268	K	59.2	Low	60.5	Low	39 Å²	39	75 Å²	75	17%	0.17	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-90.9	123.8	174.7	-167.1	164.5	-177	158.7	0	109.4	I204 I266 D511	I204-K268 HydrophobicContact CD1-CB 4.26Å; I204-K268 HydrophobicContact CD1-CG 4.09Å; I266-K268 PolarHBondContact O-N 2.99Å; K268-D511 WeakPolarHBondContact CE-OD1 3.29Å; K268-D511 VanDerWaalsContact NZ-CG 3.27Å; K268-D511 IonicContact NZ-OD1 2.7Å; K268-D511 PolarHBondContact NZ-OD1 3.36Å; K268-D511 IonicContact NZ-OD2 3.02Å; K268-D511 PolarHBondContact NZ-OD2 3.03Å
269	V	68.1	Low	63.5	Low	47 Å²	47	72.2 Å²	72.2	29%	0.285	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-71.5	134.5	178.5	-179.6	0	0	0	0	109	R271 Y273 A274	V269-R271 PolarHBondContact O-N 3.35Å; V269-Y273 HydrophobicContact CG1-CD1 3.58Å; V269-Y273 HydrophobicContact CG1-CE1 4.18Å; V269-A274 HydrophobicContact CG1-CB 4.26Å
270	D	78.5	Confident	66.4	Low	44 Å²	44	73 Å²	73	24%	0.235	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-58.7	136.5	176.1	-178	75.9	0	0	0	111.9	N202 I204 F272 Y273 A274	N202-D270 PolarHBondContact O-N 3.17Å; I204-D270 VanDerWaalsContact CG1-CA 3.45Å; I204-D270 HydrophobicContact CG1-CB 3.68Å; D270-F272 PolarHBondContact O-N 2.88Å; D270-F272 WeakPolarHBondContact OD2-CA 3.21Å; D270-F272 WeakPolarHBondContact OD2-CB 3.45Å; D270-F272 PolarHBondContact OD2-N 2.84Å; D270-Y273 PolarHBondContact O-N 3.41Å; D270-Y273 PolarHBondContact OD2-N 3.41Å; D270-A274 WeakPolarHBondContact O-CB 3.04Å; D270-A274 PolarHBondContact O-N 2.9Å
271	R	84.3	Confident	69.3	Low	126 Å²	126	68.6 Å²	68.6	48%	0.475	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-42.4	-176.4	-66.4	177.2	-177.1	158.8	3.2	111.8	V269 Y273 A274 I275 S508	V269-R271 PolarHBondContact O-N 3.35Å; R271-Y273 VanDerWaalsContact C-N 3.34Å; R271-A274 PolarHBondContact O-N 3.41Å; R271-I275 WeakPolarHBondContact O-CD1 3.42Å; R271-I275 VanDerWaalsContact O-CG1 3.28Å; R271-I275 WeakPolarHBondContact O-CG1 3.41Å; R271-I275 PolarHBondContact O-N 2.87Å; R271-I275 VanDerWaalsContact O-N 3.12Å; R271-S508 WeakPolarHBondContact CG-O 3.48Å; R271-S508 PolarHBondContact NE-O 3.06Å
272	F	86.7	Confident	71.9	Confident	154 Å²	154	62.5 Å²	62.5	68%	0.675	31%	0.31	S	S	*	.	H	α-helix	trans	-66.3	-42.4	179.1	-177.7	-95.8	0	0	0	110.1	D270 T276	D270-F272 PolarHBondContact O-N 2.88Å; D270-F272 WeakPolarHBondContact OD2-CA 3.21Å; D270-F272 WeakPolarHBondContact OD2-CB 3.45Å; D270-F272 PolarHBondContact OD2-N 2.84Å; F272-T276 HydrophobicContact CD1-CG2 4.08Å; F272-T276 HydrophobicContact CD2-CG2 4.43Å; F272-T276 HydrophobicContact CE1-CG2 3.73Å; F272-T276 HydrophobicContact CE2-CG2 4.12Å; F272-T276 HydrophobicContact CG-CG2 4.42Å; F272-T276 HydrophobicContact CZ-CG2 3.76Å; F272-T276 WeakPolarHBondContact O-CB 3.42Å; F272-T276 VanDerWaalsContact O-CG2 3.27Å; F272-T276 WeakPolarHBondContact O-CG2 3.23Å; F272-T276 PolarHBondContact O-N 3.14Å; F272-T276 PolarHBondContact O-OG1 3.22Å
273	Y	84.6	Confident	74.6	Confident	27 Å²	27	58.2 Å²	58.2	11%	0.106	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-46.6	173.2	176.4	-101.4	0	0	0	112.8	P196 I197 N202 V269 D270 R271 I275 T276 N277	P196-Y273 HydrophobicContact CB-CD2 4.09Å; P196-Y273 HydrophobicContact CB-CE2 3.41Å; P196-Y273 VanDerWaalsContact CB-CE2 3.41Å; P196-Y273 HydrophobicContact CG-CE2 4.32Å; I197-Y273 WeakPolarHBondContact CG1-OH 3.46Å; N202-Y273 HydrophobicContact CB-CD1 3.4Å; N202-Y273 VanDerWaalsContact CB-CD1 3.4Å; N202-Y273 HydrophobicContact CB-CD2 4.09Å; N202-Y273 HydrophobicContact CB-CE1 3.4Å; N202-Y273 VanDerWaalsContact CB-CE1 3.4Å; N202-Y273 HydrophobicContact CB-CE2 4.14Å; N202-Y273 HydrophobicContact CB-CG 3.73Å; V269-Y273 HydrophobicContact CG1-CD1 3.58Å; V269-Y273 HydrophobicContact CG1-CE1 4.18Å; D270-Y273 PolarHBondContact O-N 3.41Å; D270-Y273 PolarHBondContact OD2-N 3.41Å; R271-Y273 VanDerWaalsContact C-N 3.34Å; Y273-I275 VanDerWaalsContact C-N 3.35Å; Y273-I275 PolarHBondContact O-N 2.93Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.28Å; Y273-T276 PolarHBondContact O-N 2.92Å; Y273-T276 PolarHBondContact O-OG1 2.9Å; Y273-T276 VanDerWaalsContact O-OG1 3.08Å; Y273-N277 HydrophobicContact CE1-CB 4.44Å; Y273-N277 HydrophobicContact CE2-CB 4.3Å; Y273-N277 WeakPolarHBondContact O-CB 3.49Å; Y273-N277 PolarHBondContact O-N 2.89Å
274	A	84.6	Confident	77.4	Confident	10 Å²	10	58.1 Å²	58.1	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-45.7	-179	0	0	0	0	0	112	V269 D270 R271 A278	V269-A274 HydrophobicContact CG1-CB 4.26Å; D270-A274 WeakPolarHBondContact O-CB 3.04Å; D270-A274 PolarHBondContact O-N 2.9Å; R271-A274 PolarHBondContact O-N 3.41Å; A274-A278 WeakPolarHBondContact O-CB 3.39Å; A274-A278 PolarHBondContact O-N 3.45Å; A274-A278 VanDerWaalsContact O-N 3.09Å
275	I	88.8	Confident	80.1	Confident	65 Å²	65	53.9 Å²	53.9	33%	0.333	27%	0.266	S	S	.	.	H	α-helix	trans	-67.8	-49	179.1	-62.4	164.5	0	0	0	110.9	R271 Y273 N277 A278 I279 F509	R271-I275 WeakPolarHBondContact O-CD1 3.42Å; R271-I275 VanDerWaalsContact O-CG1 3.28Å; R271-I275 WeakPolarHBondContact O-CG1 3.41Å; R271-I275 PolarHBondContact O-N 2.87Å; R271-I275 VanDerWaalsContact O-N 3.12Å; Y273-I275 VanDerWaalsContact C-N 3.35Å; Y273-I275 PolarHBondContact O-N 2.93Å; I275-N277 PolarHBondContact O-N 3.25Å; I275-A278 PolarHBondContact O-N 3.24Å; I275-I279 HydrophobicContact CG2-CD1 3.79Å; I275-I279 HydrophobicContact CG2-CG1 4.5Å; I275-I279 VanDerWaalsContact O-CG1 3.31Å; I275-I279 WeakPolarHBondContact O-CG1 3.23Å; I275-I279 PolarHBondContact O-N 3.44Å; I275-F509 HydrophobicContact CD1-CE2 4.4Å; I275-F509 HydrophobicContact CD1-CZ 3.76Å; I275-F509 HydrophobicContact CG1-CE2 4.48Å; I275-F509 HydrophobicContact CG1-CZ 4.32Å
276	T	89.4	Confident	82.5	Confident	37 Å²	37	53.1 Å²	53.1	23%	0.227	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-41.9	-178.5	51.7	0	0	0	0	111.8	F272 Y273 I279 F280	F272-T276 HydrophobicContact CD1-CG2 4.08Å; F272-T276 HydrophobicContact CD2-CG2 4.43Å; F272-T276 HydrophobicContact CE1-CG2 3.73Å; F272-T276 HydrophobicContact CE2-CG2 4.12Å; F272-T276 HydrophobicContact CG-CG2 4.42Å; F272-T276 HydrophobicContact CZ-CG2 3.76Å; F272-T276 WeakPolarHBondContact O-CB 3.42Å; F272-T276 VanDerWaalsContact O-CG2 3.27Å; F272-T276 WeakPolarHBondContact O-CG2 3.23Å; F272-T276 PolarHBondContact O-N 3.14Å; F272-T276 PolarHBondContact O-OG1 3.22Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.28Å; Y273-T276 PolarHBondContact O-N 2.92Å; Y273-T276 PolarHBondContact O-OG1 2.9Å; Y273-T276 VanDerWaalsContact O-OG1 3.08Å; T276-I279 PolarHBondContact O-N 3.45Å; T276-F280 WeakPolarHBondContact O-CD2 3.4Å; T276-F280 PolarHBondContact O-N 2.95Å
277	N	87.1	Confident	84.7	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.139	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-45.4	174.4	-175.8	41.3	0	0	0	111.5	Q142 Y273 I275 I279 S281	Q142-N277 PolarHBondContact NE2-OD1 3.22Å; Q142-N277 VanDerWaalsContact NE2-OD1 3.16Å; Q142-N277 PolarHBondContact OE1-ND2 2.97Å; Y273-N277 HydrophobicContact CE1-CB 4.44Å; Y273-N277 HydrophobicContact CE2-CB 4.3Å; Y273-N277 WeakPolarHBondContact O-CB 3.49Å; Y273-N277 PolarHBondContact O-N 2.89Å; I275-N277 PolarHBondContact O-N 3.25Å; N277-I279 VanDerWaalsContact C-N 3.29Å; N277-I279 PolarHBondContact O-N 3.27Å; N277-S281 WeakPolarHBondContact O-CB 3.38Å; N277-S281 PolarHBondContact O-N 2.89Å; N277-S281 PolarHBondContact O-OG 3.2Å; N277-S281 PolarHBondContact OD1-OG 3.42Å
278	A	90.3	Very high	86.6	Confident	4 Å²	4	52.7 Å²	52.7	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-38.3	177	0	0	0	0	0	112.5	A274 I275 F282 I283 F501 C505	A274-A278 WeakPolarHBondContact O-CB 3.39Å; A274-A278 PolarHBondContact O-N 3.45Å; A274-A278 VanDerWaalsContact O-N 3.09Å; I275-A278 PolarHBondContact O-N 3.24Å; A278-F282 PolarHBondContact O-N 3.27Å; A278-I283 HydrophobicContact CB-CD1 4.49Å; A278-I283 WeakPolarHBondContact O-CG1 3.49Å; A278-I283 PolarHBondContact O-N 3.13Å; A278-F501 HydrophobicContact CB-CD1 4.45Å; A278-C505 WeakPolarHBondContact CB-SG 3.49Å
279	I	91.7	Very high	88	Confident	71 Å²	71	51 Å²	51	36%	0.364	25%	0.25	S	S	.	.	I	π-helix	trans	-65.8	-57.4	178.2	-68.2	167.1	0	0	0	111.2	I275 T276 N277 I283 L284	I275-I279 HydrophobicContact CG2-CD1 3.79Å; I275-I279 HydrophobicContact CG2-CG1 4.5Å; I275-I279 VanDerWaalsContact O-CG1 3.31Å; I275-I279 WeakPolarHBondContact O-CG1 3.23Å; I275-I279 PolarHBondContact O-N 3.44Å; T276-I279 PolarHBondContact O-N 3.45Å; N277-I279 VanDerWaalsContact C-N 3.29Å; N277-I279 PolarHBondContact O-N 3.27Å; I279-I283 HydrophobicContact CG1-CD1 4.38Å; I279-I283 PolarHBondContact O-N 2.9Å; I279-L284 VanDerWaalsContact O-CB 3.31Å; I279-L284 WeakPolarHBondContact O-CB 3.19Å; I279-L284 PolarHBondContact O-N 3.48Å
280	F	89.3	Confident	89.1	Confident	121 Å²	121	53 Å²	53	53%	0.531	26%	0.258	S	S	.	.	I	π-helix	trans	-77.4	-33.9	-171.3	-74.8	-71.2	0	0	0	113.4	T276 L284 P285	T276-F280 WeakPolarHBondContact O-CD2 3.4Å; T276-F280 PolarHBondContact O-N 2.95Å; F280-L284 HydrophobicContact CD1-CD2 4.14Å; F280-L284 HydrophobicContact CE1-CD2 4.43Å; F280-P285 WeakPolarHBondContact O-CD 3.38Å
281	S	88.1	Confident	89.8	Confident	5 Å²	5	55 Å²	55	4%	0.035	27%	0.268	C	S	.	.	I	π-helix	trans	-87.3	-20.2	-175.7	-59.3	0	0	0	0	113.8	Q142 I192 N277	Q142-S281 PolarHBondContact NE2-OG 3.36Å; I192-S281 WeakPolarHBondContact CG2-OG 3.46Å; N277-S281 WeakPolarHBondContact O-CB 3.38Å; N277-S281 PolarHBondContact O-N 2.89Å; N277-S281 PolarHBondContact O-OG 3.2Å; N277-S281 PolarHBondContact OD1-OG 3.42Å
282	F	91.1	Very high	90.1	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	25%	0.252	C	S	.	.	I	π-helix	trans	-136	-59.2	-175.4	-176.1	-105.7	0	0	0	114.1	I149 A278 L284 P285 L286 F493 W497 L498 F501	I149-F282 HydrophobicContact CD1-CD2 4.05Å; A278-F282 PolarHBondContact O-N 3.27Å; F282-L284 PolarHBondContact O-N 3.26Å; F282-P285 WeakPolarHBondContact O-CD 3.41Å; F282-L286 HydrophobicContact CE1-CD2 3.89Å; F282-L286 HydrophobicContact CZ-CD2 4.13Å; F282-L286 WeakPolarHBondContact O-CB 3.09Å; F282-L286 PolarHBondContact O-N 3.23Å; F282-F493 AromaticContact CD2-CE1 3.88Å; F282-F493 HydrophobicContact CD2-CE1 3.88Å; F282-F493 HydrophobicContact CE2-CD1 4.22Å; F282-F493 AromaticContact CE2-CE1 3.65Å; F282-F493 HydrophobicContact CE2-CE1 3.65Å; F282-W497 HydrophobicContact CD2-CB 4.13Å; F282-W497 HydrophobicContact CE2-CB 3.51Å; F282-W497 HydrophobicContact CZ-CB 4.2Å; F282-L498 HydrophobicContact CE1-CB 4.29Å; F282-L498 HydrophobicContact CE1-CD1 3.83Å; F282-L498 HydrophobicContact CZ-CB 4.05Å; F282-L498 HydrophobicContact CZ-CD1 4.39Å; F282-F501 HydrophobicContact CB-CD1 3.91Å; F282-F501 HydrophobicContact CB-CD2 3.63Å; F282-F501 HydrophobicContact CB-CE1 3.88Å; F282-F501 HydrophobicContact CB-CE2 3.6Å; F282-F501 HydrophobicContact CB-CG 3.8Å; F282-F501 HydrophobicContact CB-CZ 3.74Å; F282-F501 HydrophobicContact CD1-CB 4.11Å; F282-F501 AromaticContact CD1-CD2 3.77Å; F282-F501 HydrophobicContact CD1-CD2 3.77Å; F282-F501 HydrophobicContact CD1-CE2 4.46Å; F282-F501 AromaticContact CD1-CG 4Å; F282-F501 HydrophobicContact CD1-CG 4Å; F282-F501 AromaticContact CD2-CD2 3.45Å; F282-F501 HydrophobicContact CD2-CD2 3.45Å; F282-F501 VanDerWaalsContact CD2-CD2 3.45Å; F282-F501 AromaticContact CD2-CE2 3.41Å; F282-F501 HydrophobicContact CD2-CE2 3.41Å; F282-F501 VanDerWaalsContact CD2-CE2 3.41Å; F282-F501 HydrophobicContact CD2-CG 4.39Å; F282-F501 HydrophobicContact CD2-CZ 4.31Å; F282-F501 HydrophobicContact CE1-CD2 4.27Å; F282-F501 HydrophobicContact CE2-CD2 4Å; F282-F501 HydrophobicContact CE2-CE2 4.19Å; F282-F501 HydrophobicContact CG-CB 4.43Å; F282-F501 HydrophobicContact CG-CD1 4.43Å; F282-F501 AromaticContact CG-CD2 3.32Å; F282-F501 HydrophobicContact CG-CD2 3.32Å; F282-F501 AromaticContact CG-CE2 3.58Å; F282-F501 HydrophobicContact CG-CE2 3.58Å; F282-F501 AromaticContact CG-CG 3.81Å; F282-F501 HydrophobicContact CG-CG 3.81Å; F282-F501 HydrophobicContact CG-CZ 4.24Å; F282-F501 HydrophobicContact CZ-CD2 4.38Å
283	I	92.3	Very high	90.2	Very high	73 Å²	73	45.7 Å²	45.7	37%	0.374	23%	0.231	S	C	.	.	I	π-helix	trans	-65	-46	-169.9	-61.5	169.5	0	0	0	111.8	A278 I279 L286 I287	A278-I283 HydrophobicContact CB-CD1 4.49Å; A278-I283 WeakPolarHBondContact O-CG1 3.49Å; A278-I283 PolarHBondContact O-N 3.13Å; I279-I283 HydrophobicContact CG1-CD1 4.38Å; I279-I283 PolarHBondContact O-N 2.9Å; I283-L286 WeakPolarHBondContact O-CB 3.42Å; I283-L286 PolarHBondContact O-N 3Å; I283-I287 HydrophobicContact CG2-CD1 3.81Å; I283-I287 HydrophobicContact CG2-CG1 4.42Å; I283-I287 VanDerWaalsContact O-CG1 3.31Å; I283-I287 WeakPolarHBondContact O-CG1 3.19Å; I283-I287 PolarHBondContact O-N 2.92Å
284	L	93.3	Very high	90.5	Very high	73 Å²	73	47.6 Å²	47.6	38%	0.382	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-52.1	-179.4	172	67.5	0	0	0	111.9	I279 F280 F282 L286 I287 I288	I279-L284 VanDerWaalsContact O-CB 3.31Å; I279-L284 WeakPolarHBondContact O-CB 3.19Å; I279-L284 PolarHBondContact O-N 3.48Å; F280-L284 HydrophobicContact CD1-CD2 4.14Å; F280-L284 HydrophobicContact CE1-CD2 4.43Å; F282-L284 PolarHBondContact O-N 3.26Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 3.43Å; L284-I287 PolarHBondContact O-N 2.84Å; L284-I288 HydrophobicContact CD1-CD1 4.1Å; L284-I288 HydrophobicContact CD1-CG1 4.45Å; L284-I288 HydrophobicContact CG-CD1 4.15Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 3.3Å; L284-I288 VanDerWaalsContact O-N 3.09Å
285	P	92.2	Very high	90.8	Very high	8 Å²	8	52 Å²	52	5%	0.052	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-33.9	174.2	-19.1	27.8	0	0	0	113.1	I149 L150 V153 F280 F282 I288 M289	I149-P285 HydrophobicContact CD1-CB 3.68Å; I149-P285 HydrophobicContact CD1-CG 4.27Å; I149-P285 HydrophobicContact CG1-CB 3.88Å; I149-P285 HydrophobicContact CG2-CB 4.21Å; I149-P285 HydrophobicContact CG2-CG 4.33Å; L150-P285 HydrophobicContact CD2-CB 4.35Å; L150-P285 HydrophobicContact CD2-CG 4.31Å; V153-P285 HydrophobicContact CG2-CB 4.4Å; F280-P285 WeakPolarHBondContact O-CD 3.38Å; F282-P285 WeakPolarHBondContact O-CD 3.41Å; P285-I288 PolarHBondContact O-N 3.35Å; P285-M289 VanDerWaalsContact O-CB 3.23Å; P285-M289 WeakPolarHBondContact O-CB 3.21Å; P285-M289 PolarHBondContact O-N 3.33Å
286	L	92.2	Very high	90.8	Very high	21 Å²	21	49 Å²	49	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.2	178.3	70.5	0	0	0	111.9	F282 I283 L284 M289 I290 T494	F282-L286 HydrophobicContact CE1-CD2 3.89Å; F282-L286 HydrophobicContact CZ-CD2 4.13Å; F282-L286 WeakPolarHBondContact O-CB 3.09Å; F282-L286 PolarHBondContact O-N 3.23Å; I283-L286 WeakPolarHBondContact O-CB 3.42Å; I283-L286 PolarHBondContact O-N 3Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 3.43Å; L286-M289 HydrophobicContact CD1-CE 3.52Å; L286-M289 WeakPolarHBondContact O-CB 3.39Å; L286-M289 PolarHBondContact O-N 3.27Å; L286-I290 HydrophobicContact CD1-CD1 4.26Å; L286-I290 HydrophobicContact CG-CD1 4Å; L286-I290 VanDerWaalsContact O-CG1 3.29Å; L286-I290 WeakPolarHBondContact O-CG1 3.14Å; L286-I290 PolarHBondContact O-N 3.46Å; L286-T494 HydrophobicContact CD1-CG2 3.53Å; L286-T494 WeakPolarHBondContact CD1-OG1 3.48Å; L286-T494 HydrophobicContact CD2-CG2 4.13Å; L286-T494 HydrophobicContact CG-CG2 4.48Å
287	I	93.9	Very high	90.7	Very high	86 Å²	86	50.6 Å²	50.6	44%	0.441	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-46.9	176.8	-69.7	166.2	0	0	0	110.4	I283 L284 M289 I290 I291	I283-I287 HydrophobicContact CG2-CD1 3.81Å; I283-I287 HydrophobicContact CG2-CG1 4.42Å; I283-I287 VanDerWaalsContact O-CG1 3.31Å; I283-I287 WeakPolarHBondContact O-CG1 3.19Å; I283-I287 PolarHBondContact O-N 2.92Å; L284-I287 PolarHBondContact O-N 2.84Å; I287-M289 VanDerWaalsContact C-N 3.29Å; I287-M289 PolarHBondContact O-N 3.25Å; I287-I290 PolarHBondContact O-N 3.13Å; I287-I291 HydrophobicContact CG2-CD1 3.79Å; I287-I291 HydrophobicContact CG2-CG1 4.49Å; I287-I291 VanDerWaalsContact O-CG1 3.31Å; I287-I291 WeakPolarHBondContact O-CG1 3.2Å; I287-I291 PolarHBondContact O-N 3.25Å
288	I	92.8	Very high	90.8	Very high	68 Å²	68	53.2 Å²	53.2	35%	0.349	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-45	177.3	-66.5	168.1	0	0	0	110.4	V153 L284 P285 I291 I292	V153-I288 HydrophobicContact CG1-CG2 3.81Å; L284-I288 HydrophobicContact CD1-CD1 4.1Å; L284-I288 HydrophobicContact CD1-CG1 4.45Å; L284-I288 HydrophobicContact CG-CD1 4.15Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 3.3Å; L284-I288 VanDerWaalsContact O-N 3.09Å; P285-I288 PolarHBondContact O-N 3.35Å; I288-I291 PolarHBondContact O-N 3.04Å; I288-I292 HydrophobicContact CG2-CD1 3.65Å; I288-I292 HydrophobicContact CG2-CG1 4.39Å; I288-I292 VanDerWaalsContact O-CG1 3.3Å; I288-I292 WeakPolarHBondContact O-CG1 3.34Å; I288-I292 PolarHBondContact O-N 2.66Å
289	M	89.1	Confident	90.5	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-47	177.9	-173.8	178.3	79.3	0	0	112	V153 P285 L286 I287 I291 I292 Y293 L490 T494	V153-M289 HydrophobicContact CG2-CB 4Å; P285-M289 VanDerWaalsContact O-CB 3.23Å; P285-M289 WeakPolarHBondContact O-CB 3.21Å; P285-M289 PolarHBondContact O-N 3.33Å; L286-M289 HydrophobicContact CD1-CE 3.52Å; L286-M289 WeakPolarHBondContact O-CB 3.39Å; L286-M289 PolarHBondContact O-N 3.27Å; I287-M289 VanDerWaalsContact C-N 3.29Å; I287-M289 PolarHBondContact O-N 3.25Å; M289-I291 PolarHBondContact O-N 3.29Å; M289-I292 PolarHBondContact O-N 3.42Å; M289-Y293 VanDerWaalsContact O-CB 3.27Å; M289-Y293 WeakPolarHBondContact O-CB 3.37Å; M289-Y293 PolarHBondContact O-N 2.76Å; M289-L490 HydrophobicContact CE-CB 3.9Å; M289-L490 WeakPolarHBondContact CE-O 3.46Å; M289-L490 HydrophobicContact CG-CB 4.07Å; M289-L490 HydrophobicContact CG-CD1 3.79Å; M289-L490 HydrophobicContact CG-CD2 3.75Å; M289-L490 HydrophobicContact CG-CG 4.02Å; M289-L490 HydrophobicContact SD-CB 3.67Å; M289-L490 HydrophobicContact SD-CD1 4.39Å; M289-L490 HydrophobicContact SD-CD2 3.44Å; M289-L490 WeakPolarHBondContact SD-CD2 3.29Å; M289-L490 HydrophobicContact SD-CG 3.94Å; M289-T494 VanDerWaalsContact CE-OG1 3.3Å; M289-T494 WeakPolarHBondContact CE-OG1 3.28Å
290	I	91.6	Very high	90.2	Very high	87 Å²	87	51.7 Å²	51.7	45%	0.446	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-45.1	177.9	-69.8	166.3	0	0	0	110.7	L286 I287 Y293 T294	L286-I290 HydrophobicContact CD1-CD1 4.26Å; L286-I290 HydrophobicContact CG-CD1 4Å; L286-I290 VanDerWaalsContact O-CG1 3.29Å; L286-I290 WeakPolarHBondContact O-CG1 3.14Å; L286-I290 PolarHBondContact O-N 3.46Å; I287-I290 PolarHBondContact O-N 3.13Å; I290-Y293 PolarHBondContact O-N 2.89Å; I290-T294 VanDerWaalsContact O-CB 3.3Å; I290-T294 WeakPolarHBondContact O-CB 3.1Å; I290-T294 PolarHBondContact O-N 3Å; I290-T294 PolarHBondContact O-OG1 3.45Å
291	I	92.7	Very high	90	Very high	88 Å²	88	50.9 Å²	50.9	45%	0.451	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-52.9	178.7	-68.5	167	0	0	0	110.4	I287 I288 M289 Y293 T294 H295	I287-I291 HydrophobicContact CG2-CD1 3.79Å; I287-I291 HydrophobicContact CG2-CG1 4.49Å; I287-I291 VanDerWaalsContact O-CG1 3.31Å; I287-I291 WeakPolarHBondContact O-CG1 3.2Å; I287-I291 PolarHBondContact O-N 3.25Å; I288-I291 PolarHBondContact O-N 3.04Å; M289-I291 PolarHBondContact O-N 3.29Å; I291-Y293 VanDerWaalsContact C-N 3.33Å; I291-Y293 PolarHBondContact O-N 3.25Å; I291-T294 PolarHBondContact O-N 3.38Å; I291-H295 PolarHBondContact O-CD2 3.44Å; I291-H295 PolarHBondContact O-N 3.01Å
292	I	90.5	Very high	89.7	Confident	27 Å²	27	55.4 Å²	55.4	14%	0.138	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-44.8	-178.4	-67.3	170.5	0	0	0	110.7	V153 A156 F157 F160 I288 M289 H295 L296	V153-I292 HydrophobicContact CG1-CD1 4.11Å; A156-I292 HydrophobicContact CB-CG2 3.8Å; F157-I292 HydrophobicContact CB-CD1 4.33Å; F157-I292 HydrophobicContact CD2-CD1 4.36Å; F160-I292 HydrophobicContact CB-CG2 4.38Å; I288-I292 HydrophobicContact CG2-CD1 3.65Å; I288-I292 HydrophobicContact CG2-CG1 4.39Å; I288-I292 VanDerWaalsContact O-CG1 3.3Å; I288-I292 WeakPolarHBondContact O-CG1 3.34Å; I288-I292 PolarHBondContact O-N 2.66Å; M289-I292 PolarHBondContact O-N 3.42Å; I292-H295 PolarHBondContact O-N 2.95Å; I292-L296 WeakPolarHBondContact O-CB 3.17Å; I292-L296 PolarHBondContact O-N 2.91Å
293	Y	89.5	Confident	89	Confident	57 Å²	57	58.8 Å²	58.8	22%	0.224	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-42.4	179.8	177.7	-103.7	0	0	0	112.3	M289 I290 I291 H295 L296 F297 A483 G487 L490	M289-Y293 VanDerWaalsContact O-CB 3.27Å; M289-Y293 WeakPolarHBondContact O-CB 3.37Å; M289-Y293 PolarHBondContact O-N 2.76Å; I290-Y293 PolarHBondContact O-N 2.89Å; I291-Y293 VanDerWaalsContact C-N 3.33Å; I291-Y293 PolarHBondContact O-N 3.25Å; Y293-H295 VanDerWaalsContact C-N 3.3Å; Y293-H295 PolarHBondContact O-N 3.22Å; Y293-L296 WeakPolarHBondContact O-CB 3.45Å; Y293-L296 PolarHBondContact O-N 3.48Å; Y293-L296 VanDerWaalsContact O-N 3.12Å; Y293-F297 HydrophobicContact CE1-CB 4.37Å; Y293-F297 WeakPolarHBondContact O-CB 3.27Å; Y293-F297 PolarHBondContact O-N 3.16Å; Y293-A483 WeakPolarHBondContact CE2-O 3.21Å; Y293-G487 VanDerWaalsContact CZ-CA 3.45Å; Y293-L490 HydrophobicContact CD2-CD1 4.12Å; Y293-L490 HydrophobicContact CG-CD1 4.32Å
294	T	90.8	Very high	88.2	Confident	67 Å²	67	57.2 Å²	57.2	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-58.8	-45.3	176.8	-58	0	0	0	0	110.4	I290 I291 F297 L298	I290-T294 VanDerWaalsContact O-CB 3.3Å; I290-T294 WeakPolarHBondContact O-CB 3.1Å; I290-T294 PolarHBondContact O-N 3Å; I290-T294 PolarHBondContact O-OG1 3.45Å; I291-T294 PolarHBondContact O-N 3.38Å; T294-F297 PolarHBondContact O-N 3.49Å; T294-L298 HydrophobicContact CG2-CD1 3.99Å; T294-L298 HydrophobicContact CG2-CG 4.45Å; T294-L298 WeakPolarHBondContact O-CB 3.35Å; T294-L298 VanDerWaalsContact O-CG 3.23Å; T294-L298 WeakPolarHBondContact O-CG 3.33Å; T294-L298 PolarHBondContact O-N 3.36Å
295	H	90.6	Very high	87.4	Confident	103 Å²	103	57.6 Å²	57.6	48%	0.477	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-43.1	173.8	-79.5	-68.7	0	0	0	112.8	F160 I291 I292 Y293 L299	F160-H295 HydrophobicContact CD2-CB 4.41Å; F160-H295 HydrophobicContact CE2-CB 3.86Å; I291-H295 PolarHBondContact O-CD2 3.44Å; I291-H295 PolarHBondContact O-N 3.01Å; I292-H295 PolarHBondContact O-N 2.95Å; Y293-H295 VanDerWaalsContact C-N 3.3Å; Y293-H295 PolarHBondContact O-N 3.22Å; H295-L299 WeakPolarHBondContact O-CB 3.42Å; H295-L299 VanDerWaalsContact O-CG 3.24Å; H295-L299 WeakPolarHBondContact O-CG 3.39Å; H295-L299 PolarHBondContact O-N 3.15Å
296	L	87.7	Confident	86.3	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-48.1	177.1	-176.8	62.9	0	0	0	111.9	R159 F160 I163 I292 Y293 L299 T300 A483 L486	R159-L296 HydrophobicContact CB-CD2 4.49Å; F160-L296 HydrophobicContact CB-CD1 4.26Å; I163-L296 HydrophobicContact CD1-CD1 3.73Å; I292-L296 WeakPolarHBondContact O-CB 3.17Å; I292-L296 PolarHBondContact O-N 2.91Å; Y293-L296 WeakPolarHBondContact O-CB 3.45Å; Y293-L296 PolarHBondContact O-N 3.48Å; Y293-L296 VanDerWaalsContact O-N 3.12Å; L296-L299 PolarHBondContact O-N 3.41Å; L296-T300 WeakPolarHBondContact O-CG2 3.46Å; L296-T300 PolarHBondContact O-N 3.47Å; L296-T300 VanDerWaalsContact O-N 3.08Å; L296-T300 PolarHBondContact O-OG1 3.45Å; L296-A483 HydrophobicContact CD2-CB 4.19Å; L296-A483 HydrophobicContact CG-CB 4.13Å; L296-L486 HydrophobicContact CD2-CD1 4.34Å
297	F	88	Confident	85	Confident	70 Å²	70	65 Å²	65	31%	0.307	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-45.8	-179.7	-175.2	-100.5	0	0	0	111.3	Y293 T294 L299 T300 K301	Y293-F297 HydrophobicContact CE1-CB 4.37Å; Y293-F297 WeakPolarHBondContact O-CB 3.27Å; Y293-F297 PolarHBondContact O-N 3.16Å; T294-F297 PolarHBondContact O-N 3.49Å; F297-L299 PolarHBondContact O-N 2.86Å; F297-T300 PolarHBondContact O-N 3.08Å; F297-T300 PolarHBondContact O-OG1 3.4Å; F297-K301 HydrophobicContact CE1-CD 4.32Å; F297-K301 WeakPolarHBondContact O-CB 3.34Å; F297-K301 PolarHBondContact O-N 2.87Å
298	L	88.7	Confident	83.4	Confident	82 Å²	82	66 Å²	66	43%	0.429	32%	0.319	S	S	.	.	H	α-helix	trans	-60.9	-43	176.8	-72.3	174	0	0	0	112.2	T294 K301 Q302	T294-L298 HydrophobicContact CG2-CD1 3.99Å; T294-L298 HydrophobicContact CG2-CG 4.45Å; T294-L298 WeakPolarHBondContact O-CB 3.35Å; T294-L298 VanDerWaalsContact O-CG 3.23Å; T294-L298 WeakPolarHBondContact O-CG 3.33Å; T294-L298 PolarHBondContact O-N 3.36Å; L298-K301 PolarHBondContact O-N 3.02Å; L298-Q302 WeakPolarHBondContact O-CB 3.35Å; L298-Q302 VanDerWaalsContact O-CG 3.23Å; L298-Q302 WeakPolarHBondContact O-CG 3.46Å; L298-Q302 PolarHBondContact O-N 3.33Å
299	L	85.4	Confident	81.6	Confident	39 Å²	39	67.5 Å²	67.5	20%	0.204	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-48.8	176.3	-75.7	175.2	0	0	0	111.5	F160 H295 L296 F297 K301 Q302 H303	F160-L299 HydrophobicContact CD2-CD1 3.87Å; F160-L299 HydrophobicContact CE2-CD1 3.33Å; F160-L299 HydrophobicContact CZ-CD1 4.16Å; H295-L299 WeakPolarHBondContact O-CB 3.42Å; H295-L299 VanDerWaalsContact O-CG 3.24Å; H295-L299 WeakPolarHBondContact O-CG 3.39Å; H295-L299 PolarHBondContact O-N 3.15Å; L296-L299 PolarHBondContact O-N 3.41Å; F297-L299 PolarHBondContact O-N 2.86Å; L299-K301 PolarHBondContact O-N 2.96Å; L299-Q302 PolarHBondContact O-N 3.36Å; L299-H303 PolarHBondContact O-CD2 3.18Å; L299-H303 PolarHBondContact O-N 3.29Å
300	T	84.3	Confident	79.5	Confident	4 Å²	4	74.7 Å²	74.7	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-64.2	-39.9	-179.9	56	0	0	0	0	112.3	I163 L296 F297 H303 I304 A483	I163-T300 HydrophobicContact CD1-CG2 4.1Å; I163-T300 HydrophobicContact CG2-CG2 4.35Å; L296-T300 WeakPolarHBondContact O-CG2 3.46Å; L296-T300 PolarHBondContact O-N 3.47Å; L296-T300 VanDerWaalsContact O-N 3.08Å; L296-T300 PolarHBondContact O-OG1 3.45Å; F297-T300 PolarHBondContact O-N 3.08Å; F297-T300 PolarHBondContact O-OG1 3.4Å; T300-H303 PolarHBondContact O-N 3.26Å; T300-I304 WeakPolarHBondContact O-CG1 3.49Å; T300-I304 PolarHBondContact O-N 2.75Å; T300-A483 HydrophobicContact CG2-CB 4.1Å
301	K	85.3	Confident	77.1	Confident	104 Å²	104	73.3 Å²	73.3	45%	0.452	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-44	174.1	-173.2	174.4	-178.3	177.3	0	112.2	F297 L298 L299 H303 I304 N305	F297-K301 HydrophobicContact CE1-CD 4.32Å; F297-K301 WeakPolarHBondContact O-CB 3.34Å; F297-K301 PolarHBondContact O-N 2.87Å; L298-K301 PolarHBondContact O-N 3.02Å; L299-K301 PolarHBondContact O-N 2.96Å; K301-H303 VanDerWaalsContact C-N 3.32Å; K301-H303 PolarHBondContact O-N 2.95Å; K301-I304 PolarHBondContact O-N 3.09Å; K301-N305 PolarHBondContact O-N 3.39Å
302	Q	82.8	Confident	74.3	Confident	99 Å²	99	71.9 Å²	71.9	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-39.8	175.7	-75.4	175.5	3.4	0	0	112	L298 L299 R306	L298-Q302 WeakPolarHBondContact O-CB 3.35Å; L298-Q302 VanDerWaalsContact O-CG 3.23Å; L298-Q302 WeakPolarHBondContact O-CG 3.46Å; L298-Q302 PolarHBondContact O-N 3.33Å; L299-Q302 PolarHBondContact O-N 3.36Å; Q302-R306 WeakPolarHBondContact O-CG 3.37Å; Q302-R306 PolarHBondContact O-N 2.99Å; Q302-R306 VanDerWaalsContact O-N 3.14Å
303	H	75.3	Confident	71.6	Confident	74 Å²	74	77 Å²	77	34%	0.343	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-41.7	175.6	-77.8	-66.9	0	0	0	112.5	L299 T300 K301 R306 L307 I476	L299-H303 PolarHBondContact O-CD2 3.18Å; L299-H303 PolarHBondContact O-N 3.29Å; T300-H303 PolarHBondContact O-N 3.26Å; K301-H303 VanDerWaalsContact C-N 3.32Å; K301-H303 PolarHBondContact O-N 2.95Å; H303-R306 PolarHBondContact O-N 3.12Å; H303-L307 WeakPolarHBondContact O-CG 3.31Å; H303-L307 PolarHBondContact O-N 3.2Å; H303-I476 HydrophobicContact CB-CG2 4.08Å
304	I	75.4	Confident	69	Low	39 Å²	39	77.9 Å²	77.9	20%	0.2	39%	0.386	C	S	.	.	H	α-helix	trans	-64.4	-47.2	175.7	-69.5	169.2	0	0	0	111.3	T300 K301 R306 L307 N308 I476 H480	T300-I304 WeakPolarHBondContact O-CG1 3.49Å; T300-I304 PolarHBondContact O-N 2.75Å; K301-I304 PolarHBondContact O-N 3.09Å; I304-R306 PolarHBondContact O-N 2.99Å; I304-L307 WeakPolarHBondContact O-CB 3.45Å; I304-L307 PolarHBondContact O-N 2.87Å; I304-N308 PolarHBondContact O-N 3.25Å; I304-N308 VanDerWaalsContact O-N 3.12Å; I304-I476 HydrophobicContact CG1-CG2 3.91Å; I304-H480 HydrophobicContact CD1-CB 3.59Å; I304-H480 VanDerWaalsContact CD1-CD2 3.43Å; I304-H480 WeakPolarHBondContact CD1-CD2 3.34Å
305	N	76.4	Confident	66.2	Low	81 Å²	81	79.3 Å²	79.3	43%	0.433	39%	0.391	S	S	.	.	H	α-helix	trans	-60.3	-35.3	-179.6	-73.4	-0.3	0	0	0	112	K301 N308 I309	K301-N305 PolarHBondContact O-N 3.39Å; N305-N308 PolarHBondContact O-N 2.88Å; N305-I309 WeakPolarHBondContact O-CD1 3.46Å; N305-I309 VanDerWaalsContact O-CG1 3.32Å; N305-I309 WeakPolarHBondContact O-CG1 3.41Å; N305-I309 PolarHBondContact O-N 2.99Å
306	R	68.6	Low	63.5	Low	146 Å²	146	79.7 Å²	79.7	55%	0.551	40%	0.396	S	S	*	.	H	α-helix	trans	-66.7	-35.8	174.9	-74.1	177.8	-176.1	-177.4	3.9	112.6	Q302 H303 I304 F310	Q302-R306 WeakPolarHBondContact O-CG 3.37Å; Q302-R306 PolarHBondContact O-N 2.99Å; Q302-R306 VanDerWaalsContact O-N 3.14Å; H303-R306 PolarHBondContact O-N 3.12Å; I304-R306 PolarHBondContact O-N 2.99Å; R306-F310 WeakPolarHBondContact O-CD2 3.27Å
307	L	65.5	Low	61	Low	39 Å²	39	83.6 Å²	83.6	20%	0.204	42%	0.42	C	S	.	.	H	α-helix	trans	-66.6	-40.7	175.9	-66.5	172.2	0	0	0	111.6	H303 I304 I309 F310 P311 E473 I476	H303-L307 WeakPolarHBondContact O-CG 3.31Å; H303-L307 PolarHBondContact O-N 3.2Å; I304-L307 WeakPolarHBondContact O-CB 3.45Å; I304-L307 PolarHBondContact O-N 2.87Å; L307-I309 PolarHBondContact O-N 3.26Å; L307-F310 PolarHBondContact O-N 3.38Å; L307-P311 WeakPolarHBondContact O-CD 3.46Å; L307-E473 HydrophobicContact CD1-CG 4.26Å; L307-E473 HydrophobicContact CD2-CG 4.25Å; L307-I476 HydrophobicContact CD1-CB 3.85Å; L307-I476 HydrophobicContact CD1-CD1 3.6Å; L307-I476 HydrophobicContact CD1-CG1 4.3Å; L307-I476 HydrophobicContact CD1-CG2 3.7Å; L307-I476 HydrophobicContact CD2-CD1 3.96Å; L307-I476 HydrophobicContact CG-CD1 4.03Å
308	N	60.7	Low	58.4	Low	107 Å²	107	84.6 Å²	84.6	57%	0.572	43%	0.429	S	S	*	.	H	α-helix	trans	-67.6	-18.7	-178.6	-66	-8.8	0	0	0	113.9	I304 N305 P311	I304-N308 PolarHBondContact O-N 3.25Å; I304-N308 VanDerWaalsContact O-N 3.12Å; N305-N308 PolarHBondContact O-N 2.88Å; N308-P311 WeakPolarHBondContact O-CD 3.35Å
309	I	55.2	Low	55.6	Low	100 Å²	100	86.2 Å²	86.2	51%	0.513	44%	0.438	S	S	.	.	H	α-helix	trans	-82.7	-23.9	177.7	-64.6	162.7	0	0	0	112	N305 L307 S312	N305-I309 WeakPolarHBondContact O-CD1 3.46Å; N305-I309 VanDerWaalsContact O-CG1 3.32Å; N305-I309 WeakPolarHBondContact O-CG1 3.41Å; N305-I309 PolarHBondContact O-N 2.99Å; L307-I309 PolarHBondContact O-N 3.26Å; I309-S312 PolarHBondContact O-OG 3.47Å
310	F	44.8	Very low	53.1	Low	154 Å²	154	91.2 Å²	91.2	68%	0.675	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-37.9	179.6	-82.4	-76.2	0	0	0	115.7	R306 L307	R306-F310 WeakPolarHBondContact O-CD2 3.27Å; L307-F310 PolarHBondContact O-N 3.38Å
311	P	42	Very low	50.6	Low	59 Å²	59	94.5 Å²	94.5	38%	0.383	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.9	-178.5	24.9	-31.9	0	0	0	114.5	L307 N308 F313 T314 N315	L307-P311 WeakPolarHBondContact O-CD 3.46Å; N308-P311 WeakPolarHBondContact O-CD 3.35Å; P311-F313 VanDerWaalsContact C-N 3.35Å; P311-T314 PolarHBondContact O-N 2.87Å; P311-T314 PolarHBondContact O-OG1 3.47Å; P311-N315 PolarHBondContact O-N 2.92Å
312	S	33	Very low	48	Very low	57 Å²	57	94.6 Å²	94.6	40%	0.399	50%	0.501	S	S	.	.	H	α-helix	trans	-70.4	-33.3	175.8	63.5	0	0	0	0	112.1	I309 T314 N315 D316	I309-S312 PolarHBondContact O-OG 3.47Å; S312-T314 VanDerWaalsContact C-N 3.26Å; S312-T314 PolarHBondContact O-N 2.67Å; S312-N315 PolarHBondContact O-N 3.38Å; S312-D316 PolarHBondContact O-N 2.81Å
313	F	33.6	Very low	45.3	Very low	135 Å²	135	96.7 Å²	96.7	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-69.6	-19.2	177.6	-92.2	-81.3	0	0	0	114.4	P311 T317	P311-F313 VanDerWaalsContact C-N 3.35Å; F313-T317 WeakPolarHBondContact O-CG2 3.42Å; F313-T317 PolarHBondContact O-OG1 2.96Å
314	T	34.6	Very low	43.2	Very low	76 Å²	76	100.6 Å²	100.6	47%	0.466	53%	0.534	S	S	.	.	H	α-helix	trans	-94	-22.5	179.8	50.1	0	0	0	0	113.4	P311 S312 T317 N318	P311-T314 PolarHBondContact O-N 2.87Å; P311-T314 PolarHBondContact O-OG1 3.47Å; S312-T314 VanDerWaalsContact C-N 3.26Å; S312-T314 PolarHBondContact O-N 2.67Å; T314-T317 WeakPolarHBondContact CA-OG1 3.45Å; T314-T317 PolarHBondContact O-OG1 2.82Å; T314-N318 VanDerWaalsContact O-CG 3.25Å; T314-N318 PolarHBondContact O-ND2 3.29Å; T314-N318 VanDerWaalsContact O-ND2 3.09Å
315	N	32.2	Very low	40.8	Very low	97 Å²	97	108 Å²	108	52%	0.519	57%	0.568	S	S	.	*	H	α-helix	trans	-83.6	-38.8	177.7	-73.1	-5.4	0	0	0	111.2	P311 S312 T317 N318 D319	P311-N315 PolarHBondContact O-N 2.92Å; S312-N315 PolarHBondContact O-N 3.38Å; N315-T317 PolarHBondContact O-N 2.95Å; N315-T317 VanDerWaalsContact O-N 3.17Å; N315-N318 PolarHBondContact O-N 2.64Å; N315-D319 PolarHBondContact O-N 2.76Å
316	D	33.7	Very low	38.5	Very low	110 Å²	110	113 Å²	113	59%	0.588	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-23.6	174.4	-66.2	-18	0	0	0	112.7	S312 L320	S312-D316 PolarHBondContact O-N 2.81Å; D316-L320 WeakPolarHBondContact O-CD1 3.24Å
317	T	35.6	Very low	36.5	Very low	83 Å²	83	111.9 Å²	111.9	51%	0.509	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-19.2	175	50.5	0	0	0	0	114	F313 T314 N315	F313-T317 WeakPolarHBondContact O-CG2 3.42Å; F313-T317 PolarHBondContact O-OG1 2.96Å; T314-T317 WeakPolarHBondContact CA-OG1 3.45Å; T314-T317 PolarHBondContact O-OG1 2.82Å; N315-T317 PolarHBondContact O-N 2.95Å; N315-T317 VanDerWaalsContact O-N 3.17Å
318	N	32.4	Very low	34.6	Very low	91 Å²	91	117.4 Å²	117.4	49%	0.487	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.4	-28.8	-178.5	-69.7	-18.7	0	0	0	111.9	T314 N315 L320 A321 T322	T314-N318 VanDerWaalsContact O-CG 3.25Å; T314-N318 PolarHBondContact O-ND2 3.29Å; T314-N318 VanDerWaalsContact O-ND2 3.09Å; N315-N318 PolarHBondContact O-N 2.64Å; N318-L320 VanDerWaalsContact C-N 3.26Å; N318-L320 PolarHBondContact O-N 3.44Å; N318-A321 PolarHBondContact O-N 2.99Å; N318-T322 PolarHBondContact O-OG1 3.09Å
319	D	31.8	Very low	33.1	Very low	117 Å²	117	119.7 Å²	119.7	63%	0.626	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-14.1	174.3	-69.2	-23.8	0	0	0	113.2	N315	N315-D319 PolarHBondContact O-N 2.76Å
320	L	32.3	Very low	31.9	Very low	144 Å²	144	118.7 Å²	118.7	75%	0.754	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-14.1	169.5	-81.4	159.1	0	0	0	113	D316 N318	D316-L320 WeakPolarHBondContact O-CD1 3.24Å; N318-L320 VanDerWaalsContact C-N 3.26Å; N318-L320 PolarHBondContact O-N 3.44Å
321	A	31.3	Very low	31.1	Very low	73 Å²	73	118.8 Å²	118.8	60%	0.603	64%	0.636	S	S	*	*	S	Bend	trans	-99.4	-5.9	-175.6	0	0	0	0	0	113.7	N318	N318-A321 PolarHBondContact O-N 2.99Å
322	T	29.8	Very low	30.4	Very low	106 Å²	106	124.5 Å²	124.5	65%	0.65	66%	0.655	S	S	*	*	S	Bend	trans	-101.3	1.9	-173.7	44.7	0	0	0	0	114.7	N318	N318-T322 PolarHBondContact O-OG1 3.09Å
323	N	28	Very low	30.2	Very low	143 Å²	143	127.5 Å²	127.5	77%	0.765	66%	0.663	S	S	*	*	S	Bend	trans	-112.8	8.3	-179	-83.6	-23.4	0	0	0	115.6
324	E	29.6	Very low	29.9	Very low	155 Å²	155	126.1 Å²	126.1	72%	0.724	66%	0.661	S	S	*	*			trans	-104.7	77.7	178.3	-73.7	-171.5	161.6	0	0	111.9
325	Q	26.4	Very low	29.6	Very low	194 Å²	194	128.7 Å²	128.7	91%	0.907	67%	0.67	S	S	*	*			trans	-107.5	20.4	169.1	-139.3	174.3	5.1	0	0	112.5
326	F	27	Very low	29.2	Very low	187 Å²	187	132.6 Å²	132.6	82%	0.82	68%	0.679	S	S	*	*			trans	-117.4	107.6	-172.8	-108.3	-92.6	0	0	0	113.9
327	N	26.6	Very low	28.9	Very low	123 Å²	123	137 Å²	137	66%	0.658	69%	0.693	S	S	*	*			trans	62.7	104	146.5	-80.8	-17.3	0	0	0	120.3	N329	N327-N329 PolarHBondContact O-N 2.82Å
328	N	26.8	Very low	28.5	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-38	99.6	140.7	-80.1	-25.2	0	0	0	111.2
329	N	29.3	Very low	28.2	Very low	155 Å²	155	142.4 Å²	142.4	83%	0.829	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	173	-0.5	152.1	-89.7	-16.3	0	0	0	112.6	N327	N327-N329 PolarHBondContact O-N 2.82Å
330	N	28.2	Very low	27.9	Very low	78 Å²	78	144.1 Å²	144.1	42%	0.417	73%	0.727	S	S	.	*			trans	-112.8	39.6	-172.9	-75	-16.2	0	0	0	114.9	K332 Q333	N330-K332 PolarHBondContact O-N 3.4Å; N330-Q333 HydrophobicContact CB-CB 4.19Å; N330-Q333 VanDerWaalsContact CG-OE1 3.28Å; N330-Q333 PolarHBondContact ND2-OE1 3.3Å; N330-Q333 PolarHBondContact O-N 3.4Å
331	N	28.2	Very low	27.7	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	8.7	173.3	-78.2	-12.2	0	0	0	114.9
332	K	28.9	Very low	27.8	Very low	180 Å²	180	141.8 Å²	141.8	78%	0.783	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	-3.6	170.8	-79.2	-177.5	174.6	177.7	0	114.8	N330	N330-K332 PolarHBondContact O-N 3.4Å
333	Q	28	Very low	27.9	Very low	119 Å²	119	142.5 Å²	142.5	56%	0.556	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-17.6	-179.3	-70.1	179	-11.3	0	0	114.3	N330 I335 Y336	N330-Q333 HydrophobicContact CB-CB 4.19Å; N330-Q333 VanDerWaalsContact CG-OE1 3.28Å; N330-Q333 PolarHBondContact ND2-OE1 3.3Å; N330-Q333 PolarHBondContact O-N 3.4Å; Q333-I335 PolarHBondContact O-N 2.95Å; Q333-Y336 PolarHBondContact O-N 3.43Å; Q333-Y336 VanDerWaalsContact O-N 3.12Å
334	I	27.4	Very low	28	Very low	107 Å²	107	141.8 Å²	141.8	55%	0.549	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.2	-15	176.1	-60.5	175.5	0	0	0	111.8	Y336	I334-Y336 VanDerWaalsContact C-N 3.32Å
335	I	27.2	Very low	28.1	Very low	130 Å²	130	137.5 Å²	137.5	67%	0.667	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-11.5	171.1	-67.2	176	0	0	0	112.1	Q333	Q333-I335 PolarHBondContact O-N 2.95Å
336	Y	25.3	Very low	28.5	Very low	179 Å²	179	135.2 Å²	135.2	70%	0.702	68%	0.683	S	S	*	*	S	Bend	trans	-88.9	-9.7	-175.2	-98.1	-84.8	0	0	0	116.4	Q333 I334	Q333-Y336 PolarHBondContact O-N 3.43Å; Q333-Y336 VanDerWaalsContact O-N 3.12Å; I334-Y336 VanDerWaalsContact C-N 3.32Å
337	F	27.1	Very low	28.9	Very low	202 Å²	202	133.4 Å²	133.4	89%	0.886	68%	0.675	S	S	*	*	S	Bend	trans	-95.7	-5.9	174.8	-95.9	-84	0	0	0	114.2
338	L	27	Very low	29.2	Very low	151 Å²	151	130.8 Å²	130.8	79%	0.791	66%	0.66	S	S	*	*	S	Bend	trans	-98.1	-2.2	-178.5	-78.6	163.8	0	0	0	114.1
339	D	26	Very low	29.6	Very low	136 Å²	136	130.7 Å²	130.7	73%	0.727	65%	0.652	S	S	*	*	S	Bend	trans	-112.6	4.1	-171.4	-144.5	16.8	0	0	0	115.3
340	N	25.8	Very low	29.9	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	64%	0.644	S	S	*	*	S	Bend	trans	-126.7	55.3	-177.7	-89.9	-20.8	0	0	0	113.8
341	S	28.1	Very low	30.4	Very low	71 Å²	71	130.7 Å²	130.7	50%	0.497	64%	0.644	S	S	.	*			trans	-154.6	106	145.2	90.6	0	0	0	0	111.7	N343 F344	S341-N343 PolarHBondContact O-N 3.4Å; S341-F344 PolarHBondContact O-N 3.31Å; S341-F344 VanDerWaalsContact O-N 3.1Å; S341-F344 WeakPolarHBondContact OG-CB 3.49Å; S341-F344 PolarHBondContact OG-N 2.94Å
342	S	32.1	Very low	30.7	Very low	98 Å²	98	129.1 Å²	129.1	69%	0.685	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-3.5	175.7	55.8	0	0	0	0	114.3
343	N	31.9	Very low	30.8	Very low	121 Å²	121	128.5 Å²	128.5	65%	0.647	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-24.1	176.3	-83	-27.7	0	0	0	114.6	S341 K347	S341-N343 PolarHBondContact O-N 3.4Å; N343-K347 PolarHBondContact O-N 3.37Å
344	F	31.9	Very low	31.4	Very low	128 Å²	128	127.3 Å²	127.3	56%	0.561	62%	0.624	S	S	*	*	H	α-helix	trans	-80.9	-36.7	-176.9	-163.2	-109.3	0	0	0	112.6	S341 K346 K347 L348	S341-F344 PolarHBondContact O-N 3.31Å; S341-F344 VanDerWaalsContact O-N 3.1Å; S341-F344 WeakPolarHBondContact OG-CB 3.49Å; S341-F344 PolarHBondContact OG-N 2.94Å; F344-K346 VanDerWaalsContact C-N 3.28Å; F344-K346 PolarHBondContact O-N 3.45Å; F344-K347 PolarHBondContact O-N 2.98Å; F344-K347 VanDerWaalsContact O-N 3.14Å; F344-L348 HydrophobicContact CD1-CD1 3.7Å; F344-L348 HydrophobicContact CE1-CD1 3.23Å; F344-L348 HydrophobicContact CE2-CD1 4.22Å; F344-L348 HydrophobicContact CG-CD1 4.37Å; F344-L348 HydrophobicContact CZ-CD1 3.52Å; F344-L348 PolarHBondContact O-N 3.06Å
345	S	31.8	Very low	31.7	Very low	64 Å²	64	129.3 Å²	129.3	45%	0.448	63%	0.629	S	S	.	*	H	α-helix	trans	-65.8	-30.8	175.1	97.6	0	0	0	0	112.4	K349	S345-K349 WeakPolarHBondContact O-CB 3.04Å; S345-K349 WeakPolarHBondContact O-CG 3.3Å; S345-K349 PolarHBondContact O-N 2.91Å
346	K	34.7	Very low	32	Very low	147 Å²	147	127.8 Å²	127.8	64%	0.639	62%	0.622	S	S	*	*	H	α-helix	trans	-69.7	-38.8	172.2	-73.5	179.4	-178.7	171.1	0	112	F344 K350	F344-K346 VanDerWaalsContact C-N 3.28Å; F344-K346 PolarHBondContact O-N 3.45Å; K346-K350 WeakPolarHBondContact O-CB 3.5Å; K346-K350 PolarHBondContact O-N 2.86Å; K346-K350 VanDerWaalsContact O-N 3.13Å
347	K	34.8	Very low	32.4	Very low	148 Å²	148	125.4 Å²	125.4	64%	0.643	62%	0.616	S	S	*	*	H	α-helix	trans	-71.3	-42.5	178.2	-128.7	172.6	-177.9	179.4	0	111.7	N343 F344 K350 I351	N343-K347 PolarHBondContact O-N 3.37Å; F344-K347 PolarHBondContact O-N 2.98Å; F344-K347 VanDerWaalsContact O-N 3.14Å; K347-K350 WeakPolarHBondContact O-CB 3.38Å; K347-K350 PolarHBondContact O-N 3.28Å; K347-I351 WeakPolarHBondContact O-CG1 2.93Å; K347-I351 PolarHBondContact O-N 2.78Å
348	L	33.5	Very low	32.7	Very low	69 Å²	69	121.7 Å²	121.7	36%	0.361	60%	0.6	S	S	.	*	H	α-helix	trans	-69.3	-40.6	175.6	-115.4	102.1	0	0	0	112.8	F344 K350 I351 F352	F344-L348 HydrophobicContact CD1-CD1 3.7Å; F344-L348 HydrophobicContact CE1-CD1 3.23Å; F344-L348 HydrophobicContact CE2-CD1 4.22Å; F344-L348 HydrophobicContact CG-CD1 4.37Å; F344-L348 HydrophobicContact CZ-CD1 3.52Å; F344-L348 PolarHBondContact O-N 3.06Å; L348-K350 PolarHBondContact O-N 2.75Å; L348-I351 PolarHBondContact O-N 3.15Å; L348-F352 HydrophobicContact CD2-CD2 4.23Å; L348-F352 HydrophobicContact CD2-CE2 3.93Å; L348-F352 WeakPolarHBondContact O-CD2 3.4Å; L348-F352 PolarHBondContact O-N 2.94Å
349	K	34.8	Very low	33.1	Very low	152 Å²	152	119.8 Å²	119.8	66%	0.661	59%	0.589	S	S	*	*	H	α-helix	trans	-62.8	-30.9	172.7	-77.7	176	178.4	177.1	0	112	S345 K353	S345-K349 WeakPolarHBondContact O-CB 3.04Å; S345-K349 WeakPolarHBondContact O-CG 3.3Å; S345-K349 PolarHBondContact O-N 2.91Å; K349-K353 WeakPolarHBondContact O-CB 3.26Å; K349-K353 PolarHBondContact O-N 3.49Å
350	K	35.8	Very low	33.4	Very low	150 Å²	150	118.2 Å²	118.2	65%	0.652	58%	0.581	S	S	*	*	H	α-helix	trans	-68.4	-43.2	172.1	-127.5	174.3	-178.6	177.8	0	111.7	K346 K347 L348 K353 I354	K346-K350 WeakPolarHBondContact O-CB 3.5Å; K346-K350 PolarHBondContact O-N 2.86Å; K346-K350 VanDerWaalsContact O-N 3.13Å; K347-K350 WeakPolarHBondContact O-CB 3.38Å; K347-K350 PolarHBondContact O-N 3.28Å; L348-K350 PolarHBondContact O-N 2.75Å; K350-K353 PolarHBondContact O-N 3.47Å; K350-I354 WeakPolarHBondContact O-CD1 3.49Å; K350-I354 VanDerWaalsContact O-CG1 3.26Å; K350-I354 WeakPolarHBondContact O-CG1 3.3Å; K350-I354 PolarHBondContact O-N 2.96Å
351	I	38.1	Very low	33.7	Very low	83 Å²	83	117.4 Å²	117.4	43%	0.426	57%	0.567	S	S	.	*	H	α-helix	trans	-69.1	-40.8	179	-68.1	165.1	0	0	0	111.5	K347 L348 I354 K355	K347-I351 WeakPolarHBondContact O-CG1 2.93Å; K347-I351 PolarHBondContact O-N 2.78Å; L348-I351 PolarHBondContact O-N 3.15Å; I351-I354 PolarHBondContact O-N 3.24Å; I351-K355 PolarHBondContact O-N 3.02Å
352	F	34.3	Very low	34.1	Very low	123 Å²	123	120.4 Å²	120.4	54%	0.539	57%	0.573	S	S	.	*	H	α-helix	trans	-68.3	-33.7	173.3	-90.8	-83.5	0	0	0	112.6	L348 I354 K355 N356	L348-F352 HydrophobicContact CD2-CD2 4.23Å; L348-F352 HydrophobicContact CD2-CE2 3.93Å; L348-F352 WeakPolarHBondContact O-CD2 3.4Å; L348-F352 PolarHBondContact O-N 2.94Å; F352-I354 VanDerWaalsContact C-N 3.33Å; F352-K355 PolarHBondContact O-N 2.84Å; F352-N356 WeakPolarHBondContact O-CB 3.49Å; F352-N356 PolarHBondContact O-N 3.38Å
353	K	32.4	Very low	34.1	Very low	167 Å²	167	120.2 Å²	120.2	73%	0.726	56%	0.564	S	S	*	*	H	α-helix	trans	-61.8	-39.1	168.6	-103.4	-178.8	174.1	178.4	0	112.1	K349 K350 F357	K349-K353 WeakPolarHBondContact O-CB 3.26Å; K349-K353 PolarHBondContact O-N 3.49Å; K350-K353 PolarHBondContact O-N 3.47Å; K353-F357 WeakPolarHBondContact O-CB 3.05Å; K353-F357 PolarHBondContact O-N 3.27Å
354	I	39.9	Very low	34	Very low	95 Å²	95	122 Å²	122	49%	0.487	57%	0.566	S	S	.	*	H	α-helix	trans	-71.5	-38.8	178	-67	161.3	0	0	0	111	K350 I351 F352 F357 F358	K350-I354 WeakPolarHBondContact O-CD1 3.49Å; K350-I354 VanDerWaalsContact O-CG1 3.26Å; K350-I354 WeakPolarHBondContact O-CG1 3.3Å; K350-I354 PolarHBondContact O-N 2.96Å; I351-I354 PolarHBondContact O-N 3.24Å; F352-I354 VanDerWaalsContact C-N 3.33Å; I354-F357 WeakPolarHBondContact O-CB 3.49Å; I354-F357 PolarHBondContact O-N 2.88Å; I354-F358 HydrophobicContact CG2-CD2 4.04Å; I354-F358 HydrophobicContact CG2-CE2 4.13Å; I354-F358 WeakPolarHBondContact O-CD2 3.34Å; I354-F358 PolarHBondContact O-N 3.43Å
355	K	34.1	Very low	34.1	Very low	149 Å²	149	120.6 Å²	120.6	65%	0.648	56%	0.564	S	S	*	*	H	α-helix	trans	-68.1	-39.9	177.3	-146.7	175	-176.5	-179.6	0	112	I351 F352 L359	I351-K355 PolarHBondContact O-N 3.02Å; F352-K355 PolarHBondContact O-N 2.84Å; K355-L359 WeakPolarHBondContact O-CB 3.18Å; K355-L359 PolarHBondContact O-N 3.4Å; K355-L359 VanDerWaalsContact O-N 3.1Å
356	N	32.8	Very low	34	Very low	97 Å²	97	121.8 Å²	121.8	52%	0.519	57%	0.573	S	S	.	*	H	α-helix	trans	-72.5	-28.4	170.6	-95.1	-3.9	0	0	0	113.1	F352 N360	F352-N356 WeakPolarHBondContact O-CB 3.49Å; F352-N356 PolarHBondContact O-N 3.38Å; N356-N360 VanDerWaalsContact O-CB 3.23Å; N356-N360 WeakPolarHBondContact O-CB 3.42Å; N356-N360 PolarHBondContact O-N 3.27Å
357	F	33.4	Very low	33.6	Very low	130 Å²	130	121.3 Å²	121.3	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-66.4	-43.4	172.9	-171.9	-96.8	0	0	0	110.8	K353 I354 Y361	K353-F357 WeakPolarHBondContact O-CB 3.05Å; K353-F357 PolarHBondContact O-N 3.27Å; I354-F357 WeakPolarHBondContact O-CB 3.49Å; I354-F357 PolarHBondContact O-N 2.88Å; F357-Y361 HydrophobicContact CE1-CD2 4.25Å; F357-Y361 HydrophobicContact CZ-CD2 4.23Å; F357-Y361 WeakPolarHBondContact O-CA 3.33Å; F357-Y361 WeakPolarHBondContact O-CB 3.3Å; F357-Y361 PolarHBondContact O-N 2.99Å
358	F	34.1	Very low	33.2	Very low	124 Å²	124	118.9 Å²	118.9	54%	0.544	57%	0.574	S	S	.	*	H	α-helix	trans	-69.6	-35.4	175.7	-87.3	-80.7	0	0	0	113.3	I354 H362	I354-F358 HydrophobicContact CG2-CD2 4.04Å; I354-F358 HydrophobicContact CG2-CE2 4.13Å; I354-F358 WeakPolarHBondContact O-CD2 3.34Å; I354-F358 PolarHBondContact O-N 3.43Å; F358-H362 WeakPolarHBondContact O-CB 3.19Å; F358-H362 PolarHBondContact O-N 2.99Å; F358-H362 VanDerWaalsContact O-N 3.1Å
359	L	34.6	Very low	32.9	Very low	110 Å²	110	120.6 Å²	120.6	58%	0.576	59%	0.588	S	S	*	*	H	α-helix	trans	-70	-43.4	175.7	-149.5	77.6	0	0	0	111.5	K355 L363	K355-L359 WeakPolarHBondContact O-CB 3.18Å; K355-L359 PolarHBondContact O-N 3.4Å; K355-L359 VanDerWaalsContact O-N 3.1Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 2.86Å; L359-L363 VanDerWaalsContact O-N 3.11Å
360	N	31.7	Very low	32.6	Very low	103 Å²	103	119.6 Å²	119.6	55%	0.551	60%	0.595	S	S	*	*	H	α-helix	trans	-72	-31.2	174.3	-86.1	-26.3	0	0	0	112.9	N356 K364	N356-N360 VanDerWaalsContact O-CB 3.23Å; N356-N360 WeakPolarHBondContact O-CB 3.42Å; N356-N360 PolarHBondContact O-N 3.27Å; N360-K364 WeakPolarHBondContact O-CA 3.46Å; N360-K364 WeakPolarHBondContact O-CB 3.31Å; N360-K364 PolarHBondContact O-N 2.72Å
361	Y	32.7	Very low	32.2	Very low	136 Å²	136	117.1 Å²	117.1	53%	0.533	60%	0.596	S	S	.	*	H	α-helix	trans	-73.5	-29	177.9	-162.9	-95.1	0	0	0	112	F357 N365	F357-Y361 HydrophobicContact CE1-CD2 4.25Å; F357-Y361 HydrophobicContact CZ-CD2 4.23Å; F357-Y361 WeakPolarHBondContact O-CA 3.33Å; F357-Y361 WeakPolarHBondContact O-CB 3.3Å; F357-Y361 PolarHBondContact O-N 2.99Å; Y361-N365 WeakPolarHBondContact CE1-ND2 3.24Å; Y361-N365 WeakPolarHBondContact O-CB 3.07Å; Y361-N365 PolarHBondContact O-N 3.09Å
362	H	36.1	Very low	31.6	Very low	135 Å²	135	120.4 Å²	120.4	63%	0.625	61%	0.613	S	S	*	*	H	α-helix	trans	-80.2	-32	173	-110.6	-68	0	0	0	113.7	F358	F358-H362 WeakPolarHBondContact O-CB 3.19Å; F358-H362 PolarHBondContact O-N 2.99Å; F358-H362 VanDerWaalsContact O-N 3.1Å
363	L	32.2	Very low	31.2	Very low	94 Å²	94	121.5 Å²	121.5	49%	0.492	62%	0.624	S	S	.	*	H	α-helix	trans	-77.2	-36.9	172.9	-95	141.4	0	0	0	112.6	L359 N365 S366	L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 2.86Å; L359-L363 VanDerWaalsContact O-N 3.11Å; L363-N365 PolarHBondContact O-N 3.47Å; L363-S366 PolarHBondContact O-N 3.09Å; L363-S366 PolarHBondContact O-OG 3.28Å
364	K	30.5	Very low	31.1	Very low	158 Å²	158	119.6 Å²	119.6	69%	0.687	63%	0.627	S	S	*	*	H	α-helix	trans	-79.4	-16.4	-176.5	-159.2	170.3	-172.8	-179.5	0	113.8	N360 T368	N360-K364 WeakPolarHBondContact O-CA 3.46Å; N360-K364 WeakPolarHBondContact O-CB 3.31Å; N360-K364 PolarHBondContact O-N 2.72Å; K364-T368 WeakPolarHBondContact O-CG2 3.32Å
365	N	32.9	Very low	30.5	Very low	98 Å²	98	123.3 Å²	123.3	52%	0.524	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-0.3	172.8	-79.8	-23.1	0	0	0	114.3	Y361 L363	Y361-N365 WeakPolarHBondContact CE1-ND2 3.24Å; Y361-N365 WeakPolarHBondContact O-CB 3.07Å; Y361-N365 PolarHBondContact O-N 3.09Å; L363-N365 PolarHBondContact O-N 3.47Å
366	S	30.7	Very low	30.3	Very low	90 Å²	90	124.9 Å²	124.9	63%	0.629	65%	0.653	S	S	*	*	S	Bend	trans	-101.2	-2.3	167.4	81.5	0	0	0	0	113.3	L363	L363-S366 PolarHBondContact O-N 3.09Å; L363-S366 PolarHBondContact O-OG 3.28Å
367	L	27.2	Very low	30.2	Very low	136 Å²	136	126.2 Å²	126.2	71%	0.712	66%	0.659	S	S	*	*	S	Bend	trans	-112	9.7	-178.5	-88.5	154.6	0	0	0	113.3
368	T	26.4	Very low	30	Very low	97 Å²	97	125.9 Å²	125.9	60%	0.595	67%	0.672	S	S	*	*	S	Bend	trans	-114.6	42.6	-176.9	49.7	0	0	0	0	112.6	K364	K364-T368 WeakPolarHBondContact O-CG2 3.32Å
369	T	26.6	Very low	29.8	Very low	106 Å²	106	124 Å²	124	65%	0.65	68%	0.675	S	S	*	*	S	Bend	trans	-153.1	123.7	156.9	53.3	0	0	0	0	107.2
370	T	28.6	Very low	29.7	Very low	131 Å²	131	124.7 Å²	124.7	80%	0.804	68%	0.675	S	S	*	*	S	Bend	trans	98.4	91.2	-178.1	76.2	0	0	0	0	115.9
371	S	27.4	Very low	29.5	Very low	98 Å²	98	127.4 Å²	127.4	69%	0.685	69%	0.689	S	S	*	*				44.3	112.7	127.4	56	0	0	0	0	119
372	I	25.6	Very low	29.2	Very low	151 Å²	151	126 Å²	126	77%	0.774	70%	0.699	S	S	*	*				49.7	124.3	124.3	-56.3	166.5	0	0	0	116.1
373	D	25.9	Very low	28.8	Very low	146 Å²	146	127.2 Å²	127.2	78%	0.781	70%	0.702	S	S	*	*			trans	96.9	68.8	168.1	-53.9	-29.7	0	0	0	119.4
374	T	29.8	Very low	28.7	Very low	127 Å²	127	130.3 Å²	130.3	78%	0.779	72%	0.718	S	S	*	*			trans	-146	70.9	153	57.7	0	0	0	0	112.1
375	I	27.8	Very low	28.4	Very low	174 Å²	174	132.2 Å²	132.2	89%	0.892	73%	0.726	S	S	*	*	S	Bend	trans	-115.1	4.4	168.5	-76.2	178	0	0	0	112.6
376	K	30.3	Very low	28	Very low	181 Å²	181	135.8 Å²	135.8	79%	0.787	74%	0.74	S	S	*	*	S	Bend	trans	-130.6	21.4	-167	-114.8	177.8	-179	179.9	0	117.9
377	I	30.4	Very low	27.9	Very low	126 Å²	126	139 Å²	139	65%	0.646	75%	0.749	S	S	*	*			trans	-121.1	46	-172.4	-48.6	169.7	0	0	0	112.7	L381	I377-L381 HydrophobicContact CG2-CD1 4.26Å
378	S	28.7	Very low	27.7	Very low	122 Å²	122	140 Å²	140	85%	0.853	76%	0.755	S	S	*	*	S	Bend	trans	-119.3	0.5	168.5	55.8	0	0	0	0	114.1
379	S	29.3	Very low	27.7	Very low	86 Å²	86	145.1 Å²	145.1	60%	0.601	77%	0.765	S	S	*	*	S	Bend	trans	-122.9	0.3	-172.8	62.3	0	0	0	0	116.8
380	E	32.6	Very low	27.5	Very low	124 Å²	124	146.7 Å²	146.7	58%	0.579	78%	0.775	S	S	*	*	S	Bend	trans	-117.6	-1.4	-171.4	-80.8	-74.4	145.2	0	0	114.7	S382	E380-S382 PolarHBondContact O-N 3.01Å
381	L	28.5	Very low	27.3	Very low	160 Å²	160	146 Å²	146	84%	0.838	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	10.4	-174.5	-105.6	126.9	0	0	0	115.3	I377	I377-L381 HydrophobicContact CG2-CD1 4.26Å
382	S	26.7	Very low	27.2	Very low	106 Å²	106	148.9 Å²	148.9	74%	0.741	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-1.6	179.5	57.5	0	0	0	0	115	E380	E380-S382 PolarHBondContact O-N 3.01Å
383	K	27.5	Very low	27	Very low	160 Å²	160	153.3 Å²	153.3	70%	0.696	79%	0.786	S	S	*	*	S	Bend	trans	-115.3	-4.6	-165.5	-81	-175.7	178.8	175.1	0	119.5
384	I	29.5	Very low	27	Very low	160 Å²	160	155.8 Å²	155.8	82%	0.821	79%	0.79	S	S	*	*			trans	-123.8	82	-169.5	-51.5	-179.5	0	0	0	111.9
385	K	24	Very low	26.7	Very low	197 Å²	197	154.8 Å²	154.8	86%	0.857	78%	0.779	S	S	*	*			trans	-86.6	143.4	151	-84.3	178.9	174.7	176.4	0	107.6
386	Q	25.4	Very low	26.5	Very low	173 Å²	173	154.1 Å²	154.1	81%	0.808	78%	0.777	S	S	*	*			trans	101.8	139.7	165.7	-58.5	178.5	-18.3	0	0	118
387	L	26.7	Very low	26.3	Very low	157 Å²	157	151.5 Å²	151.5	82%	0.822	77%	0.771	S	S	*	*			trans	94.9	86.6	166	-71.8	116.5	0	0	0	120.6
388	N	24.6	Very low	26	Very low	159 Å²	159	155.2 Å²	155.2	85%	0.85	78%	0.782	S	S	*	*				34.7	134.6	120	-70.5	-6.9	0	0	0	122.8
389	Y	24.9	Very low	26.2	Very low	204 Å²	204	152.9 Å²	152.9	80%	0.8	77%	0.766	S	S	*	*			trans	-82.8	145.3	-171.9	-73.8	-97.2	0	0	0	116.1
390	T	23.6	Very low	26.1	Very low	139 Å²	139	157.4 Å²	157.4	85%	0.853	78%	0.775	S	S	*	*			trans	-146.8	155.9	139.3	40.2	0	0	0	0	109.4
391	P	24.8	Very low	26.1	Very low	116 Å²	116	158.1 Å²	158.1	75%	0.753	78%	0.782	S	S	*	*				-105.6	132	-129.2	36.4	-32.3	0	0	0	116.2
392	L	23.7	Very low	26.2	Very low	159 Å²	159	157.7 Å²	157.7	83%	0.832	78%	0.776	S	S	*	*			trans	-126.2	103.7	162	-88.1	157.9	0	0	0	109.8
393	R	22.8	Very low	26.3	Very low	243 Å²	243	159.7 Å²	159.7	92%	0.917	77%	0.769	S	S	*	*	S	Bend	trans	19.8	93.9	156.8	-119.7	169.4	178.8	170.7	-0.3	117.7
394	F	24.9	Very low	26.4	Very low	198 Å²	198	158.4 Å²	158.4	87%	0.868	77%	0.768	S	S	*	*			trans	33.5	87.5	159.1	-73.2	-82	0	0	0	117.3
395	I	24.6	Very low	26.4	Very low	106 Å²	106	156.5 Å²	156.5	54%	0.544	76%	0.759	S	S	.	*			cis	88.2	107.7	41.8	-55.2	168	0	0	0	114.3
396	N	23.5	Very low	26.7	Very low	160 Å²	160	153.8 Å²	153.8	86%	0.856	75%	0.749	S	S	*	*			trans	-46.6	124.4	160.8	-93.5	-35.6	0	0	0	112.5	K398	N396-K398 PolarHBondContact O-N 3.22Å
397	I	26.2	Very low	26.8	Very low	127 Å²	127	150.3 Å²	150.3	65%	0.651	73%	0.734	S	S	*	*			trans	-82.6	99.8	172.9	-60.7	174.8	0	0	0	109.5	Y403	I397-Y403 HydrophobicContact CD1-CE2 4.33Å; I397-Y403 HydrophobicContact CG2-CE2 4.01Å
398	K	24.2	Very low	26.9	Very low	204 Å²	204	147.6 Å²	147.6	89%	0.887	72%	0.72	S	S	*	*			trans	-108.4	99.4	160.2	-122.2	-174.7	-177.2	179.8	0	106.7	N396	N396-K398 PolarHBondContact O-N 3.22Å
399	S	31.2	Very low	27.2	Very low	73 Å²	73	147.1 Å²	147.1	51%	0.51	71%	0.711	S	S	.	*			trans	176	133.7	142.8	73.7	0	0	0	0	108.9	N401	S399-N401 PolarHBondContact O-N 3.05Å
400	K	29.1	Very low	27.6	Very low	181 Å²	181	141.2 Å²	141.2	79%	0.787	70%	0.695	S	S	*	*	S	Bend	trans	-89.3	1.4	-163.4	-143.2	175.2	178.9	-172.6	0	113.6
401	N	31.7	Very low	28	Very low	138 Å²	138	138.9 Å²	138.9	74%	0.738	68%	0.677	S	S	*	*	S	Bend	trans	-116.2	-9.3	-166.3	-75.6	-1	0	0	0	116.2	S399	S399-N401 PolarHBondContact O-N 3.05Å
402	E	30.7	Very low	28.4	Very low	151 Å²	151	139.5 Å²	139.5	71%	0.706	67%	0.674	S	S	*	*	S	Bend	trans	-95.2	-14.1	175.8	-78.4	-176.5	143.3	0	0	114.1	L404	E402-L404 VanDerWaalsContact C-N 3.29Å; E402-L404 PolarHBondContact O-N 3.16Å
403	Y	28.7	Very low	28.6	Very low	149 Å²	149	141.6 Å²	141.6	58%	0.584	67%	0.671	S	S	*	*	H	α-helix	trans	-70.9	-23.8	177.6	-103.9	-94.5	0	0	0	113.6	I397 M407	I397-Y403 HydrophobicContact CD1-CE2 4.33Å; I397-Y403 HydrophobicContact CG2-CE2 4.01Å; Y403-M407 WeakPolarHBondContact O-CB 3.3Å; Y403-M407 VanDerWaalsContact O-CG 3.3Å; Y403-M407 WeakPolarHBondContact O-CG 3.46Å; Y403-M407 PolarHBondContact O-N 3.12Å
404	L	28.8	Very low	29.1	Very low	132 Å²	132	133.7 Å²	133.7	69%	0.691	65%	0.653	S	S	*	*	H	α-helix	trans	-78	-26.3	-175.9	-133.9	124.8	0	0	0	112.4	E402	E402-L404 VanDerWaalsContact C-N 3.29Å; E402-L404 PolarHBondContact O-N 3.16Å
405	I	30.3	Very low	29.4	Very low	120 Å²	120	133.1 Å²	133.1	62%	0.615	65%	0.65	S	S	*	*	H	α-helix	trans	-83	-30	179.7	-62.1	173.1	0	0	0	111.3
406	H	29.6	Very low	29.6	Very low	141 Å²	141	135.4 Å²	135.4	65%	0.653	66%	0.662	S	S	*	*	H	α-helix	trans	-83.3	-30.1	178.9	-139.3	-60.8	0	0	0	113.2	T410	H406-T410 PolarHBondContact O-N 3.1Å; H406-T410 PolarHBondContact O-OG1 3.13Å
407	M	29	Very low	29.8	Very low	99 Å²	99	133.7 Å²	133.7	49%	0.488	65%	0.65	S	S	.	*	H	α-helix	trans	-69.7	-38.3	174.8	-77.2	-88	-92	0	0	112	Y403 K409 T410 I411	Y403-M407 WeakPolarHBondContact O-CB 3.3Å; Y403-M407 VanDerWaalsContact O-CG 3.3Å; Y403-M407 WeakPolarHBondContact O-CG 3.46Å; Y403-M407 PolarHBondContact O-N 3.12Å; M407-K409 VanDerWaalsContact C-N 3.31Å; M407-K409 PolarHBondContact O-N 3.25Å; M407-T410 WeakPolarHBondContact CA-OG1 3.4Å; M407-T410 PolarHBondContact O-N 3.14Å; M407-T410 PolarHBondContact O-OG1 3.48Å; M407-T410 VanDerWaalsContact O-OG1 3.09Å; M407-I411 WeakPolarHBondContact O-CB 3.44Å; M407-I411 WeakPolarHBondContact O-CD1 3.48Å; M407-I411 VanDerWaalsContact O-CG1 3.26Å; M407-I411 WeakPolarHBondContact O-CG1 3.21Å; M407-I411 PolarHBondContact O-N 3.17Å
408	N	28.7	Very low	29.9	Very low	100 Å²	100	131.9 Å²	131.9	54%	0.535	65%	0.649	S	S	.	*	H	α-helix	trans	-67.8	-29.9	177.5	-125.9	1.1	0	0	0	112.6	N412	N408-N412 PolarHBondContact O-N 3.27Å
409	K	30.6	Very low	30.4	Very low	150 Å²	150	128.2 Å²	128.2	65%	0.652	64%	0.644	S	S	*	*	H	α-helix	trans	-73.6	-26.1	173.1	-91.3	179.8	175.1	174.8	0	114.1	M407	M407-K409 VanDerWaalsContact C-N 3.31Å; M407-K409 PolarHBondContact O-N 3.25Å
410	T	32.9	Very low	30.4	Very low	79 Å²	79	131.1 Å²	131.1	49%	0.485	65%	0.653	S	S	.	*	H	α-helix	trans	-87	-32.3	174.6	24.6	0	0	0	0	113.4	H406 M407 R413 S414	H406-T410 PolarHBondContact O-N 3.1Å; H406-T410 PolarHBondContact O-OG1 3.13Å; M407-T410 WeakPolarHBondContact CA-OG1 3.4Å; M407-T410 PolarHBondContact O-N 3.14Å; M407-T410 PolarHBondContact O-OG1 3.48Å; M407-T410 VanDerWaalsContact O-OG1 3.09Å; T410-R413 PolarHBondContact O-N 2.81Å; T410-S414 PolarHBondContact O-N 3.16Å; T410-S414 PolarHBondContact O-OG 3.12Å
411	I	33.2	Very low	30.5	Very low	90 Å²	90	123.6 Å²	123.6	46%	0.462	62%	0.624	S	S	.	*	H	α-helix	trans	-71.4	-33.8	177.3	-67.8	165.6	0	0	0	111.1	M407 R413 S414	M407-I411 WeakPolarHBondContact O-CB 3.44Å; M407-I411 WeakPolarHBondContact O-CD1 3.48Å; M407-I411 VanDerWaalsContact O-CG1 3.26Å; M407-I411 WeakPolarHBondContact O-CG1 3.21Å; M407-I411 PolarHBondContact O-N 3.17Å; I411-R413 VanDerWaalsContact C-N 3.32Å; I411-R413 PolarHBondContact O-N 3.25Å; I411-S414 PolarHBondContact O-OG 3.02Å
412	N	31.3	Very low	30.4	Very low	130 Å²	130	124.8 Å²	124.8	70%	0.695	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-8	172	-85	-10.8	0	0	0	114.6	N408	N408-N412 PolarHBondContact O-N 3.27Å
413	R	29.3	Very low	30.7	Very low	203 Å²	203	121.7 Å²	121.7	77%	0.766	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-11.2	175.3	-95	-179.7	170.4	171.6	-2.5	113.9	T410 I411	T410-R413 PolarHBondContact O-N 2.81Å; I411-R413 VanDerWaalsContact C-N 3.32Å; I411-R413 PolarHBondContact O-N 3.25Å
414	S	33	Very low	31	Very low	76 Å²	76	117.6 Å²	117.6	53%	0.531	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.1	-3.4	-178.4	45.9	0	0	0	0	115.3	T410 I411	T410-S414 PolarHBondContact O-N 3.16Å; T410-S414 PolarHBondContact O-OG 3.12Å; I411-S414 PolarHBondContact O-OG 3.02Å
415	F	30.3	Very low	31.2	Very low	187 Å²	187	116.4 Å²	116.4	82%	0.82	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	2	179.7	-95.9	-84.6	0	0	0	115
416	I	29.8	Very low	31.5	Very low	154 Å²	154	114.4 Å²	114.4	79%	0.79	59%	0.592	S	S	*	*	S	Bend	trans	-135.8	59.1	-179.7	-47.5	175.8	0	0	0	110.2
417	M	28.4	Very low	31.9	Very low	123 Å²	123	112.2 Å²	112.2	61%	0.606	58%	0.582	S	S	*	*			trans	-129.8	105.5	175.4	-82.3	-177.6	70.5	0	0	111.2	S421	M417-S421 VanDerWaalsContact CE-CB 3.42Å; M417-S421 WeakPolarHBondContact CE-OG 3.38Å
418	S	28.4	Very low	32.1	Very low	89 Å²	89	109.3 Å²	109.3	62%	0.622	57%	0.571	S	S	*	*			trans	-43.2	147.2	172	58.1	0	0	0	0	113.4	N420 S421	S418-N420 PolarHBondContact O-N 3.42Å; S418-S421 PolarHBondContact O-N 3.49Å; S418-S421 PolarHBondContact O-OG 3.41Å
419	T	33	Very low	32.4	Very low	128 Å²	128	109.1 Å²	109.1	79%	0.785	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.7	-16.4	-177.1	47	0	0	0	0	115.8
420	N	32.8	Very low	32.6	Very low	133 Å²	133	105.3 Å²	105.3	71%	0.711	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-11.3	179.2	-70	-21.4	0	0	0	115.1	S418 T423	S418-N420 PolarHBondContact O-N 3.42Å; N420-T423 PolarHBondContact O-OG1 3.49Å
421	S	30.5	Very low	32.7	Very low	24 Å²	24	110 Å²	110	17%	0.168	56%	0.564	C	S	.	*	S	Bend	trans	-94.1	-13.2	-175.6	61.9	0	0	0	0	115	M417 S418 T423 S424	M417-S421 VanDerWaalsContact CE-CB 3.42Å; M417-S421 WeakPolarHBondContact CE-OG 3.38Å; S418-S421 PolarHBondContact O-N 3.49Å; S418-S421 PolarHBondContact O-OG 3.41Å; S421-T423 VanDerWaalsContact C-N 3.27Å; S421-T423 PolarHBondContact O-N 3.01Å; S421-S424 PolarHBondContact O-N 3.41Å; S421-S424 PolarHBondContact O-OG 3.37Å
422	F	30.4	Very low	32.8	Very low	163 Å²	163	114 Å²	114	72%	0.715	57%	0.573	S	S	*	*	H	α-helix	trans	-65.9	-31.6	179.1	-142.4	-94.8	0	0	0	112.1	D426	F422-D426 PolarHBondContact O-N 3.36Å
423	T	37.1	Very low	33.2	Very low	85 Å²	85	111.1 Å²	111.1	52%	0.521	55%	0.554	S	S	.	*	H	α-helix	trans	-72.3	-30.5	-178.6	62.5	0	0	0	0	113.2	N420 S421 Q427	N420-T423 PolarHBondContact O-OG1 3.49Å; S421-T423 VanDerWaalsContact C-N 3.27Å; S421-T423 PolarHBondContact O-N 3.01Å; T423-Q427 VanDerWaalsContact O-CB 3.23Å; T423-Q427 WeakPolarHBondContact O-CB 3.48Å; T423-Q427 VanDerWaalsContact O-CD 3.24Å; T423-Q427 WeakPolarHBondContact O-CG 3.41Å; T423-Q427 PolarHBondContact O-N 2.82Å; T423-Q427 VanDerWaalsContact O-N 3.1Å
424	S	34.7	Very low	33.7	Very low	63 Å²	63	107.6 Å²	107.6	44%	0.441	55%	0.546	S	S	.	.	H	α-helix	trans	-80.4	-35	-176.9	67.8	0	0	0	0	112.3	S421 Q427 S428	S421-S424 PolarHBondContact O-N 3.41Å; S421-S424 PolarHBondContact O-OG 3.37Å; S424-Q427 PolarHBondContact O-N 2.87Å; S424-S428 WeakPolarHBondContact O-CB 3.37Å; S424-S428 PolarHBondContact O-N 2.97Å
425	L	33.3	Very low	33.7	Very low	107 Å²	107	107.2 Å²	107.2	56%	0.56	54%	0.544	S	S	*	.	H	α-helix	trans	-69.4	-42.7	176.6	-139.4	98.1	0	0	0	111.1	Q427 S428 M429	L425-Q427 VanDerWaalsContact C-N 3.34Å; L425-S428 WeakPolarHBondContact O-CB 3.3Å; L425-S428 PolarHBondContact O-N 3.13Å; L425-S428 PolarHBondContact O-OG 3.42Å; L425-M429 PolarHBondContact O-N 3.45Å
426	D	36.4	Very low	33.8	Very low	78 Å²	78	105 Å²	105	42%	0.417	54%	0.54	S	S	.	.	H	α-helix	trans	-67.8	-35.6	177	-132.8	4.6	0	0	0	111.7	F422 S428 N430	F422-D426 PolarHBondContact O-N 3.36Å; D426-S428 VanDerWaalsContact C-N 3.31Å; D426-S428 PolarHBondContact O-N 3.04Å; D426-N430 WeakPolarHBondContact O-CB 3.28Å; D426-N430 PolarHBondContact O-N 2.67Å; D426-N430 PolarHBondContact O-ND2 3.25Å
427	Q	36.6	Very low	33.6	Very low	95 Å²	95	101.7 Å²	101.7	44%	0.444	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-30.5	169	-79.1	170.6	13.6	0	0	113	T423 S424 L425 R431	T423-Q427 VanDerWaalsContact O-CB 3.23Å; T423-Q427 WeakPolarHBondContact O-CB 3.48Å; T423-Q427 VanDerWaalsContact O-CD 3.24Å; T423-Q427 WeakPolarHBondContact O-CG 3.41Å; T423-Q427 PolarHBondContact O-N 2.82Å; T423-Q427 VanDerWaalsContact O-N 3.1Å; S424-Q427 PolarHBondContact O-N 2.87Å; L425-Q427 VanDerWaalsContact C-N 3.34Å; Q427-R431 WeakPolarHBondContact O-CG 3.26Å; Q427-R431 PolarHBondContact O-NE 3.49Å
428	S	32.9	Very low	33.6	Very low	39 Å²	39	102 Å²	102	27%	0.273	53%	0.532	S	S	.	.	H	α-helix	trans	-79	-35.3	177.9	86.3	0	0	0	0	112.6	S424 L425 D426 R431	S424-S428 WeakPolarHBondContact O-CB 3.37Å; S424-S428 PolarHBondContact O-N 2.97Å; L425-S428 WeakPolarHBondContact O-CB 3.3Å; L425-S428 PolarHBondContact O-N 3.13Å; L425-S428 PolarHBondContact O-OG 3.42Å; D426-S428 VanDerWaalsContact C-N 3.31Å; D426-S428 PolarHBondContact O-N 3.04Å; S428-R431 PolarHBondContact O-N 3.3Å
429	M	35.2	Very low	33.5	Very low	95 Å²	95	107.5 Å²	107.5	47%	0.468	54%	0.541	S	S	.	.	H	α-helix	trans	-74.9	-31.1	177.2	-69.3	-149	-68.3	0	0	112.1	L425 R431 K433	L425-M429 PolarHBondContact O-N 3.45Å; M429-R431 VanDerWaalsContact C-N 3.32Å; M429-R431 PolarHBondContact O-N 3.02Å; M429-K433 WeakPolarHBondContact O-CG 3.41Å
430	N	34.7	Very low	33.1	Very low	71 Å²	71	107 Å²	107	38%	0.38	54%	0.537	S	S	.	.	H	α-helix	trans	-71.9	-20.9	173.2	-72.4	-25.2	0	0	0	114.3	D426 R432 K433	D426-N430 WeakPolarHBondContact O-CB 3.28Å; D426-N430 PolarHBondContact O-N 2.67Å; D426-N430 PolarHBondContact O-ND2 3.25Å; N430-R432 VanDerWaalsContact C-N 3.3Å; N430-R432 PolarHBondContact O-N 3.28Å; N430-K433 VanDerWaalsContact OD1-CD 3.3Å; N430-K433 WeakPolarHBondContact OD1-CD 3.4Å; N430-K433 PolarHBondContact OD1-NZ 3.08Å
431	R	35	Very low	32.8	Very low	178 Å²	178	106.9 Å²	106.9	67%	0.672	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.2	175.3	-75.6	173.7	-151.4	-162.4	6.3	114.3	Q427 S428 M429	Q427-R431 WeakPolarHBondContact O-CG 3.26Å; Q427-R431 PolarHBondContact O-NE 3.49Å; S428-R431 PolarHBondContact O-N 3.3Å; M429-R431 VanDerWaalsContact C-N 3.32Å; M429-R431 PolarHBondContact O-N 3.02Å
432	R	36.1	Very low	32.6	Very low	172 Å²	172	110.3 Å²	110.3	65%	0.649	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-2.9	-175.9	-75.3	-176.6	-93.9	-171.9	-4.9	114.5	N430	N430-R432 VanDerWaalsContact C-N 3.3Å; N430-R432 PolarHBondContact O-N 3.28Å
433	K	38.5	Very low	32.3	Very low	70 Å²	70	113.2 Å²	113.2	30%	0.304	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-13.4	-164.2	-94.3	178.3	-175.8	170.8	0	116.3	M429 N430 Y471	M429-K433 WeakPolarHBondContact O-CG 3.41Å; N430-K433 VanDerWaalsContact OD1-CD 3.3Å; N430-K433 WeakPolarHBondContact OD1-CD 3.4Å; N430-K433 PolarHBondContact OD1-NZ 3.08Å; K433-Y471 HydrophobicContact CB-CE2 4.46Å; K433-Y471 WeakPolarHBondContact CB-OH 3.39Å; K433-Y471 HydrophobicContact CD-CE2 3.52Å; K433-Y471 HydrophobicContact CG-CE2 3.77Å; K433-Y471 WeakPolarHBondContact CG-OH 3.45Å; K433-Y471 PolarHBondContact O-OH 2.95Å
434	H	40.1	Very low	31.8	Very low	129 Å²	129	115.2 Å²	115.2	60%	0.597	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	4.1	-176.3	-72.5	-71.9	0	0	0	114.5
435	S	34.1	Very low	31.4	Very low	69 Å²	69	117.7 Å²	117.7	48%	0.483	59%	0.59	S	S	.	*	S	Bend	trans	-124.4	104.6	173	55.8	0	0	0	0	108.3
436	L	31	Very low	31.1	Very low	139 Å²	139	116.5 Å²	116.5	73%	0.728	59%	0.591	S	S	*	*			trans	79.6	140.2	177	-59.5	113.7	0	0	0	117.6	L438	L436-L438 PolarHBondContact O-N 2.91Å; L436-L438 VanDerWaalsContact O-N 3.11Å
437	P	27.3	Very low	30.6	Very low	86 Å²	86	121.1 Å²	121.1	56%	0.558	61%	0.608	S	S	*	*			trans	-74.7	94.2	163.1	31.9	-27.9	0	0	0	107.8	L167 Y439	L167-P437 HydrophobicContact CD2-CG 4.25Å; P437-Y439 PolarHBondContact O-N 3.39Å
438	L	27.8	Very low	30	Very low	129 Å²	129	123.8 Å²	123.8	68%	0.675	63%	0.625	S	S	*	*			trans	-79.6	97.2	168	-95.8	143.6	0	0	0	108.5	L436 T440	L436-L438 PolarHBondContact O-N 2.91Å; L436-L438 VanDerWaalsContact O-N 3.11Å; L438-T440 VanDerWaalsContact C-N 3.34Å; L438-T440 PolarHBondContact O-N 2.93Å
439	Y	26.3	Very low	29.6	Very low	205 Å²	205	128.6 Å²	128.6	80%	0.804	65%	0.646	S	S	*	*			trans	-65.4	92.9	160.5	-93.5	-91.8	0	0	0	108.4	P437 I441	P437-Y439 PolarHBondContact O-N 3.39Å; Y439-I441 PolarHBondContact O-N 3.45Å
440	T	24.6	Very low	29.1	Very low	117 Å²	117	134.1 Å²	134.1	72%	0.718	66%	0.663	S	S	*	*			trans	-89.3	93.8	162.4	52.2	0	0	0	0	107.9	L438 S442	L438-T440 VanDerWaalsContact C-N 3.34Å; L438-T440 PolarHBondContact O-N 2.93Å; T440-S442 PolarHBondContact O-N 3.43Å; T440-S442 VanDerWaalsContact O-N 3.13Å
441	I	25.7	Very low	28.6	Very low	130 Å²	130	137.4 Å²	137.4	67%	0.667	68%	0.681	S	S	*	*			trans	-69.9	102.5	167.4	-62.9	171.7	0	0	0	106.7	Y439 R443	Y439-I441 PolarHBondContact O-N 3.45Å; I441-R443 VanDerWaalsContact C-N 3.32Å; I441-R443 HydrophobicContact CG2-CG 3.97Å; I441-R443 PolarHBondContact O-N 3.4Å
442	S	26	Very low	28.4	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	69%	0.689	S	S	*	*			trans	-69.4	93.5	161.7	175.3	0	0	0	0	108	T440 N444	T440-S442 PolarHBondContact O-N 3.43Å; T440-S442 VanDerWaalsContact O-N 3.13Å; S442-N444 PolarHBondContact O-N 3.35Å
443	R	24.1	Very low	27.9	Very low	224 Å²	224	134 Å²	134	85%	0.845	69%	0.694	S	S	*	*			trans	-84.7	88.8	163.2	-97.5	177.7	172.2	172.3	-2.7	107	I441	I441-R443 VanDerWaalsContact C-N 3.32Å; I441-R443 HydrophobicContact CG2-CG 3.97Å; I441-R443 PolarHBondContact O-N 3.4Å
444	N	27.1	Very low	27.3	Very low	127 Å²	127	138 Å²	138	68%	0.679	72%	0.719	S	S	*	*			trans	-149.1	76.7	163.1	-99.4	-3.4	0	0	0	110.1	S442	S442-N444 PolarHBondContact O-N 3.35Å
445	S	27.5	Very low	26.8	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	73%	0.729	S	S	*	*			trans	-143.4	49.4	147.8	58.7	0	0	0	0	108.4	F447	S445-F447 PolarHBondContact O-N 2.81Å
446	S	26.8	Very low	26.5	Very low	82 Å²	82	142.2 Å²	142.2	57%	0.573	75%	0.749	S	S	*	*			trans	-77.4	97.6	158.7	44.5	0	0	0	0	107.2	N448	S446-N448 PolarHBondContact O-N 2.8Å
447	F	24.4	Very low	26.2	Very low	176 Å²	176	144.1 Å²	144.1	77%	0.772	76%	0.757	S	S	*	*			trans	18.6	105.1	134.4	-87.8	-99.7	0	0	0	113.9	S445 I449	S445-F447 PolarHBondContact O-N 2.81Å; F447-I449 HydrophobicContact CD1-CD1 4.39Å
448	N	25.4	Very low	26.1	Very low	150 Å²	150	146.2 Å²	146.2	80%	0.802	76%	0.763	S	S	*	*			trans	-137.8	96	148.1	-96.3	-13.5	0	0	0	107.7	S446 Y450	S446-N448 PolarHBondContact O-N 2.8Å; N448-Y450 PolarHBondContact O-N 3.42Å
449	I	23.4	Very low	26.1	Very low	141 Å²	141	147 Å²	147	72%	0.723	77%	0.765	S	S	*	*			trans	-55.2	111.1	160.7	-65.3	159.2	0	0	0	106.5	F447	F447-I449 HydrophobicContact CD1-CD1 4.39Å
450	Y	25.9	Very low	26.2	Very low	210 Å²	210	144.3 Å²	144.3	82%	0.824	77%	0.765	S	S	*	*			trans	-137.8	112.6	157.7	-95.7	-80.2	0	0	0	109.2	N448 T452	N448-Y450 PolarHBondContact O-N 3.42Å; Y450-T452 PolarHBondContact O-N 3.45Å
451	N	24.2	Very low	26.5	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	77%	0.768	S	S	*	*			trans	-21.2	117	157.7	-87.3	-15.6	0	0	0	114.2
452	T	29.6	Very low	26.6	Very low	138 Å²	138	145.7 Å²	145.7	85%	0.847	77%	0.768	S	S	*	*			trans	-145.7	110.4	139.4	45.3	0	0	0	0	108.4	Y450	Y450-T452 PolarHBondContact O-N 3.45Å
453	N	26.7	Very low	26.7	Very low	141 Å²	141	147.9 Å²	147.9	75%	0.754	77%	0.77	S	S	*	*			trans	-57.1	151.1	168.1	-70.8	-29.3	0	0	0	110.7
454	N	26.4	Very low	26.7	Very low	154 Å²	154	146.4 Å²	146.4	82%	0.824	77%	0.765	S	S	*	*			trans	69.2	95.9	166.2	-61.9	-12.1	0	0	0	116.4
455	S	29.5	Very low	26.7	Very low	114 Å²	114	145.7 Å²	145.7	80%	0.797	77%	0.767	S	S	*	*				166.1	139.8	103.7	47.4	0	0	0	0	110.1	M457	S455-M457 PolarHBondContact O-N 3.21Å; S455-M457 VanDerWaalsContact O-N 3.09Å
456	N	26.2	Very low	26.8	Very low	172 Å²	172	146 Å²	146	92%	0.92	76%	0.756	S	S	*	*			trans	-48.3	107.2	-178.4	-61.3	-33.5	0	0	0	112.5
457	M	25.6	Very low	26.8	Very low	178 Å²	178	150 Å²	150	88%	0.877	77%	0.77	S	S	*	*			trans	-134.3	127.3	158.7	-94.1	-167.4	164.8	0	0	109.2	S455 M459	S455-M457 PolarHBondContact O-N 3.21Å; S455-M457 VanDerWaalsContact O-N 3.09Å; M457-M459 PolarHBondContact O-N 3Å
458	N	25.7	Very low	27.2	Very low	131 Å²	131	147.8 Å²	147.8	70%	0.701	77%	0.765	S	S	*	*			trans	-49.9	119.9	-176.4	-92	-24.3	0	0	0	112	N460 D461	N458-N460 PolarHBondContact O-N 3.42Å; N458-D461 PolarHBondContact O-N 3.28Å
459	M	26.8	Very low	27.8	Very low	145 Å²	145	146.6 Å²	146.6	71%	0.714	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	2.6	177.8	-87.1	-78.9	-80.1	0	0	114.9	M457	M457-M459 PolarHBondContact O-N 3Å
460	N	29.7	Very low	28.6	Very low	148 Å²	148	145 Å²	145	79%	0.791	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-8.6	-179.5	-69	-9.8	0	0	0	113.6	N458	N458-N460 PolarHBondContact O-N 3.42Å
461	D	29.2	Very low	29.3	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	73%	0.729	S	S	*	*	S	Bend	trans	-97.8	4.5	-176.2	-68.4	-32.1	0	0	0	114.5	N458	N458-D461 PolarHBondContact O-N 3.28Å
462	I	28.2	Very low	30.8	Very low	130 Å²	130	136.1 Å²	136.1	67%	0.667	71%	0.714	S	S	*	*	S	Bend	trans	-108.2	-4	-167	-63	177.3	0	0	0	114.8
463	I	28.1	Very low	32.5	Very low	142 Å²	142	133 Å²	133	73%	0.728	69%	0.69	S	S	*	*			trans	-133.5	83.7	-173	-48.9	177.4	0	0	0	112.5
464	R	24.9	Very low	34.3	Very low	193 Å²	193	133 Å²	133	73%	0.728	68%	0.683	S	S	*	*			trans	-142.5	90.4	160.9	-116.5	-173.4	-172.6	-159.3	12.8	112.3	Q466	R464-Q466 VanDerWaalsContact C-N 3.29Å; R464-Q466 HydrophobicContact CB-CG 4.12Å; R464-Q466 HydrophobicContact CG-CG 3.64Å; R464-Q466 PolarHBondContact O-N 3.2Å; R464-Q466 VanDerWaalsContact O-N 3.12Å
465	P	26	Very low	36.1	Very low	113 Å²	113	130 Å²	130	73%	0.734	66%	0.664	S	S	*	*			trans	-81.9	78.6	160.9	34	-28.1	0	0	0	108.4	L467	P465-L467 PolarHBondContact O-N 2.98Å
466	Q	30.2	Very low	38.1	Very low	121 Å²	121	126.6 Å²	126.6	57%	0.565	64%	0.636	S	S	*	*			trans	-79.9	15.9	176.4	-67	-152.8	-58.5	0	0	114.6	R464	R464-Q466 VanDerWaalsContact C-N 3.29Å; R464-Q466 HydrophobicContact CB-CG 4.12Å; R464-Q466 HydrophobicContact CG-CG 3.64Å; R464-Q466 PolarHBondContact O-N 3.2Å; R464-Q466 VanDerWaalsContact O-N 3.12Å
467	L	27.2	Very low	40.3	Very low	165 Å²	165	124.9 Å²	124.9	86%	0.864	62%	0.618	S	S	*	*	S	Bend	trans	-108.1	8.4	-160.4	-104.6	151	0	0	0	117	P465	P465-L467 PolarHBondContact O-N 2.98Å
468	I	32	Very low	42.7	Very low	131 Å²	131	120 Å²	120	67%	0.672	60%	0.595	S	S	*	*	S	Bend	trans	-127.3	-0.8	-170	-54.6	-179.9	0	0	0	115.3
469	I	37.3	Very low	45.1	Very low	124 Å²	124	115 Å²	115	64%	0.636	57%	0.572	S	S	*	*	S	Bend	trans	-101.8	-23	-176.8	-57.7	176.8	0	0	0	114	Y471 P472	I469-Y471 PolarHBondContact O-N 2.89Å; I469-P472 WeakPolarHBondContact O-CD 3.46Å
470	N	41	Very low	47.7	Very low	108 Å²	108	110 Å²	110	58%	0.578	55%	0.547	S	S	*	.	H	α-helix	trans	-81	-10.7	-167.6	-63.5	1.8	0	0	0	115.5	K474	N470-K474 PolarHBondContact O-N 3.05Å
471	Y	41.7	Very low	50.3	Low	99 Å²	99	105.7 Å²	105.7	39%	0.388	52%	0.522	S	S	.	.	H	α-helix	trans	-71.9	-49.9	-174.9	-165.8	-102.1	0	0	0	114.5	K433 I469 E473 K474 Q475	K433-Y471 HydrophobicContact CB-CE2 4.46Å; K433-Y471 WeakPolarHBondContact CB-OH 3.39Å; K433-Y471 HydrophobicContact CD-CE2 3.52Å; K433-Y471 HydrophobicContact CG-CE2 3.77Å; K433-Y471 WeakPolarHBondContact CG-OH 3.45Å; K433-Y471 PolarHBondContact O-OH 2.95Å; I469-Y471 PolarHBondContact O-N 2.89Å; Y471-E473 VanDerWaalsContact C-N 3.3Å; Y471-E473 PolarHBondContact O-N 3.45Å; Y471-K474 PolarHBondContact O-N 2.91Å; Y471-Q475 PolarHBondContact O-N 3.11Å
472	P	55.8	Low	52.8	Low	65 Å²	65	100.4 Å²	100.4	42%	0.422	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-36	175.8	24.2	-34.9	0	0	0	112.6	I469 Q475 I476	I469-P472 WeakPolarHBondContact O-CD 3.46Å; P472-Q475 PolarHBondContact O-N 3.01Å; P472-I476 WeakPolarHBondContact O-CG1 3.22Å; P472-I476 PolarHBondContact O-N 3.39Å
473	E	63.6	Low	55.6	Low	73 Å²	73	94.3 Å²	94.3	34%	0.341	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-47.3	178.9	-64.3	-177.4	167.6	0	0	111.9	L307 Y471 Q475 I476 Y477	L307-E473 HydrophobicContact CD1-CG 4.26Å; L307-E473 HydrophobicContact CD2-CG 4.25Å; Y471-E473 VanDerWaalsContact C-N 3.3Å; Y471-E473 PolarHBondContact O-N 3.45Å; E473-Q475 VanDerWaalsContact C-N 3.28Å; E473-Q475 PolarHBondContact O-N 3.25Å; E473-I476 PolarHBondContact O-N 3Å; E473-Y477 WeakPolarHBondContact O-CB 3.26Å; E473-Y477 PolarHBondContact O-N 3.31Å
474	K	64.2	Low	58.4	Low	140 Å²	140	90.6 Å²	90.6	61%	0.609	45%	0.448	S	S	*	.	H	α-helix	trans	-61.2	-37.3	177.3	-172.3	172.1	-176.4	171.3	0	112.1	N470 Y471 N478	N470-K474 PolarHBondContact O-N 3.05Å; Y471-K474 PolarHBondContact O-N 2.91Å; K474-N478 WeakPolarHBondContact O-CB 3.48Å; K474-N478 PolarHBondContact O-N 3.42Å; K474-N478 PolarHBondContact O-ND2 2.98Å
475	Q	66.1	Low	61.5	Low	93 Å²	93	81.8 Å²	81.8	44%	0.435	42%	0.416	S	S	.	.	H	α-helix	trans	-68.1	-41.5	177.4	-171.4	174.2	15.9	0	0	112	Y471 P472 E473 N478 A479	Y471-Q475 PolarHBondContact O-N 3.11Å; P472-Q475 PolarHBondContact O-N 3.01Å; E473-Q475 VanDerWaalsContact C-N 3.28Å; E473-Q475 PolarHBondContact O-N 3.25Å; Q475-N478 PolarHBondContact O-N 3.1Å; Q475-A479 WeakPolarHBondContact O-CB 3.43Å; Q475-A479 PolarHBondContact O-N 3.43Å
476	I	70	Confident	64.4	Low	42 Å²	42	77.3 Å²	77.3	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-68	-41.2	177.7	-69.7	165.6	0	0	0	110.7	H303 I304 L307 P472 E473 N478 A479 H480	H303-I476 HydrophobicContact CB-CG2 4.08Å; I304-I476 HydrophobicContact CG1-CG2 3.91Å; L307-I476 HydrophobicContact CD1-CB 3.85Å; L307-I476 HydrophobicContact CD1-CD1 3.6Å; L307-I476 HydrophobicContact CD1-CG1 4.3Å; L307-I476 HydrophobicContact CD1-CG2 3.7Å; L307-I476 HydrophobicContact CD2-CD1 3.96Å; L307-I476 HydrophobicContact CG-CD1 4.03Å; P472-I476 WeakPolarHBondContact O-CG1 3.22Å; P472-I476 PolarHBondContact O-N 3.39Å; E473-I476 PolarHBondContact O-N 3Å; I476-N478 PolarHBondContact O-N 3.35Å; I476-A479 WeakPolarHBondContact O-CB 3.45Å; I476-A479 PolarHBondContact O-N 3.26Å; I476-H480 PolarHBondContact O-N 2.98Å
477	Y	72.8	Confident	67.3	Low	135 Å²	135	72.1 Å²	72.1	53%	0.529	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-46.4	173.1	-179.6	-94.6	0	0	0	112	E473 A479 H480 K481	E473-Y477 WeakPolarHBondContact O-CB 3.26Å; E473-Y477 PolarHBondContact O-N 3.31Å; Y477-A479 VanDerWaalsContact C-N 3.31Å; Y477-A479 PolarHBondContact O-N 3.47Å; Y477-H480 PolarHBondContact O-N 2.94Å; Y477-K481 PolarHBondContact O-N 2.88Å
478	N	75.4	Confident	70.4	Confident	75 Å²	75	67.2 Å²	67.2	40%	0.401	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-38.3	175.9	-72.2	-19.2	0	0	0	112.1	K474 Q475 I476 K481 A482	K474-N478 WeakPolarHBondContact O-CB 3.48Å; K474-N478 PolarHBondContact O-N 3.42Å; K474-N478 PolarHBondContact O-ND2 2.98Å; Q475-N478 PolarHBondContact O-N 3.1Å; I476-N478 PolarHBondContact O-N 3.35Å; N478-K481 PolarHBondContact O-N 3.28Å; N478-A482 WeakPolarHBondContact O-CB 3.25Å; N478-A482 PolarHBondContact O-N 2.9Å
479	A	77.6	Confident	73.3	Confident	27 Å²	27	61.1 Å²	61.1	22%	0.223	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-42.4	176.7	0	0	0	0	0	112	I163 Q475 I476 Y477 A482 A483	I163-A479 HydrophobicContact CD1-CB 4.19Å; I163-A479 HydrophobicContact CG1-CB 4.33Å; Q475-A479 WeakPolarHBondContact O-CB 3.43Å; Q475-A479 PolarHBondContact O-N 3.43Å; I476-A479 WeakPolarHBondContact O-CB 3.45Å; I476-A479 PolarHBondContact O-N 3.26Å; Y477-A479 VanDerWaalsContact C-N 3.31Å; Y477-A479 PolarHBondContact O-N 3.47Å; A479-A482 PolarHBondContact O-N 3.5Å; A479-A483 PolarHBondContact O-N 2.93Å
480	H	80.8	Confident	75.9	Confident	39 Å²	39	55.6 Å²	55.6	18%	0.181	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-44.3	174.2	178	-102.6	0	0	0	111.9	I304 I476 Y477 A482 A483 I484	I304-H480 HydrophobicContact CD1-CB 3.59Å; I304-H480 VanDerWaalsContact CD1-CD2 3.43Å; I304-H480 WeakPolarHBondContact CD1-CD2 3.34Å; I476-H480 PolarHBondContact O-N 2.98Å; Y477-H480 PolarHBondContact O-N 2.94Å; H480-A482 VanDerWaalsContact C-N 3.32Å; H480-A482 PolarHBondContact O-N 2.91Å; H480-A483 WeakPolarHBondContact O-CB 3.41Å; H480-A483 PolarHBondContact O-N 2.67Å; H480-A483 VanDerWaalsContact O-N 3.14Å; H480-I484 WeakPolarHBondContact CE1-CD1 3.45Å; H480-I484 WeakPolarHBondContact O-CG1 3.38Å; H480-I484 PolarHBondContact O-N 3.42Å
481	K	84.1	Confident	78.3	Confident	59 Å²	59	51.8 Å²	51.8	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-41.2	176.6	-164.1	172.7	-174.2	168.5	0	111.9	Y477 N478 I484 T485 N541	Y477-K481 PolarHBondContact O-N 2.88Å; N478-K481 PolarHBondContact O-N 3.28Å; K481-I484 PolarHBondContact O-N 2.92Å; K481-T485 PolarHBondContact O-N 2.95Å; K481-T485 PolarHBondContact O-OG1 3.3Å; K481-N541 PolarHBondContact NZ-ND2 3.28Å; K481-N541 PolarHBondContact NZ-OD1 3.45Å
482	A	82	Confident	80.9	Confident	35 Å²	35	47.7 Å²	47.7	29%	0.289	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-39.5	174.1	0	0	0	0	0	112.4	N478 A479 H480 T485 L486	N478-A482 WeakPolarHBondContact O-CB 3.25Å; N478-A482 PolarHBondContact O-N 2.9Å; A479-A482 PolarHBondContact O-N 3.5Å; H480-A482 VanDerWaalsContact C-N 3.32Å; H480-A482 PolarHBondContact O-N 2.91Å; A482-T485 PolarHBondContact O-N 2.66Å; A482-L486 WeakPolarHBondContact O-CG 3.43Å; A482-L486 PolarHBondContact O-N 2.94Å; A482-L486 VanDerWaalsContact O-N 3.09Å
483	A	85.9	Confident	82.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-43.1	174.6	0	0	0	0	0	111.6	Y293 L296 T300 A479 H480 T485 L486 G487	Y293-A483 WeakPolarHBondContact CE2-O 3.21Å; L296-A483 HydrophobicContact CD2-CB 4.19Å; L296-A483 HydrophobicContact CG-CB 4.13Å; T300-A483 HydrophobicContact CG2-CB 4.1Å; A479-A483 PolarHBondContact O-N 2.93Å; H480-A483 WeakPolarHBondContact O-CB 3.41Å; H480-A483 PolarHBondContact O-N 2.67Å; H480-A483 VanDerWaalsContact O-N 3.14Å; A483-T485 PolarHBondContact O-N 3.37Å; A483-L486 PolarHBondContact O-N 2.7Å; A483-G487 PolarHBondContact O-N 3.34Å
484	I	88.2	Confident	84.1	Confident	64 Å²	64	42.6 Å²	42.6	33%	0.328	23%	0.226	S	C	.	.	H	α-helix	trans	-58.9	-48.9	174.3	-67.8	166.8	0	0	0	110.9	H480 K481 L486 G487 V488	H480-I484 WeakPolarHBondContact CE1-CD1 3.45Å; H480-I484 WeakPolarHBondContact O-CG1 3.38Å; H480-I484 PolarHBondContact O-N 3.42Å; K481-I484 PolarHBondContact O-N 2.92Å; I484-L486 VanDerWaalsContact C-N 3.27Å; I484-L486 PolarHBondContact O-N 3.23Å; I484-G487 WeakPolarHBondContact O-CA 3.18Å; I484-G487 PolarHBondContact O-N 3.46Å; I484-V488 HydrophobicContact CG2-CG2 4.37Å; I484-V488 WeakPolarHBondContact O-CG2 3.22Å; I484-V488 PolarHBondContact O-N 3.37Å
485	T	89.1	Confident	85.5	Confident	9 Å²	9	41.7 Å²	41.7	6%	0.055	23%	0.227	C	C	.	.	H	α-helix	trans	-55.8	-44.6	179.3	-57.6	0	0	0	0	111.6	K481 A482 A483 V488 I489 Y536 L539	K481-T485 PolarHBondContact O-N 2.95Å; K481-T485 PolarHBondContact O-OG1 3.3Å; A482-T485 PolarHBondContact O-N 2.66Å; A483-T485 PolarHBondContact O-N 3.37Å; T485-V488 PolarHBondContact O-N 2.87Å; T485-I489 HydrophobicContact CG2-CD1 4.09Å; T485-I489 VanDerWaalsContact O-CG1 3.31Å; T485-I489 WeakPolarHBondContact O-CG1 3.39Å; T485-I489 PolarHBondContact O-N 3.4Å; T485-I489 VanDerWaalsContact O-N 3.13Å; T485-Y536 HydrophobicContact CG2-CD2 4.3Å; T485-L539 HydrophobicContact CG2-CB 3.88Å; T485-L539 HydrophobicContact CG2-CD1 4.37Å; T485-L539 WeakPolarHBondContact OG1-CB 3.26Å
486	L	88.3	Confident	87	Confident	18 Å²	18	37.5 Å²	37.5	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-47.1	175.4	-66.7	161.7	0	0	0	110.8	M155 R159 L296 A482 A483 I484 V488 I489 L490	M155-L486 HydrophobicContact CB-CD2 4.42Å; R159-L486 HydrophobicContact CB-CD1 3.68Å; R159-L486 HydrophobicContact CG-CD1 3.45Å; R159-L486 VanDerWaalsContact CG-CD1 3.45Å; L296-L486 HydrophobicContact CD2-CD1 4.34Å; A482-L486 WeakPolarHBondContact O-CG 3.43Å; A482-L486 PolarHBondContact O-N 2.94Å; A482-L486 VanDerWaalsContact O-N 3.09Å; A483-L486 PolarHBondContact O-N 2.7Å; I484-L486 VanDerWaalsContact C-N 3.27Å; I484-L486 PolarHBondContact O-N 3.23Å; L486-V488 VanDerWaalsContact C-N 3.26Å; L486-V488 PolarHBondContact O-N 2.94Å; L486-I489 WeakPolarHBondContact O-CB 3.26Å; L486-I489 PolarHBondContact O-N 3.18Å; L486-L490 WeakPolarHBondContact O-CG 3.38Å; L486-L490 PolarHBondContact O-N 3Å
487	G	90.8	Very high	88.1	Confident	12 Å²	12	35.8 Å²	35.8	12%	0.124	20%	0.199	C	C	.	.	H	α-helix	trans	-53.3	-42.2	177.1	0	0	0	0	0	113.7	Y293 A483 I484 L490 G491	Y293-G487 VanDerWaalsContact CZ-CA 3.45Å; A483-G487 PolarHBondContact O-N 3.34Å; I484-G487 WeakPolarHBondContact O-CA 3.18Å; I484-G487 PolarHBondContact O-N 3.46Å; G487-L490 PolarHBondContact O-N 3.41Å; G487-G491 PolarHBondContact O-N 3.48Å
488	V	92.7	Very high	89.1	Confident	63 Å²	63	33.1 Å²	33.1	38%	0.382	19%	0.193	S	C	.	.	H	α-helix	trans	-66.9	-41.7	176.6	-178.8	0	0	0	0	111.5	I484 T485 L486 G491 S492 V535 L539	I484-V488 HydrophobicContact CG2-CG2 4.37Å; I484-V488 WeakPolarHBondContact O-CG2 3.22Å; I484-V488 PolarHBondContact O-N 3.37Å; T485-V488 PolarHBondContact O-N 2.87Å; L486-V488 VanDerWaalsContact C-N 3.26Å; L486-V488 PolarHBondContact O-N 2.94Å; V488-G491 PolarHBondContact O-N 2.89Å; V488-S492 PolarHBondContact O-N 2.98Å; V488-S492 PolarHBondContact O-OG 3.46Å; V488-V535 HydrophobicContact CB-CG1 3.85Å; V488-V535 HydrophobicContact CG1-CG1 3.52Å; V488-V535 HydrophobicContact CG1-CG2 4.13Å; V488-L539 HydrophobicContact CB-CD1 3.79Å; V488-L539 HydrophobicContact CG1-CD1 4.05Å; V488-L539 HydrophobicContact CG2-CD1 3.76Å
489	I	92.4	Very high	90	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-42.8	176.4	-65.3	168.3	0	0	0	111.1	L152 T485 L486 S492 F493 V535 Y536	L152-I489 HydrophobicContact CD2-CG2 3.51Å; T485-I489 HydrophobicContact CG2-CD1 4.09Å; T485-I489 VanDerWaalsContact O-CG1 3.31Å; T485-I489 WeakPolarHBondContact O-CG1 3.39Å; T485-I489 PolarHBondContact O-N 3.4Å; T485-I489 VanDerWaalsContact O-N 3.13Å; L486-I489 WeakPolarHBondContact O-CB 3.26Å; L486-I489 PolarHBondContact O-N 3.18Å; I489-S492 PolarHBondContact O-OG 3.5Å; I489-F493 PolarHBondContact O-N 3.32Å; I489-V535 HydrophobicContact CD1-CG1 4.47Å; I489-V535 HydrophobicContact CG1-CB 4.06Å; I489-V535 HydrophobicContact CG1-CG1 3.55Å; I489-Y536 HydrophobicContact CD1-CD2 4.26Å
490	L	91.5	Very high	90.6	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-67.3	-39.8	178	-60.4	176.4	0	0	0	111.3	L152 A156 M289 Y293 L486 G487 T494	L152-L490 HydrophobicContact CB-CD2 3.6Å; L152-L490 HydrophobicContact CD1-CD2 4.34Å; L152-L490 HydrophobicContact CD2-CD2 4.13Å; L152-L490 HydrophobicContact CG-CD2 4.23Å; A156-L490 HydrophobicContact CB-CD1 4.07Å; M289-L490 HydrophobicContact CE-CB 3.9Å; M289-L490 WeakPolarHBondContact CE-O 3.46Å; M289-L490 HydrophobicContact CG-CB 4.07Å; M289-L490 HydrophobicContact CG-CD1 3.79Å; M289-L490 HydrophobicContact CG-CD2 3.75Å; M289-L490 HydrophobicContact CG-CG 4.02Å; M289-L490 HydrophobicContact SD-CB 3.67Å; M289-L490 HydrophobicContact SD-CD1 4.39Å; M289-L490 HydrophobicContact SD-CD2 3.44Å; M289-L490 WeakPolarHBondContact SD-CD2 3.29Å; M289-L490 HydrophobicContact SD-CG 3.94Å; Y293-L490 HydrophobicContact CD2-CD1 4.12Å; Y293-L490 HydrophobicContact CG-CD1 4.32Å; L486-L490 WeakPolarHBondContact O-CG 3.38Å; L486-L490 PolarHBondContact O-N 3Å; G487-L490 PolarHBondContact O-N 3.41Å; L490-T494 PolarHBondContact O-N 3.21Å; L490-T494 PolarHBondContact O-OG1 3.17Å
491	G	92.4	Very high	91.1	Very high	28 Å²	28	30.5 Å²	30.5	29%	0.289	18%	0.176	S	C	.	.	H	α-helix	trans	-65.1	-42.9	175.4	0	0	0	0	0	112.9	G487 V488 F493 T494 I495	G487-G491 PolarHBondContact O-N 3.48Å; V488-G491 PolarHBondContact O-N 2.89Å; G491-F493 VanDerWaalsContact C-N 3.33Å; G491-F493 PolarHBondContact O-N 3Å; G491-T494 WeakPolarHBondContact O-CB 3.25Å; G491-T494 PolarHBondContact O-N 2.92Å; G491-I495 WeakPolarHBondContact O-CG1 3.33Å; G491-I495 PolarHBondContact O-N 3.48Å
492	S	94.3	Very high	91.4	Very high	13 Å²	13	30.5 Å²	30.5	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-41.4	178	67.5	0	0	0	0	111.8	V488 I489 T494 I495 C496 N528	V488-S492 PolarHBondContact O-N 2.98Å; V488-S492 PolarHBondContact O-OG 3.46Å; I489-S492 PolarHBondContact O-OG 3.5Å; S492-T494 VanDerWaalsContact C-N 3.31Å; S492-T494 PolarHBondContact O-N 3.45Å; S492-I495 PolarHBondContact O-N 3.44Å; S492-C496 WeakPolarHBondContact O-CB 3.46Å; S492-C496 PolarHBondContact O-N 2.94Å; S492-C496 PolarHBondContact O-SG 2.84Å; S492-C496 VanDerWaalsContact O-SG 3.42Å; S492-N528 PolarHBondContact OG-OD1 3.49Å
493	F	93.5	Very high	91.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-57.1	-47.5	174.5	-177.2	-78.5	0	0	0	111.3	T148 I149 L152 F282 I489 G491 C496 W497 N528	T148-F493 HydrophobicContact CG2-CD2 3.94Å; T148-F493 HydrophobicContact CG2-CE2 3.72Å; I149-F493 HydrophobicContact CB-CE1 3.87Å; I149-F493 HydrophobicContact CB-CE2 4.04Å; I149-F493 HydrophobicContact CB-CZ 3.54Å; I149-F493 HydrophobicContact CD1-CD1 4.23Å; I149-F493 HydrophobicContact CD1-CE1 3.42Å; I149-F493 VanDerWaalsContact CD1-CE1 3.42Å; I149-F493 HydrophobicContact CD1-CZ 3.92Å; I149-F493 HydrophobicContact CG1-CD1 4.18Å; I149-F493 HydrophobicContact CG1-CE1 3.61Å; I149-F493 HydrophobicContact CG1-CZ 3.86Å; L152-F493 HydrophobicContact CD1-CB 3.49Å; L152-F493 VanDerWaalsContact CD1-CB 3.49Å; L152-F493 HydrophobicContact CD1-CD1 4.41Å; L152-F493 HydrophobicContact CD1-CD2 3.46Å; L152-F493 VanDerWaalsContact CD1-CD2 3.46Å; L152-F493 HydrophobicContact CD1-CE2 4.39Å; L152-F493 HydrophobicContact CD1-CG 3.51Å; F282-F493 AromaticContact CD2-CE1 3.88Å; F282-F493 HydrophobicContact CD2-CE1 3.88Å; F282-F493 HydrophobicContact CE2-CD1 4.22Å; F282-F493 AromaticContact CE2-CE1 3.65Å; F282-F493 HydrophobicContact CE2-CE1 3.65Å; I489-F493 PolarHBondContact O-N 3.32Å; G491-F493 VanDerWaalsContact C-N 3.33Å; G491-F493 PolarHBondContact O-N 3Å; F493-C496 PolarHBondContact O-N 3.18Å; F493-W497 AromaticContact CD2-CD1 3.76Å; F493-W497 HydrophobicContact CE1-CB 4.14Å; F493-W497 AromaticContact CE1-CD1 3.84Å; F493-W497 HydrophobicContact CE1-CG 4.1Å; F493-W497 AromaticContact CE2-CD1 3.45Å; F493-W497 VanDerWaalsContact CE2-CD1 3.45Å; F493-W497 HydrophobicContact CE2-CG 4.29Å; F493-W497 AromaticContact CE2-NE1 3.64Å; F493-W497 HydrophobicContact CZ-CB 4.39Å; F493-W497 AromaticContact CZ-CD1 3.47Å; F493-W497 VanDerWaalsContact CZ-CD1 3.47Å; F493-W497 AromaticContact CZ-CG 3.88Å; F493-W497 HydrophobicContact CZ-CG 3.88Å; F493-W497 AromaticContact CZ-NE1 3.96Å; F493-W497 WeakPolarHBondContact O-CB 3.35Å; F493-W497 PolarHBondContact O-N 2.75Å; F493-N528 WeakPolarHBondContact CA-OD1 3.47Å; F493-N528 WeakPolarHBondContact CD2-ND2 3.14Å; F493-N528 PolarHBondContact N-OD1 2.99Å; F493-N528 VanDerWaalsContact N-OD1 3.15Å
494	T	93.1	Very high	91.5	Very high	30 Å²	30	32.6 Å²	32.6	18%	0.184	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-49.8	-178.8	-52.2	0	0	0	0	111.4	L286 M289 L490 G491 S492 C496 L498	L286-T494 HydrophobicContact CD1-CG2 3.53Å; L286-T494 WeakPolarHBondContact CD1-OG1 3.48Å; L286-T494 HydrophobicContact CD2-CG2 4.13Å; L286-T494 HydrophobicContact CG-CG2 4.48Å; M289-T494 VanDerWaalsContact CE-OG1 3.3Å; M289-T494 WeakPolarHBondContact CE-OG1 3.28Å; L490-T494 PolarHBondContact O-N 3.21Å; L490-T494 PolarHBondContact O-OG1 3.17Å; G491-T494 WeakPolarHBondContact O-CB 3.25Å; G491-T494 PolarHBondContact O-N 2.92Å; S492-T494 VanDerWaalsContact C-N 3.31Å; S492-T494 PolarHBondContact O-N 3.45Å; T494-C496 VanDerWaalsContact C-N 3.32Å; T494-C496 PolarHBondContact O-N 3.13Å; T494-L498 WeakPolarHBondContact O-CB 3.32Å; T494-L498 PolarHBondContact O-N 2.93Å
495	I	95.1	Very high	91.4	Very high	121 Å²	121	31 Å²	31	62%	0.621	18%	0.181	S	C	*	.	H	α-helix	trans	-63.8	-39.5	-177.2	-67.7	166.2	0	0	0	111.2	G491 S492 P499	G491-I495 WeakPolarHBondContact O-CG1 3.33Å; G491-I495 PolarHBondContact O-N 3.48Å; S492-I495 PolarHBondContact O-N 3.44Å; I495-P499 VanDerWaalsContact O-CD 3.24Å; I495-P499 WeakPolarHBondContact O-CD 3.4Å
496	C	96	Very high	91.3	Very high	4 Å²	4	35 Å²	35	3%	0.027	20%	0.201	C	C	.	.	H	α-helix	trans	-73.7	-39.5	-178.2	-77.2	0	0	0	0	113.5	S492 F493 T494 L524 G525 N528	S492-C496 WeakPolarHBondContact O-CB 3.46Å; S492-C496 PolarHBondContact O-N 2.94Å; S492-C496 PolarHBondContact O-SG 2.84Å; S492-C496 VanDerWaalsContact O-SG 3.42Å; F493-C496 PolarHBondContact O-N 3.18Å; T494-C496 VanDerWaalsContact C-N 3.32Å; T494-C496 PolarHBondContact O-N 3.13Å; C496-L524 VanDerWaalsContact CB-O 3.3Å; C496-L524 WeakPolarHBondContact CB-O 3.46Å; C496-L524 PolarHBondContact SG-O 3.37Å; C496-G525 WeakPolarHBondContact O-CA 3.26Å; C496-G525 PolarHBondContact O-N 2.69Å; C496-N528 HydrophobicContact CB-CB 3.71Å
497	W	94.2	Very high	90.8	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.027	20%	0.2	C	C	.	.	H	α-helix	trans	-91.5	-26.7	-174	-80.9	100.5	0	0	0	114.4	C145 F282 F493 Y500 F501 G525 Y526	C145-W497 HydrophobicContact CB-CH2 4.33Å; C145-W497 HydrophobicContact CB-CZ2 4.4Å; C145-W497 WeakPolarHBondContact SG-CH2 3.29Å; C145-W497 WeakPolarHBondContact SG-CZ2 3.4Å; F282-W497 HydrophobicContact CD2-CB 4.13Å; F282-W497 HydrophobicContact CE2-CB 3.51Å; F282-W497 HydrophobicContact CZ-CB 4.2Å; F493-W497 AromaticContact CD2-CD1 3.76Å; F493-W497 HydrophobicContact CE1-CB 4.14Å; F493-W497 AromaticContact CE1-CD1 3.84Å; F493-W497 HydrophobicContact CE1-CG 4.1Å; F493-W497 AromaticContact CE2-CD1 3.45Å; F493-W497 VanDerWaalsContact CE2-CD1 3.45Å; F493-W497 HydrophobicContact CE2-CG 4.29Å; F493-W497 AromaticContact CE2-NE1 3.64Å; F493-W497 HydrophobicContact CZ-CB 4.39Å; F493-W497 AromaticContact CZ-CD1 3.47Å; F493-W497 VanDerWaalsContact CZ-CD1 3.47Å; F493-W497 AromaticContact CZ-CG 3.88Å; F493-W497 HydrophobicContact CZ-CG 3.88Å; F493-W497 AromaticContact CZ-NE1 3.96Å; F493-W497 WeakPolarHBondContact O-CB 3.35Å; F493-W497 PolarHBondContact O-N 2.75Å; W497-Y500 HydrophobicContact CE3-CD1 4.02Å; W497-Y500 HydrophobicContact CE3-CG 4.4Å; W497-Y500 AromaticContact CZ3-CD1 3.87Å; W497-Y500 HydrophobicContact CZ3-CD1 3.87Å; W497-Y500 HydrophobicContact CZ3-CE1 4.25Å; W497-Y500 HydrophobicContact CZ3-CG 4.26Å; W497-Y500 PolarHBondContact O-N 3.25Å; W497-Y500 VanDerWaalsContact O-N 3.13Å; W497-F501 HydrophobicContact CB-CD2 4.19Å; W497-F501 HydrophobicContact CB-CE2 4.09Å; W497-F501 HydrophobicContact CD2-CE2 4.26Å; W497-F501 HydrophobicContact CE3-CD2 4.33Å; W497-F501 AromaticContact CE3-CE2 3.68Å; W497-F501 HydrophobicContact CE3-CE2 3.68Å; W497-F501 HydrophobicContact CE3-CZ 4.38Å; W497-F501 HydrophobicContact CG-CE2 4.46Å; W497-F501 VanDerWaalsContact O-CD2 3.31Å; W497-F501 WeakPolarHBondContact O-CD2 3.45Å; W497-F501 PolarHBondContact O-N 3Å; W497-G525 WeakPolarHBondContact CZ2-O 3.37Å; W497-G525 PolarHBondContact NE1-O 2.04Å; W497-Y526 AromaticContact CH2-CD1 3.99Å; W497-Y526 HydrophobicContact CH2-CD1 3.99Å; W497-Y526 HydrophobicContact CH2-CE1 4.04Å; W497-Y526 HydrophobicContact CZ2-CD1 4.24Å
498	L	93.9	Very high	90.3	Very high	79 Å²	79	34.1 Å²	34.1	41%	0.414	20%	0.195	S	C	.	.	H	α-helix	trans	-53.1	-45.7	-178.7	178.8	68.4	0	0	0	112.7	F282 T494 Y500 F501 T502	F282-L498 HydrophobicContact CE1-CB 4.29Å; F282-L498 HydrophobicContact CE1-CD1 3.83Å; F282-L498 HydrophobicContact CZ-CB 4.05Å; F282-L498 HydrophobicContact CZ-CD1 4.39Å; T494-L498 WeakPolarHBondContact O-CB 3.32Å; T494-L498 PolarHBondContact O-N 2.93Å; L498-Y500 VanDerWaalsContact C-N 3.31Å; L498-Y500 PolarHBondContact O-N 2.92Å; L498-F501 PolarHBondContact O-N 3.46Å; L498-T502 HydrophobicContact CD1-CG2 3.83Å; L498-T502 HydrophobicContact CG-CG2 4.14Å; L498-T502 VanDerWaalsContact O-CG2 3.3Å; L498-T502 WeakPolarHBondContact O-CG2 3.46Å; L498-T502 PolarHBondContact O-N 2.81Å; L498-T502 PolarHBondContact O-OG1 2.97Å; L498-T502 VanDerWaalsContact O-OG1 3.08Å
499	P	94.3	Very high	89.8	Confident	41 Å²	41	37.2 Å²	37.2	27%	0.266	20%	0.204	S	C	.	.	H	α-helix	trans	-60	-36.6	179.3	-27.2	38.6	0	0	0	114.1	I495 T502 I503 A521 L524	I495-P499 VanDerWaalsContact O-CD 3.24Å; I495-P499 WeakPolarHBondContact O-CD 3.4Å; P499-T502 WeakPolarHBondContact CA-OG1 3.35Å; P499-T502 PolarHBondContact O-OG1 3.4Å; P499-I503 VanDerWaalsContact O-CB 3.26Å; P499-I503 WeakPolarHBondContact O-CB 3.13Å; P499-I503 WeakPolarHBondContact O-CD1 3.13Å; P499-I503 WeakPolarHBondContact O-CG1 3.45Å; P499-I503 PolarHBondContact O-N 3.16Å; P499-A521 HydrophobicContact CB-CB 4.16Å; P499-L524 HydrophobicContact CB-CD2 4.5Å; P499-L524 HydrophobicContact CG-CD2 3.92Å
500	Y	90.9	Very high	89.2	Confident	32 Å²	32	39.5 Å²	39.5	13%	0.125	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-48.5	179.4	174.9	-98.1	0	0	0	111.3	W497 L498 T502 I503 N504 T522	W497-Y500 HydrophobicContact CE3-CD1 4.02Å; W497-Y500 HydrophobicContact CE3-CG 4.4Å; W497-Y500 AromaticContact CZ3-CD1 3.87Å; W497-Y500 HydrophobicContact CZ3-CD1 3.87Å; W497-Y500 HydrophobicContact CZ3-CE1 4.25Å; W497-Y500 HydrophobicContact CZ3-CG 4.26Å; W497-Y500 PolarHBondContact O-N 3.25Å; W497-Y500 VanDerWaalsContact O-N 3.13Å; L498-Y500 VanDerWaalsContact C-N 3.31Å; L498-Y500 PolarHBondContact O-N 2.92Å; Y500-T502 PolarHBondContact O-N 3.4Å; Y500-I503 PolarHBondContact O-N 3.47Å; Y500-N504 WeakPolarHBondContact CE1-ND2 3.28Å; Y500-N504 VanDerWaalsContact CE2-ND2 3.34Å; Y500-N504 WeakPolarHBondContact CE2-ND2 3.44Å; Y500-N504 WeakPolarHBondContact O-CB 3.45Å; Y500-N504 PolarHBondContact O-N 3.32Å; Y500-N504 PolarHBondContact O-ND2 3.21Å; Y500-N504 PolarHBondContact OH-ND2 3.1Å; Y500-T522 WeakPolarHBondContact CE2-OG1 3.46Å
501	F	89.3	Confident	88.2	Confident	12 Å²	12	44 Å²	44	5%	0.053	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-38	179.2	-73.7	-73.9	0	0	0	112.1	A278 F282 W497 L498 C505	A278-F501 HydrophobicContact CB-CD1 4.45Å; F282-F501 HydrophobicContact CB-CD1 3.91Å; F282-F501 HydrophobicContact CB-CD2 3.63Å; F282-F501 HydrophobicContact CB-CE1 3.88Å; F282-F501 HydrophobicContact CB-CE2 3.6Å; F282-F501 HydrophobicContact CB-CG 3.8Å; F282-F501 HydrophobicContact CB-CZ 3.74Å; F282-F501 HydrophobicContact CD1-CB 4.11Å; F282-F501 AromaticContact CD1-CD2 3.77Å; F282-F501 HydrophobicContact CD1-CD2 3.77Å; F282-F501 HydrophobicContact CD1-CE2 4.46Å; F282-F501 AromaticContact CD1-CG 4Å; F282-F501 HydrophobicContact CD1-CG 4Å; F282-F501 AromaticContact CD2-CD2 3.45Å; F282-F501 HydrophobicContact CD2-CD2 3.45Å; F282-F501 VanDerWaalsContact CD2-CD2 3.45Å; F282-F501 AromaticContact CD2-CE2 3.41Å; F282-F501 HydrophobicContact CD2-CE2 3.41Å; F282-F501 VanDerWaalsContact CD2-CE2 3.41Å; F282-F501 HydrophobicContact CD2-CG 4.39Å; F282-F501 HydrophobicContact CD2-CZ 4.31Å; F282-F501 HydrophobicContact CE1-CD2 4.27Å; F282-F501 HydrophobicContact CE2-CD2 4Å; F282-F501 HydrophobicContact CE2-CE2 4.19Å; F282-F501 HydrophobicContact CG-CB 4.43Å; F282-F501 HydrophobicContact CG-CD1 4.43Å; F282-F501 AromaticContact CG-CD2 3.32Å; F282-F501 HydrophobicContact CG-CD2 3.32Å; F282-F501 AromaticContact CG-CE2 3.58Å; F282-F501 HydrophobicContact CG-CE2 3.58Å; F282-F501 AromaticContact CG-CG 3.81Å; F282-F501 HydrophobicContact CG-CG 3.81Å; F282-F501 HydrophobicContact CG-CZ 4.24Å; F282-F501 HydrophobicContact CZ-CD2 4.38Å; W497-F501 HydrophobicContact CB-CD2 4.19Å; W497-F501 HydrophobicContact CB-CE2 4.09Å; W497-F501 HydrophobicContact CD2-CE2 4.26Å; W497-F501 HydrophobicContact CE3-CD2 4.33Å; W497-F501 AromaticContact CE3-CE2 3.68Å; W497-F501 HydrophobicContact CE3-CE2 3.68Å; W497-F501 HydrophobicContact CE3-CZ 4.38Å; W497-F501 HydrophobicContact CG-CE2 4.46Å; W497-F501 VanDerWaalsContact O-CD2 3.31Å; W497-F501 WeakPolarHBondContact O-CD2 3.45Å; W497-F501 PolarHBondContact O-N 3Å; L498-F501 PolarHBondContact O-N 3.46Å; F501-C505 PolarHBondContact O-N 3.16Å; F501-C505 PolarHBondContact O-SG 3.11Å
502	T	91	Very high	87.4	Confident	59 Å²	59	52.7 Å²	52.7	36%	0.362	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-46.9	176.3	55.4	0	0	0	0	111.5	L498 P499 Y500 N504 C505 I506	L498-T502 HydrophobicContact CD1-CG2 3.83Å; L498-T502 HydrophobicContact CG-CG2 4.14Å; L498-T502 VanDerWaalsContact O-CG2 3.3Å; L498-T502 WeakPolarHBondContact O-CG2 3.46Å; L498-T502 PolarHBondContact O-N 2.81Å; L498-T502 PolarHBondContact O-OG1 2.97Å; L498-T502 VanDerWaalsContact O-OG1 3.08Å; P499-T502 WeakPolarHBondContact CA-OG1 3.35Å; P499-T502 PolarHBondContact O-OG1 3.4Å; Y500-T502 PolarHBondContact O-N 3.4Å; T502-N504 VanDerWaalsContact C-N 3.34Å; T502-N504 PolarHBondContact O-N 2.87Å; T502-C505 PolarHBondContact O-N 3.43Å; T502-I506 VanDerWaalsContact O-CG1 3.25Å; T502-I506 WeakPolarHBondContact O-CG1 3.46Å; T502-I506 PolarHBondContact O-N 2.94Å
503	I	87.6	Confident	86.5	Confident	33 Å²	33	53.7 Å²	53.7	17%	0.169	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-42.8	177.8	-73	169.7	0	0	0	110.8	P499 Y500 C505 I506 A507 I513 A517 I518 A521	P499-I503 VanDerWaalsContact O-CB 3.26Å; P499-I503 WeakPolarHBondContact O-CB 3.13Å; P499-I503 WeakPolarHBondContact O-CD1 3.13Å; P499-I503 WeakPolarHBondContact O-CG1 3.45Å; P499-I503 PolarHBondContact O-N 3.16Å; Y500-I503 PolarHBondContact O-N 3.47Å; I503-C505 PolarHBondContact O-N 3.33Å; I503-I506 PolarHBondContact O-N 2.78Å; I503-A507 VanDerWaalsContact O-CB 3.22Å; I503-A507 WeakPolarHBondContact O-CB 3.42Å; I503-A507 PolarHBondContact O-N 3.38Å; I503-I513 HydrophobicContact CG2-CD1 4.11Å; I503-I513 HydrophobicContact CG2-CG2 3.89Å; I503-A517 HydrophobicContact CD1-CB 4.36Å; I503-I518 HydrophobicContact CG2-CG1 3.83Å; I503-A521 HydrophobicContact CD1-CB 3.73Å
504	N	83.1	Confident	85.8	Confident	48 Å²	48	57.2 Å²	57.2	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-65.8	-37.5	177.9	-79.3	-23.5	0	0	0	113.3	Y500 T502 A507 S508	Y500-N504 WeakPolarHBondContact CE1-ND2 3.28Å; Y500-N504 VanDerWaalsContact CE2-ND2 3.34Å; Y500-N504 WeakPolarHBondContact CE2-ND2 3.44Å; Y500-N504 WeakPolarHBondContact O-CB 3.45Å; Y500-N504 PolarHBondContact O-N 3.32Å; Y500-N504 PolarHBondContact O-ND2 3.21Å; Y500-N504 PolarHBondContact OH-ND2 3.1Å; T502-N504 VanDerWaalsContact C-N 3.34Å; T502-N504 PolarHBondContact O-N 2.87Å; N504-A507 PolarHBondContact O-N 3.05Å; N504-S508 PolarHBondContact O-N 2.97Å
505	C	85.4	Confident	84.9	Confident	31 Å²	31	59 Å²	59	21%	0.209	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-51.2	170.5	-74.6	0	0	0	0	110.6	A278 F501 T502 I503 A507 S508 F509	A278-C505 WeakPolarHBondContact CB-SG 3.49Å; F501-C505 PolarHBondContact O-N 3.16Å; F501-C505 PolarHBondContact O-SG 3.11Å; T502-C505 PolarHBondContact O-N 3.43Å; I503-C505 PolarHBondContact O-N 3.33Å; C505-A507 VanDerWaalsContact C-N 3.3Å; C505-A507 PolarHBondContact O-N 3Å; C505-S508 WeakPolarHBondContact O-CB 3.38Å; C505-S508 PolarHBondContact O-N 3.09Å; C505-S508 VanDerWaalsContact O-N 3.17Å; C505-S508 PolarHBondContact O-OG 3.28Å; C505-F509 WeakPolarHBondContact O-CD2 3.27Å
506	I	87.4	Confident	84.2	Confident	92 Å²	92	57.2 Å²	57.2	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-38.1	-179.9	-62.2	164.5	0	0	0	110.9	T502 I503 S508 F509 C510 I513	T502-I506 VanDerWaalsContact O-CG1 3.25Å; T502-I506 WeakPolarHBondContact O-CG1 3.46Å; T502-I506 PolarHBondContact O-N 2.94Å; I503-I506 PolarHBondContact O-N 2.78Å; I506-S508 PolarHBondContact O-N 2.76Å; I506-S508 VanDerWaalsContact O-N 3.13Å; I506-F509 PolarHBondContact O-N 3.22Å; I506-C510 HydrophobicContact CG2-CB 4.28Å; I506-C510 PolarHBondContact O-N 3.41Å; I506-I513 HydrophobicContact CB-CD1 4.1Å; I506-I513 HydrophobicContact CG2-CD1 3.9Å
507	A	78.6	Confident	83.7	Confident	9 Å²	9	58.5 Å²	58.5	7%	0.074	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-20.2	179.6	0	0	0	0	0	113.4	I503 N504 C505 I513	I503-A507 VanDerWaalsContact O-CB 3.22Å; I503-A507 WeakPolarHBondContact O-CB 3.42Å; I503-A507 PolarHBondContact O-N 3.38Å; N504-A507 PolarHBondContact O-N 3.05Å; C505-A507 VanDerWaalsContact C-N 3.3Å; C505-A507 PolarHBondContact O-N 3Å; A507-I513 VanDerWaalsContact CA-CD1 3.45Å; A507-I513 HydrophobicContact CB-CD1 3.67Å
508	S	79.5	Confident	83.1	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.014	30%	0.303	C	S	.	.	H	α-helix	trans	-79.5	-22.7	174.5	76.8	0	0	0	0	112.6	R271 N504 C505 I506	R271-S508 WeakPolarHBondContact CG-O 3.48Å; R271-S508 PolarHBondContact NE-O 3.06Å; N504-S508 PolarHBondContact O-N 2.97Å; C505-S508 WeakPolarHBondContact O-CB 3.38Å; C505-S508 PolarHBondContact O-N 3.09Å; C505-S508 VanDerWaalsContact O-N 3.17Å; C505-S508 PolarHBondContact O-OG 3.28Å; I506-S508 PolarHBondContact O-N 2.76Å; I506-S508 VanDerWaalsContact O-N 3.13Å
509	F	83	Confident	82.7	Confident	128 Å²	128	56.2 Å²	56.2	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-101.2	-31.9	178.9	-61	-78.3	0	0	0	113.3	I275 C505 I506	I275-F509 HydrophobicContact CD1-CE2 4.4Å; I275-F509 HydrophobicContact CD1-CZ 3.76Å; I275-F509 HydrophobicContact CG1-CE2 4.48Å; I275-F509 HydrophobicContact CG1-CZ 4.32Å; C505-F509 WeakPolarHBondContact O-CD2 3.27Å; I506-F509 PolarHBondContact O-N 3.22Å
510	C	79.8	Confident	82.5	Confident	51 Å²	51	57 Å²	57	35%	0.345	30%	0.299	S	S	.	.			trans	-125	130.9	-174.9	-173.4	0	0	0	0	111.2	I506	I506-C510 HydrophobicContact CG2-CB 4.28Å; I506-C510 PolarHBondContact O-N 3.41Å
511	D	69.4	Low	82.6	Confident	103 Å²	103	55.7 Å²	55.7	55%	0.551	30%	0.295	S	S	*	.	S	Bend	trans	-85.1	-12.9	-179.7	-65.1	-46	0	0	0	113	K268 I513	K268-D511 WeakPolarHBondContact CE-OD1 3.29Å; K268-D511 VanDerWaalsContact NZ-CG 3.27Å; K268-D511 IonicContact NZ-OD1 2.7Å; K268-D511 PolarHBondContact NZ-OD1 3.36Å; K268-D511 IonicContact NZ-OD2 3.02Å; K268-D511 PolarHBondContact NZ-OD2 3.03Å; D511-I513 PolarHBondContact O-N 3.34Å
512	Y	75.3	Confident	82.6	Confident	210 Å²	210	56 Å²	56	82%	0.824	30%	0.297	S	S	*	.			trans	-94.8	49.3	-173.2	-58.8	-79.3	0	0	0	113.7
513	I	75.5	Confident	82.8	Confident	34 Å²	34	53.9 Å²	53.9	17%	0.174	28%	0.283	C	S	.	.			trans	-100.1	124.4	173.6	-59.5	-173.2	0	0	0	109.7	I503 I506 A507 D511 K515 I518	I503-I513 HydrophobicContact CG2-CD1 4.11Å; I503-I513 HydrophobicContact CG2-CG2 3.89Å; I506-I513 HydrophobicContact CB-CD1 4.1Å; I506-I513 HydrophobicContact CG2-CD1 3.9Å; A507-I513 VanDerWaalsContact CA-CD1 3.45Å; A507-I513 HydrophobicContact CB-CD1 3.67Å; D511-I513 PolarHBondContact O-N 3.34Å; I513-K515 PolarHBondContact O-N 3.41Å; I513-I518 HydrophobicContact CG2-CD1 4.17Å; I513-I518 HydrophobicContact CG2-CG1 3.89Å
514	P	80.3	Confident	83.1	Confident	75 Å²	75	55.6 Å²	55.6	49%	0.487	29%	0.292	S	S	.	.			trans	-61.6	135.1	177	23.3	-30.4	0	0	0	110.7	E516 A517 I518	P514-E516 VanDerWaalsContact CB-OE2 3.29Å; P514-E516 WeakPolarHBondContact CB-OE2 3.29Å; P514-E516 PolarHBondContact O-N 3.23Å; P514-A517 HydrophobicContact CG-CB 3.84Å; P514-A517 WeakPolarHBondContact O-CB 3.32Å; P514-A517 PolarHBondContact O-N 3.44Å; P514-I518 PolarHBondContact O-N 3.2Å
515	K	73.3	Confident	83.7	Confident	68 Å²	68	53.4 Å²	53.4	30%	0.296	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-30.3	-178.5	-71.5	171.4	178	155.4	0	111.4	D29 L30 I513 A517 I518 F519	D29-K515 HydrophobicContact CB-CD 3.96Å; D29-K515 PolarHBondContact O-NZ 2.97Å; L30-K515 HydrophobicContact CD1-CB 4.13Å; L30-K515 HydrophobicContact CD1-CD 3.98Å; L30-K515 HydrophobicContact CG-CD 4.49Å; I513-K515 PolarHBondContact O-N 3.41Å; K515-A517 VanDerWaalsContact C-N 3.28Å; K515-A517 PolarHBondContact O-N 3.28Å; K515-I518 PolarHBondContact O-N 3.49Å; K515-F519 WeakPolarHBondContact O-CB 3.26Å; K515-F519 PolarHBondContact O-N 3.37Å
516	E	80.8	Confident	84.2	Confident	83 Å²	83	52 Å²	52	39%	0.388	27%	0.27	S	S	.	.	H	α-helix	trans	-59.7	-38.5	174.5	-58.1	71.8	-157.2	0	0	111.3	F27 P514 A520	F27-E516 HydrophobicContact CE1-CG 3.95Å; F27-E516 HydrophobicContact CZ-CB 4.47Å; F27-E516 HydrophobicContact CZ-CG 4.11Å; P514-E516 VanDerWaalsContact CB-OE2 3.29Å; P514-E516 WeakPolarHBondContact CB-OE2 3.29Å; P514-E516 PolarHBondContact O-N 3.23Å; E516-A520 VanDerWaalsContact O-CB 3.26Å; E516-A520 WeakPolarHBondContact O-CB 3.12Å; E516-A520 PolarHBondContact O-N 3.08Å
517	A	84.9	Confident	84.6	Confident	32 Å²	32	51.1 Å²	51.1	26%	0.264	26%	0.264	S	S	.	.	H	α-helix	trans	-71.3	-39.7	178.1	0	0	0	0	0	112	I503 P514 K515 A520 A521	I503-A517 HydrophobicContact CD1-CB 4.36Å; P514-A517 HydrophobicContact CG-CB 3.84Å; P514-A517 WeakPolarHBondContact O-CB 3.32Å; P514-A517 PolarHBondContact O-N 3.44Å; K515-A517 VanDerWaalsContact C-N 3.28Å; K515-A517 PolarHBondContact O-N 3.28Å; A517-A520 PolarHBondContact O-N 3.31Å; A517-A521 VanDerWaalsContact O-CB 3.26Å; A517-A521 WeakPolarHBondContact O-CB 2.82Å; A517-A521 PolarHBondContact O-N 3.02Å
518	I	82.3	Confident	85.4	Confident	11 Å²	11	50.8 Å²	50.8	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-45.4	174.9	-59.9	176.4	0	0	0	109.8	K25 I503 I513 P514 K515 A521 T522	K25-I518 HydrophobicContact CB-CD1 4.31Å; K25-I518 HydrophobicContact CB-CG2 4.44Å; K25-I518 HydrophobicContact CD-CD1 3.61Å; I503-I518 HydrophobicContact CG2-CG1 3.83Å; I513-I518 HydrophobicContact CG2-CD1 4.17Å; I513-I518 HydrophobicContact CG2-CG1 3.89Å; P514-I518 PolarHBondContact O-N 3.2Å; K515-I518 PolarHBondContact O-N 3.49Å; I518-A521 PolarHBondContact O-N 3.15Å; I518-T522 WeakPolarHBondContact O-CB 3.04Å; I518-T522 PolarHBondContact O-N 3.42Å; I518-T522 PolarHBondContact O-OG1 2.9Å
519	F	86	Confident	86.2	Confident	27 Å²	27	50.9 Å²	50.9	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-50.4	176.1	-179.6	-88.7	0	0	0	111.8	F27 I64 P68 K515 A521 T522 W523	F27-F519 HydrophobicContact CD2-CB 4.32Å; F27-F519 HydrophobicContact CD2-CD1 4.45Å; F27-F519 AromaticContact CD2-CD2 3.56Å; F27-F519 HydrophobicContact CD2-CD2 3.56Å; F27-F519 AromaticContact CD2-CE2 3.83Å; F27-F519 HydrophobicContact CD2-CE2 3.83Å; F27-F519 AromaticContact CD2-CG 3.89Å; F27-F519 HydrophobicContact CD2-CG 3.89Å; F27-F519 HydrophobicContact CD2-CZ 4.41Å; F27-F519 HydrophobicContact CE2-CB 3.72Å; F27-F519 AromaticContact CE2-CD1 3.56Å; F27-F519 HydrophobicContact CE2-CD1 3.56Å; F27-F519 AromaticContact CE2-CD2 3.48Å; F27-F519 HydrophobicContact CE2-CD2 3.48Å; F27-F519 VanDerWaalsContact CE2-CD2 3.48Å; F27-F519 AromaticContact CE2-CE1 3.94Å; F27-F519 HydrophobicContact CE2-CE1 3.94Å; F27-F519 AromaticContact CE2-CE2 3.85Å; F27-F519 HydrophobicContact CE2-CE2 3.85Å; F27-F519 AromaticContact CE2-CG 3.3Å; F27-F519 HydrophobicContact CE2-CG 3.3Å; F27-F519 HydrophobicContact CE2-CZ 4.07Å; F27-F519 HydrophobicContact CZ-CB 4.41Å; F27-F519 HydrophobicContact CZ-CD1 4.37Å; F27-F519 HydrophobicContact CZ-CG 4.3Å; I64-F519 HydrophobicContact CG2-CE1 4.09Å; I64-F519 HydrophobicContact CG2-CE2 4.06Å; I64-F519 HydrophobicContact CG2-CZ 3.59Å; I64-F519 WeakPolarHBondContact O-CZ 3.37Å; P68-F519 HydrophobicContact CG-CZ 4.03Å; K515-F519 WeakPolarHBondContact O-CB 3.26Å; K515-F519 PolarHBondContact O-N 3.37Å; F519-A521 VanDerWaalsContact C-N 3.34Å; F519-A521 PolarHBondContact O-N 2.82Å; F519-T522 PolarHBondContact O-N 3.42Å; F519-W523 AromaticContact CD1-CD1 3.62Å; F519-W523 AromaticContact CD2-CD1 3.73Å; F519-W523 AromaticContact CD2-NE1 3.68Å; F519-W523 AromaticContact CE1-CD1 3.33Å; F519-W523 HydrophobicContact CE1-CG 4.22Å; F519-W523 AromaticContact CE1-NE1 3.76Å; F519-W523 AromaticContact CE2-CD1 3.47Å; F519-W523 VanDerWaalsContact CE2-CD1 3.47Å; F519-W523 AromaticContact CE2-NE1 3.08Å; F519-W523 AromaticContact CG-CD1 3.82Å; F519-W523 AromaticContact CZ-CD1 3.24Å; F519-W523 HydrophobicContact CZ-CG 4.27Å; F519-W523 AromaticContact CZ-NE1 3.12Å; F519-W523 VanDerWaalsContact O-CD1 3.3Å; F519-W523 PolarHBondContact O-N 3.02Å
520	A	89.7	Confident	86.8	Confident	57 Å²	57	45.1 Å²	45.1	47%	0.471	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-43.7	-179.9	0	0	0	0	0	111.8	E516 A517 W523 L524	E516-A520 VanDerWaalsContact O-CB 3.26Å; E516-A520 WeakPolarHBondContact O-CB 3.12Å; E516-A520 PolarHBondContact O-N 3.08Å; A517-A520 PolarHBondContact O-N 3.31Å; A520-W523 PolarHBondContact O-N 3.17Å; A520-L524 VanDerWaalsContact O-CB 3.25Å; A520-L524 WeakPolarHBondContact O-CB 3.44Å; A520-L524 PolarHBondContact O-N 3.33Å
521	A	91.6	Very high	87.6	Confident	5 Å²	5	44.4 Å²	44.4	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-38.1	177.5	0	0	0	0	0	112.6	P499 I503 A517 I518 F519 L524 G525	P499-A521 HydrophobicContact CB-CB 4.16Å; I503-A521 HydrophobicContact CD1-CB 3.73Å; A517-A521 VanDerWaalsContact O-CB 3.26Å; A517-A521 WeakPolarHBondContact O-CB 2.82Å; A517-A521 PolarHBondContact O-N 3.02Å; I518-A521 PolarHBondContact O-N 3.15Å; F519-A521 VanDerWaalsContact C-N 3.34Å; F519-A521 PolarHBondContact O-N 2.82Å; A521-L524 PolarHBondContact O-N 3.21Å; A521-G525 PolarHBondContact O-N 3.11Å
522	T	90.7	Very high	88.7	Confident	18 Å²	18	39.6 Å²	39.6	11%	0.11	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-50	175.6	-56	0	0	0	0	110.8	Y500 I518 F519 L524 G525 Y526	Y500-T522 WeakPolarHBondContact CE2-OG1 3.46Å; I518-T522 WeakPolarHBondContact O-CB 3.04Å; I518-T522 PolarHBondContact O-N 3.42Å; I518-T522 PolarHBondContact O-OG1 2.9Å; F519-T522 PolarHBondContact O-N 3.42Å; T522-L524 PolarHBondContact O-N 2.7Å; T522-G525 PolarHBondContact O-N 3.32Å; T522-Y526 HydrophobicContact CG2-CD2 4.29Å; T522-Y526 HydrophobicContact CG2-CE1 4.16Å; T522-Y526 HydrophobicContact CG2-CE2 3.71Å; T522-Y526 PolarHBondContact O-N 3.02Å
523	W	94	Very high	89.4	Confident	15 Å²	15	29.9 Å²	29.9	6%	0.057	17%	0.167	C	C	.	.	H	α-helix	trans	-69.8	-30.2	179.6	-78.3	101.2	0	0	0	113.6	P68 I71 M115 N118 I119 F519 A520 Y526 F527	P68-W523 HydrophobicContact CB-CD2 4.05Å; P68-W523 HydrophobicContact CB-CE3 3.91Å; P68-W523 HydrophobicContact CB-CH2 3.39Å; P68-W523 HydrophobicContact CB-CZ2 3.47Å; P68-W523 VanDerWaalsContact CB-CZ2 3.47Å; P68-W523 HydrophobicContact CB-CZ3 3.58Å; P68-W523 HydrophobicContact CG-CD2 3.67Å; P68-W523 VanDerWaalsContact CG-CE2 3.47Å; P68-W523 HydrophobicContact CG-CE3 3.98Å; P68-W523 HydrophobicContact CG-CG 4.28Å; P68-W523 HydrophobicContact CG-CH2 4.06Å; P68-W523 HydrophobicContact CG-CZ2 3.69Å; P68-W523 HydrophobicContact CG-CZ3 4.15Å; I71-W523 HydrophobicContact CD1-CE3 3.95Å; M115-W523 HydrophobicContact CB-CH2 4.4Å; N118-W523 HydrophobicContact CB-CZ2 4.33Å; I119-W523 HydrophobicContact CD1-CH2 3.92Å; I119-W523 HydrophobicContact CG1-CH2 3.63Å; I119-W523 HydrophobicContact CG1-CZ2 3.83Å; F519-W523 AromaticContact CD1-CD1 3.62Å; F519-W523 AromaticContact CD2-CD1 3.73Å; F519-W523 AromaticContact CD2-NE1 3.68Å; F519-W523 AromaticContact CE1-CD1 3.33Å; F519-W523 HydrophobicContact CE1-CG 4.22Å; F519-W523 AromaticContact CE1-NE1 3.76Å; F519-W523 AromaticContact CE2-CD1 3.47Å; F519-W523 VanDerWaalsContact CE2-CD1 3.47Å; F519-W523 AromaticContact CE2-NE1 3.08Å; F519-W523 AromaticContact CG-CD1 3.82Å; F519-W523 AromaticContact CZ-CD1 3.24Å; F519-W523 HydrophobicContact CZ-CG 4.27Å; F519-W523 AromaticContact CZ-NE1 3.12Å; F519-W523 VanDerWaalsContact O-CD1 3.3Å; F519-W523 PolarHBondContact O-N 3.02Å; A520-W523 PolarHBondContact O-N 3.17Å; W523-Y526 HydrophobicContact CD2-CD2 4.11Å; W523-Y526 AromaticContact CE3-CD2 3.88Å; W523-Y526 HydrophobicContact CE3-CD2 3.88Å; W523-Y526 HydrophobicContact CH2-CD2 4.19Å; W523-Y526 HydrophobicContact CZ2-CD2 4.46Å; W523-Y526 AromaticContact CZ3-CD2 3.94Å; W523-Y526 HydrophobicContact CZ3-CD2 3.94Å; W523-Y526 PolarHBondContact O-N 2.88Å; W523-F527 WeakPolarHBondContact O-CB 3.49Å; W523-F527 PolarHBondContact O-N 3.42Å
524	L	95.2	Very high	90.3	Very high	69 Å²	69	31.8 Å²	31.8	36%	0.361	18%	0.177	S	C	.	.	H	α-helix	trans	-64.3	-41.5	170.1	-179.1	64.1	0	0	0	111.4	C496 P499 A520 A521 T522 F527	C496-L524 VanDerWaalsContact CB-O 3.3Å; C496-L524 WeakPolarHBondContact CB-O 3.46Å; C496-L524 PolarHBondContact SG-O 3.37Å; P499-L524 HydrophobicContact CB-CD2 4.5Å; P499-L524 HydrophobicContact CG-CD2 3.92Å; A520-L524 VanDerWaalsContact O-CB 3.25Å; A520-L524 WeakPolarHBondContact O-CB 3.44Å; A520-L524 PolarHBondContact O-N 3.33Å; A521-L524 PolarHBondContact O-N 3.21Å; T522-L524 PolarHBondContact O-N 2.7Å; L524-F527 WeakPolarHBondContact O-CB 3.3Å; L524-F527 PolarHBondContact O-N 2.98Å
525	G	94.7	Very high	90.8	Very high	1 Å²	1	29 Å²	29	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-47	171.6	0	0	0	0	0	111.9	C496 W497 A521 T522 F527 N528	C496-G525 WeakPolarHBondContact O-CA 3.26Å; C496-G525 PolarHBondContact O-N 2.69Å; W497-G525 WeakPolarHBondContact CZ2-O 3.37Å; W497-G525 PolarHBondContact NE1-O 2.04Å; A521-G525 PolarHBondContact O-N 3.11Å; T522-G525 PolarHBondContact O-N 3.32Å; G525-F527 VanDerWaalsContact C-N 3.32Å; G525-F527 PolarHBondContact O-N 2.93Å; G525-N528 WeakPolarHBondContact O-CB 3.32Å; G525-N528 PolarHBondContact O-N 3.47Å; G525-N528 VanDerWaalsContact O-N 3.14Å
526	Y	96.1	Very high	91.5	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-62.5	-36.6	177	-68.9	-8.3	0	0	0	113.1	F110 M115 N118 D141 W497 T522 W523 N528 A529	F110-Y526 HydrophobicContact CE1-CD1 4.12Å; F110-Y526 HydrophobicContact CE2-CE1 4.17Å; F110-Y526 AromaticContact CZ-CD1 3.6Å; F110-Y526 HydrophobicContact CZ-CD1 3.6Å; F110-Y526 AromaticContact CZ-CE1 3.56Å; F110-Y526 HydrophobicContact CZ-CE1 3.56Å; M115-Y526 HydrophobicContact CE-CD1 4.22Å; M115-Y526 HydrophobicContact CE-CG 3.94Å; M115-Y526 WeakPolarHBondContact CE-O 3.37Å; M115-Y526 HydrophobicContact CG-CD2 3.88Å; M115-Y526 HydrophobicContact CG-CE2 4.3Å; M115-Y526 HydrophobicContact CG-CG 4.03Å; M115-Y526 HydrophobicContact SD-CG 4.36Å; N118-Y526 HydrophobicContact CB-CE2 4.37Å; N118-Y526 PolarHBondContact ND2-OH 3.13Å; D141-Y526 VanDerWaalsContact CG-OH 3.28Å; D141-Y526 WeakPolarHBondContact OD1-CE1 3.43Å; D141-Y526 PolarHBondContact OD2-OH 3.45Å; W497-Y526 AromaticContact CH2-CD1 3.99Å; W497-Y526 HydrophobicContact CH2-CD1 3.99Å; W497-Y526 HydrophobicContact CH2-CE1 4.04Å; W497-Y526 HydrophobicContact CZ2-CD1 4.24Å; T522-Y526 HydrophobicContact CG2-CD2 4.29Å; T522-Y526 HydrophobicContact CG2-CE1 4.16Å; T522-Y526 HydrophobicContact CG2-CE2 3.71Å; T522-Y526 PolarHBondContact O-N 3.02Å; W523-Y526 HydrophobicContact CD2-CD2 4.11Å; W523-Y526 AromaticContact CE3-CD2 3.88Å; W523-Y526 HydrophobicContact CE3-CD2 3.88Å; W523-Y526 HydrophobicContact CH2-CD2 4.19Å; W523-Y526 HydrophobicContact CZ2-CD2 4.46Å; W523-Y526 AromaticContact CZ3-CD2 3.94Å; W523-Y526 HydrophobicContact CZ3-CD2 3.94Å; W523-Y526 PolarHBondContact O-N 2.88Å; Y526-N528 PolarHBondContact O-N 3.46Å; Y526-N528 VanDerWaalsContact O-N 3.1Å; Y526-A529 WeakPolarHBondContact O-CB 3.11Å; Y526-A529 PolarHBondContact O-N 3.08Å
527	F	96.2	Very high	91.8	Very high	75 Å²	75	23.9 Å²	23.9	33%	0.329	14%	0.138	S	C	.	.	H	α-helix	trans	-58.5	-24.7	176.3	-178.6	-117.7	0	0	0	113.2	I71 W523 L524 G525 A529 C530 L531	I71-F527 HydrophobicContact CD1-CB 4.38Å; I71-F527 HydrophobicContact CG1-CD2 4.16Å; W523-F527 WeakPolarHBondContact O-CB 3.49Å; W523-F527 PolarHBondContact O-N 3.42Å; L524-F527 WeakPolarHBondContact O-CB 3.3Å; L524-F527 PolarHBondContact O-N 2.98Å; G525-F527 VanDerWaalsContact C-N 3.32Å; G525-F527 PolarHBondContact O-N 2.93Å; F527-A529 PolarHBondContact O-N 3.42Å; F527-C530 HydrophobicContact CD2-CB 4.08Å; F527-C530 HydrophobicContact CE2-CB 4.17Å; F527-C530 VanDerWaalsContact O-CB 3.26Å; F527-C530 WeakPolarHBondContact O-CB 3.46Å; F527-C530 PolarHBondContact O-N 3.21Å; F527-L531 HydrophobicContact CD1-CD1 3.85Å; F527-L531 HydrophobicContact CD1-CD2 4.37Å; F527-L531 HydrophobicContact CD1-CG 3.91Å; F527-L531 HydrophobicContact CE1-CD1 3.76Å; F527-L531 HydrophobicContact CE1-CD2 3.55Å; F527-L531 HydrophobicContact CE1-CG 3.6Å; F527-L531 HydrophobicContact CZ-CD2 3.74Å; F527-L531 HydrophobicContact CZ-CG 4.07Å; F527-L531 PolarHBondContact O-N 3.02Å; F527-L531 VanDerWaalsContact O-N 3.16Å
528	N	95.6	Very high	92	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-57.2	-34	174.5	-176.2	62	0	0	0	113.6	S492 F493 C496 G525 Y526 C530 L531 N532	S492-N528 PolarHBondContact OG-OD1 3.49Å; F493-N528 WeakPolarHBondContact CA-OD1 3.47Å; F493-N528 WeakPolarHBondContact CD2-ND2 3.14Å; F493-N528 PolarHBondContact N-OD1 2.99Å; F493-N528 VanDerWaalsContact N-OD1 3.15Å; C496-N528 HydrophobicContact CB-CB 3.71Å; G525-N528 WeakPolarHBondContact O-CB 3.32Å; G525-N528 PolarHBondContact O-N 3.47Å; G525-N528 VanDerWaalsContact O-N 3.14Å; Y526-N528 PolarHBondContact O-N 3.46Å; Y526-N528 VanDerWaalsContact O-N 3.1Å; N528-C530 PolarHBondContact O-N 2.94Å; N528-L531 PolarHBondContact O-N 3.28Å; N528-L531 VanDerWaalsContact O-N 3.16Å; N528-N532 PolarHBondContact O-N 3.38Å; N528-N532 VanDerWaalsContact O-N 3.12Å; N528-N532 PolarHBondContact O-ND2 3.43Å
529	A	96.5	Very high	92.2	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-31.8	177.4	0	0	0	0	0	112.1	T75 N79 N107 F110 M115 Y526 F527	T75-A529 HydrophobicContact CG2-CB 3.67Å; N79-A529 PolarHBondContact ND2-O 2.92Å; N107-A529 HydrophobicContact CB-CB 4.13Å; F110-A529 HydrophobicContact CD1-CB 4.44Å; M115-A529 HydrophobicContact CE-CB 3.81Å; Y526-A529 WeakPolarHBondContact O-CB 3.11Å; Y526-A529 PolarHBondContact O-N 3.08Å; F527-A529 PolarHBondContact O-N 3.42Å
530	C	95.8	Very high	92.1	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.054	17%	0.169	C	C	.	.	H	α-helix	trans	-72.9	-47.1	172.6	-171.7	0	0	0	0	111.4	T75 F527 N528 N532 S533 L534	T75-C530 WeakPolarHBondContact OG1-CB 3.4Å; F527-C530 HydrophobicContact CD2-CB 4.08Å; F527-C530 HydrophobicContact CE2-CB 4.17Å; F527-C530 VanDerWaalsContact O-CB 3.26Å; F527-C530 WeakPolarHBondContact O-CB 3.46Å; F527-C530 PolarHBondContact O-N 3.21Å; N528-C530 PolarHBondContact O-N 2.94Å; C530-N532 VanDerWaalsContact C-N 3.28Å; C530-N532 PolarHBondContact O-N 2.8Å; C530-S533 PolarHBondContact O-N 2.96Å; C530-L534 PolarHBondContact O-N 2.96Å
531	L	95.4	Very high	91.7	Very high	36 Å²	36	30.7 Å²	30.7	19%	0.188	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-36.9	-177.8	-71.2	179.1	0	0	0	113.1	F527 N528 S533 L534 V535	F527-L531 HydrophobicContact CD1-CD1 3.85Å; F527-L531 HydrophobicContact CD1-CD2 4.37Å; F527-L531 HydrophobicContact CD1-CG 3.91Å; F527-L531 HydrophobicContact CE1-CD1 3.76Å; F527-L531 HydrophobicContact CE1-CD2 3.55Å; F527-L531 HydrophobicContact CE1-CG 3.6Å; F527-L531 HydrophobicContact CZ-CD2 3.74Å; F527-L531 HydrophobicContact CZ-CG 4.07Å; F527-L531 PolarHBondContact O-N 3.02Å; F527-L531 VanDerWaalsContact O-N 3.16Å; N528-L531 PolarHBondContact O-N 3.28Å; N528-L531 VanDerWaalsContact O-N 3.16Å; L531-S533 VanDerWaalsContact C-N 3.31Å; L531-S533 PolarHBondContact O-N 3.43Å; L531-L534 PolarHBondContact O-N 3.23Å; L531-L534 VanDerWaalsContact O-N 3.17Å; L531-V535 WeakPolarHBondContact O-CB 3.48Å; L531-V535 VanDerWaalsContact O-CG2 3.26Å; L531-V535 WeakPolarHBondContact O-CG2 3.03Å; L531-V535 PolarHBondContact O-N 2.7Å
532	N	91.9	Very high	91.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.011	19%	0.185	C	C	.	.	H	α-helix	trans	-52	-47.4	178.8	-72.5	-35.7	0	0	0	112.9	N107 N528 C530 Y536	N107-N532 PolarHBondContact ND2-ND2 3.4Å; N528-N532 PolarHBondContact O-N 3.38Å; N528-N532 VanDerWaalsContact O-N 3.12Å; N528-N532 PolarHBondContact O-ND2 3.43Å; C530-N532 VanDerWaalsContact C-N 3.28Å; C530-N532 PolarHBondContact O-N 2.8Å; N532-Y536 WeakPolarHBondContact O-CB 3.19Å; N532-Y536 PolarHBondContact O-N 2.71Å
533	S	91.9	Very high	90.9	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-73.3	-41.9	178.7	-178	0	0	0	0	111.8	G78 C530 L531 Y536 S537	G78-S533 PolarHBondContact O-OG 3.44Å; C530-S533 PolarHBondContact O-N 2.96Å; L531-S533 VanDerWaalsContact C-N 3.31Å; L531-S533 PolarHBondContact O-N 3.43Å; S533-Y536 PolarHBondContact O-N 3.04Å; S533-S537 VanDerWaalsContact O-CB 3.28Å; S533-S537 WeakPolarHBondContact O-CB 3.31Å; S533-S537 PolarHBondContact O-N 3.11Å; S533-S537 PolarHBondContact O-OG 2.95Å
534	L	92.5	Very high	90.6	Very high	73 Å²	73	40.7 Å²	40.7	38%	0.382	21%	0.205	S	C	.	.	H	α-helix	trans	-61.6	-52.6	-180	-72.7	172.9	0	0	0	111.4	C530 L531 Y536 S537 L538	C530-L534 PolarHBondContact O-N 2.96Å; L531-L534 PolarHBondContact O-N 3.23Å; L531-L534 VanDerWaalsContact O-N 3.17Å; L534-Y536 VanDerWaalsContact C-N 3.33Å; L534-Y536 PolarHBondContact O-N 2.78Å; L534-S537 PolarHBondContact O-N 3.1Å; L534-S537 VanDerWaalsContact O-N 3.13Å; L534-S537 PolarHBondContact O-OG 2.91Å; L534-L538 WeakPolarHBondContact O-CB 3.18Å; L534-L538 VanDerWaalsContact O-CG 3.3Å; L534-L538 WeakPolarHBondContact O-CG 3.35Å; L534-L538 PolarHBondContact O-N 3.47Å
535	V	92.1	Very high	90	Very high	17 Å²	17	42.7 Å²	42.7	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-45.8	179.5	173.4	0	0	0	0	110.8	V488 I489 L531 S537 L538 L539	V488-V535 HydrophobicContact CB-CG1 3.85Å; V488-V535 HydrophobicContact CG1-CG1 3.52Å; V488-V535 HydrophobicContact CG1-CG2 4.13Å; I489-V535 HydrophobicContact CD1-CG1 4.47Å; I489-V535 HydrophobicContact CG1-CB 4.06Å; I489-V535 HydrophobicContact CG1-CG1 3.55Å; L531-V535 WeakPolarHBondContact O-CB 3.48Å; L531-V535 VanDerWaalsContact O-CG2 3.26Å; L531-V535 WeakPolarHBondContact O-CG2 3.03Å; L531-V535 PolarHBondContact O-N 2.7Å; V535-S537 VanDerWaalsContact C-N 3.34Å; V535-S537 PolarHBondContact O-N 3.09Å; V535-L538 PolarHBondContact O-N 3.05Å; V535-L539 HydrophobicContact CG1-CD1 3.64Å; V535-L539 HydrophobicContact CG1-CG 4.34Å; V535-L539 WeakPolarHBondContact O-CB 3.33Å; V535-L539 WeakPolarHBondContact O-CG 3.47Å; V535-L539 PolarHBondContact O-N 3.38Å
536	Y	88	Confident	89.5	Confident	14 Å²	14	42.9 Å²	42.9	6%	0.055	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-43.2	177.4	-168.9	-97.8	0	0	0	111.6	F100 T485 I489 N532 S533 L534 L538 N540 F543	F100-Y536 HydrophobicContact CD1-CD1 4.28Å; F100-Y536 AromaticContact CD1-CE1 3.93Å; F100-Y536 HydrophobicContact CD1-CE1 3.93Å; F100-Y536 HydrophobicContact CD1-CE2 4.47Å; F100-Y536 HydrophobicContact CD2-CD1 4.42Å; F100-Y536 AromaticContact CD2-CD2 3.85Å; F100-Y536 HydrophobicContact CD2-CD2 3.85Å; F100-Y536 HydrophobicContact CD2-CE2 4.09Å; F100-Y536 HydrophobicContact CD2-CG 4.01Å; F100-Y536 AromaticContact CE1-CD1 3.55Å; F100-Y536 HydrophobicContact CE1-CD1 3.55Å; F100-Y536 AromaticContact CE1-CE1 3.54Å; F100-Y536 HydrophobicContact CE1-CE1 3.54Å; F100-Y536 HydrophobicContact CE1-CG 4.09Å; F100-Y536 AromaticContact CE2-CD1 3.72Å; F100-Y536 HydrophobicContact CE2-CD1 3.72Å; F100-Y536 AromaticContact CE2-CD2 3.67Å; F100-Y536 HydrophobicContact CE2-CD2 3.67Å; F100-Y536 HydrophobicContact CE2-CE1 4.28Å; F100-Y536 HydrophobicContact CE2-CE2 4.26Å; F100-Y536 AromaticContact CE2-CG 3.35Å; F100-Y536 HydrophobicContact CE2-CG 3.35Å; F100-Y536 HydrophobicContact CG-CD2 4.4Å; F100-Y536 HydrophobicContact CG-CE1 4.45Å; F100-Y536 HydrophobicContact CG-CE2 4.2Å; F100-Y536 AromaticContact CZ-CD1 3.23Å; F100-Y536 HydrophobicContact CZ-CD1 3.23Å; F100-Y536 HydrophobicContact CZ-CD2 4.08Å; F100-Y536 AromaticContact CZ-CE1 3.74Å; F100-Y536 HydrophobicContact CZ-CE1 3.74Å; F100-Y536 AromaticContact CZ-CG 3.4Å; F100-Y536 HydrophobicContact CZ-CG 3.4Å; T485-Y536 HydrophobicContact CG2-CD2 4.3Å; I489-Y536 HydrophobicContact CD1-CD2 4.26Å; N532-Y536 WeakPolarHBondContact O-CB 3.19Å; N532-Y536 PolarHBondContact O-N 2.71Å; S533-Y536 PolarHBondContact O-N 3.04Å; L534-Y536 VanDerWaalsContact C-N 3.33Å; L534-Y536 PolarHBondContact O-N 2.78Å; Y536-L538 PolarHBondContact O-N 2.98Å; Y536-N540 HydrophobicContact CD1-CB 4.43Å; Y536-N540 HydrophobicContact CE1-CB 4.36Å; Y536-N540 HydrophobicContact CE2-CB 4.46Å; Y536-N540 WeakPolarHBondContact O-CB 3.42Å; Y536-N540 PolarHBondContact O-N 3.01Å; Y536-N540 PolarHBondContact OH-ND2 3.33Å; Y536-F543 HydrophobicContact CD1-CB 4.3Å; Y536-F543 AromaticContact CD1-CD2 3.81Å; Y536-F543 HydrophobicContact CD1-CD2 3.81Å; Y536-F543 HydrophobicContact CD1-CE2 4.28Å; Y536-F543 HydrophobicContact CD1-CG 4.02Å; Y536-F543 HydrophobicContact CE1-CB 4.05Å; Y536-F543 AromaticContact CE1-CD2 3.58Å; Y536-F543 HydrophobicContact CE1-CD2 3.58Å; Y536-F543 HydrophobicContact CE1-CE2 4.31Å; Y536-F543 HydrophobicContact CE1-CG 4.01Å
537	S	87.1	Confident	88.9	Confident	30 Å²	30	44.1 Å²	44.1	21%	0.21	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-35.6	-179.5	73.9	0	0	0	0	113.9	S533 L534 V535 F543	S533-S537 VanDerWaalsContact O-CB 3.28Å; S533-S537 WeakPolarHBondContact O-CB 3.31Å; S533-S537 PolarHBondContact O-N 3.11Å; S533-S537 PolarHBondContact O-OG 2.95Å; L534-S537 PolarHBondContact O-N 3.1Å; L534-S537 VanDerWaalsContact O-N 3.13Å; L534-S537 PolarHBondContact O-OG 2.91Å; V535-S537 VanDerWaalsContact C-N 3.34Å; V535-S537 PolarHBondContact O-N 3.09Å; S537-F543 VanDerWaalsContact CA-CD1 3.48Å; S537-F543 VanDerWaalsContact CB-CE1 3.47Å
538	L	88.5	Confident	88.4	Confident	120 Å²	120	42.4 Å²	42.4	63%	0.628	22%	0.223	S	C	*	.	H	α-helix	trans	-80.7	-40.4	-177.8	-68.5	172.9	0	0	0	112.4	L534 V535 Y536	L534-L538 WeakPolarHBondContact O-CB 3.18Å; L534-L538 VanDerWaalsContact O-CG 3.3Å; L534-L538 WeakPolarHBondContact O-CG 3.35Å; L534-L538 PolarHBondContact O-N 3.47Å; V535-L538 PolarHBondContact O-N 3.05Å; Y536-L538 PolarHBondContact O-N 2.98Å
539	L	87.2	Confident	87.8	Confident	58 Å²	58	47.5 Å²	47.5	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-92	-27.2	-172.9	-59.6	-178.4	0	0	0	113.4	T485 V488 V535 N541	T485-L539 HydrophobicContact CG2-CB 3.88Å; T485-L539 HydrophobicContact CG2-CD1 4.37Å; T485-L539 WeakPolarHBondContact OG1-CB 3.26Å; V488-L539 HydrophobicContact CB-CD1 3.79Å; V488-L539 HydrophobicContact CG1-CD1 4.05Å; V488-L539 HydrophobicContact CG2-CD1 3.76Å; V535-L539 HydrophobicContact CG1-CD1 3.64Å; V535-L539 HydrophobicContact CG1-CG 4.34Å; V535-L539 WeakPolarHBondContact O-CB 3.33Å; V535-L539 WeakPolarHBondContact O-CG 3.47Å; V535-L539 PolarHBondContact O-N 3.38Å; L539-N541 PolarHBondContact O-N 3.01Å
540	N	83.8	Confident	87.1	Confident	29 Å²	29	49.5 Å²	49.5	16%	0.155	26%	0.255	C	S	.	.			trans	-84.5	101.4	178.9	-170.8	-26.3	0	0	0	111	Y536 N542 F543 R544	Y536-N540 HydrophobicContact CD1-CB 4.43Å; Y536-N540 HydrophobicContact CE1-CB 4.36Å; Y536-N540 HydrophobicContact CE2-CB 4.46Å; Y536-N540 WeakPolarHBondContact O-CB 3.42Å; Y536-N540 PolarHBondContact O-N 3.01Å; Y536-N540 PolarHBondContact OH-ND2 3.33Å; N540-N542 PolarHBondContact O-N 3.47Å; N540-N542 WeakPolarHBondContact OD1-CB 3.47Å; N540-N542 PolarHBondContact OD1-N 2.93Å; N540-F543 HydrophobicContact CB-CB 3.83Å; N540-F543 WeakPolarHBondContact O-CB 3.36Å; N540-F543 PolarHBondContact O-N 3.5Å; N540-F543 VanDerWaalsContact O-N 3.1Å; N540-F543 PolarHBondContact OD1-N 3.36Å; N540-R544 PolarHBondContact O-N 2.91Å
541	N	81	Confident	86.5	Confident	62 Å²	62	54.4 Å²	54.4	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-52.7	-40	177.9	-82	3	0	0	0	113.7	K481 L539 R544 M545	K481-N541 PolarHBondContact NZ-ND2 3.28Å; K481-N541 PolarHBondContact NZ-OD1 3.45Å; L539-N541 PolarHBondContact O-N 3.01Å; N541-R544 PolarHBondContact O-N 3.44Å; N541-M545 WeakPolarHBondContact O-CB 3.45Å; N541-M545 PolarHBondContact O-N 2.95Å
542	N	79.9	Confident	85.9	Confident	98 Å²	98	56.8 Å²	56.8	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-45.9	-179	-67	-24.3	0	0	0	109.5	L92 N540 R544 M545 S546	L92-N542 HydrophobicContact CD2-CB 3.79Å; N540-N542 PolarHBondContact O-N 3.47Å; N540-N542 WeakPolarHBondContact OD1-CB 3.47Å; N540-N542 PolarHBondContact OD1-N 2.93Å; N542-R544 PolarHBondContact O-N 2.92Å; N542-M545 PolarHBondContact O-N 3.27Å; N542-S546 PolarHBondContact O-N 3.37Å; N542-S546 PolarHBondContact O-OG 3.11Å
543	F	85.3	Confident	85.2	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-47.3	175.6	-173	-82.4	0	0	0	112.2	A82 V85 V86 L92 Y536 S537 N540 M545 S546 C547	A82-F543 HydrophobicContact CB-CE2 4.25Å; A82-F543 HydrophobicContact CB-CZ 4.21Å; V85-F543 HydrophobicContact CB-CD2 4.24Å; V85-F543 HydrophobicContact CB-CE2 3.57Å; V85-F543 HydrophobicContact CB-CZ 3.81Å; V85-F543 HydrophobicContact CG1-CD2 3.7Å; V85-F543 HydrophobicContact CG1-CE1 4.44Å; V85-F543 HydrophobicContact CG1-CE2 3.54Å; V85-F543 HydrophobicContact CG1-CG 4.26Å; V85-F543 HydrophobicContact CG1-CZ 3.94Å; V85-F543 HydrophobicContact CG2-CE2 4.21Å; V85-F543 HydrophobicContact CG2-CZ 3.92Å; V86-F543 HydrophobicContact CG2-CD2 4.11Å; V86-F543 HydrophobicContact CG2-CE2 4.1Å; L92-F543 HydrophobicContact CD1-CB 4.46Å; L92-F543 HydrophobicContact CD1-CD2 4.14Å; Y536-F543 HydrophobicContact CD1-CB 4.3Å; Y536-F543 AromaticContact CD1-CD2 3.81Å; Y536-F543 HydrophobicContact CD1-CD2 3.81Å; Y536-F543 HydrophobicContact CD1-CE2 4.28Å; Y536-F543 HydrophobicContact CD1-CG 4.02Å; Y536-F543 HydrophobicContact CE1-CB 4.05Å; Y536-F543 AromaticContact CE1-CD2 3.58Å; Y536-F543 HydrophobicContact CE1-CD2 3.58Å; Y536-F543 HydrophobicContact CE1-CE2 4.31Å; Y536-F543 HydrophobicContact CE1-CG 4.01Å; S537-F543 VanDerWaalsContact CA-CD1 3.48Å; S537-F543 VanDerWaalsContact CB-CE1 3.47Å; N540-F543 HydrophobicContact CB-CB 3.83Å; N540-F543 WeakPolarHBondContact O-CB 3.36Å; N540-F543 PolarHBondContact O-N 3.5Å; N540-F543 VanDerWaalsContact O-N 3.1Å; N540-F543 PolarHBondContact OD1-N 3.36Å; F543-M545 VanDerWaalsContact C-N 3.29Å; F543-M545 PolarHBondContact O-N 3Å; F543-S546 WeakPolarHBondContact O-CB 3.34Å; F543-S546 PolarHBondContact O-N 3.32Å; F543-S546 VanDerWaalsContact O-N 3.14Å; F543-C547 HydrophobicContact CE1-CB 4.42Å; F543-C547 WeakPolarHBondContact O-CB 3.17Å; F543-C547 PolarHBondContact O-N 3.22Å
544	R	87.2	Confident	84.5	Confident	146 Å²	146	66 Å²	66	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-58.6	-42.5	177.8	-170.6	177.2	70.2	-176.7	5.5	111.7	N540 N541 N542 C547 A548	N540-R544 PolarHBondContact O-N 2.91Å; N541-R544 PolarHBondContact O-N 3.44Å; N542-R544 PolarHBondContact O-N 2.92Å; R544-C547 PolarHBondContact O-N 3.15Å; R544-A548 WeakPolarHBondContact O-CB 3.48Å; R544-A548 PolarHBondContact O-N 3.1Å
545	M	83.3	Confident	83.7	Confident	111 Å²	111	67.3 Å²	67.3	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-41	176.5	-172.9	60.7	66	0	0	111.8	N541 N542 F543 A548 K549	N541-M545 WeakPolarHBondContact O-CB 3.45Å; N541-M545 PolarHBondContact O-N 2.95Å; N542-M545 PolarHBondContact O-N 3.27Å; F543-M545 VanDerWaalsContact C-N 3.29Å; F543-M545 PolarHBondContact O-N 3Å; M545-A548 PolarHBondContact O-N 3.41Å; M545-K549 VanDerWaalsContact O-CG 3.29Å; M545-K549 WeakPolarHBondContact O-CG 3.17Å; M545-K549 PolarHBondContact O-N 3.41Å
546	S	84.4	Confident	82.8	Confident	5 Å²	5	72.7 Å²	72.7	4%	0.035	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-42.2	175.3	-52.4	0	0	0	0	112.1	D89 L92 N542 F543 K549 L550	D89-S546 WeakPolarHBondContact OD2-CB 3.21Å; D89-S546 PolarHBondContact OD2-OG 2.94Å; L92-S546 WeakPolarHBondContact CD1-OG 3.48Å; N542-S546 PolarHBondContact O-N 3.37Å; N542-S546 PolarHBondContact O-OG 3.11Å; F543-S546 WeakPolarHBondContact O-CB 3.34Å; F543-S546 PolarHBondContact O-N 3.32Å; F543-S546 VanDerWaalsContact O-N 3.14Å; S546-K549 PolarHBondContact O-N 3.27Å; S546-L550 WeakPolarHBondContact O-CG 3.36Å; S546-L550 PolarHBondContact O-N 3.46Å
547	C	84.5	Confident	82.1	Confident	26 Å²	26	74.9 Å²	74.9	18%	0.176	38%	0.379	C	S	.	.	H	α-helix	trans	-64.3	-45.9	175.4	-169.2	0	0	0	0	111.2	F543 R544 K549 L550 L551	F543-C547 HydrophobicContact CE1-CB 4.42Å; F543-C547 WeakPolarHBondContact O-CB 3.17Å; F543-C547 PolarHBondContact O-N 3.22Å; R544-C547 PolarHBondContact O-N 3.15Å; C547-K549 VanDerWaalsContact C-N 3.34Å; C547-K549 PolarHBondContact O-N 2.02Å; C547-L550 WeakPolarHBondContact O-CB 3.1Å; C547-L550 PolarHBondContact O-N 3.4Å; C547-L550 VanDerWaalsContact O-N 3.11Å; C547-L551 WeakPolarHBondContact O-CG 3.48Å; C547-L551 PolarHBondContact O-N 3.03Å
548	A	84.1	Confident	81.6	Confident	40 Å²	40	79.7 Å²	79.7	33%	0.331	39%	0.392	S	S	.	.	H	α-helix	trans	-59.2	-43.5	175.2	0	0	0	0	0	111.9	R544 M545 L550 L551 C552	R544-A548 WeakPolarHBondContact O-CB 3.48Å; R544-A548 PolarHBondContact O-N 3.1Å; M545-A548 PolarHBondContact O-N 3.41Å; A548-L550 VanDerWaalsContact C-N 3.31Å; A548-L550 PolarHBondContact O-N 3.45Å; A548-L551 PolarHBondContact O-N 3.26Å; A548-C552 WeakPolarHBondContact O-CB 3.49Å; A548-C552 PolarHBondContact O-N 3.03Å; A548-C552 PolarHBondContact O-SG 2.64Å
549	K	82.5	Confident	80.8	Confident	109 Å²	109	78.1 Å²	78.1	47%	0.474	38%	0.381	S	S	.	.	H	α-helix	trans	-59.2	-41	174.2	-75.4	172.3	-177.2	175.7	0	112.4	M545 S546 C547 A553	M545-K549 VanDerWaalsContact O-CG 3.29Å; M545-K549 WeakPolarHBondContact O-CG 3.17Å; M545-K549 PolarHBondContact O-N 3.41Å; S546-K549 PolarHBondContact O-N 3.27Å; C547-K549 VanDerWaalsContact C-N 3.34Å; C547-K549 PolarHBondContact O-N 2.02Å; K549-A553 WeakPolarHBondContact O-CB 2.83Å; K549-A553 PolarHBondContact O-N 3.24Å
550	L	82.5	Confident	80	Confident	44 Å²	44	79.8 Å²	79.8	23%	0.23	38%	0.384	C	S	.	.	H	α-helix	trans	-65.4	-45.1	177.3	-77.7	165.2	0	0	0	111.7	Y84 V85 S546 C547 A548 W554	Y84-L550 HydrophobicContact CD1-CD1 4.13Å; Y84-L550 HydrophobicContact CE1-CD1 3.9Å; Y84-L550 HydrophobicContact CE1-CD2 3.9Å; V85-L550 HydrophobicContact CB-CD1 4.41Å; V85-L550 HydrophobicContact CG2-CD1 3.71Å; S546-L550 WeakPolarHBondContact O-CG 3.36Å; S546-L550 PolarHBondContact O-N 3.46Å; C547-L550 WeakPolarHBondContact O-CB 3.1Å; C547-L550 PolarHBondContact O-N 3.4Å; C547-L550 VanDerWaalsContact O-N 3.11Å; A548-L550 VanDerWaalsContact C-N 3.31Å; A548-L550 PolarHBondContact O-N 3.45Å; L550-W554 WeakPolarHBondContact O-CB 3.29Å; L550-W554 PolarHBondContact O-N 2.84Å
551	L	82.7	Confident	79.2	Confident	112 Å²	112	87.6 Å²	87.6	59%	0.586	41%	0.411	S	S	*	.	H	α-helix	trans	-66.1	-43.6	177.7	-67.5	172	0	0	0	112	C547 A548 W554 H555	C547-L551 WeakPolarHBondContact O-CG 3.48Å; C547-L551 PolarHBondContact O-N 3.03Å; A548-L551 PolarHBondContact O-N 3.26Å; L551-W554 PolarHBondContact O-N 3.45Å; L551-H555 WeakPolarHBondContact O-CB 3.35Å; L551-H555 PolarHBondContact O-N 2.95Å
552	C	83.4	Confident	78.7	Confident	86 Å²	86	89.9 Å²	89.9	58%	0.581	42%	0.42	S	S	*	.	H	α-helix	trans	-67.2	-41.9	175.9	-68.5	0	0	0	0	112.2	A548 W554 H555 Y556	A548-C552 WeakPolarHBondContact O-CB 3.49Å; A548-C552 PolarHBondContact O-N 3.03Å; A548-C552 PolarHBondContact O-SG 2.64Å; C552-W554 VanDerWaalsContact C-N 3.29Å; C552-W554 PolarHBondContact O-N 3.49Å; C552-H555 PolarHBondContact O-N 3.43Å; C552-Y556 WeakPolarHBondContact O-CB 3.49Å; C552-Y556 PolarHBondContact O-N 3.15Å
553	A	77.4	Confident	78	Confident	46 Å²	46	90.9 Å²	90.9	38%	0.38	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-36.3	175.7	0	0	0	0	0	111.4	K549 N557	K549-A553 WeakPolarHBondContact O-CB 2.83Å; K549-A553 PolarHBondContact O-N 3.24Å; A553-N557 WeakPolarHBondContact O-CB 3.22Å; A553-N557 VanDerWaalsContact O-CG 3.25Å; A553-N557 PolarHBondContact O-N 3.28Å; A553-N557 PolarHBondContact O-ND2 2.99Å
554	W	77	Confident	76.7	Confident	156 Å²	156	97.6 Å²	97.6	59%	0.591	45%	0.447	S	S	*	.	H	α-helix	trans	-63.8	-45.5	172.2	-178.5	87.6	0	0	0	111.3	L550 L551 C552 N557 R558	L550-W554 WeakPolarHBondContact O-CB 3.29Å; L550-W554 PolarHBondContact O-N 2.84Å; L551-W554 PolarHBondContact O-N 3.45Å; C552-W554 VanDerWaalsContact C-N 3.29Å; C552-W554 PolarHBondContact O-N 3.49Å; W554-N557 PolarHBondContact O-N 3.38Å; W554-R558 VanDerWaalsContact O-CB 3.27Å; W554-R558 WeakPolarHBondContact O-CB 3.44Å; W554-R558 PolarHBondContact O-N 3.48Å
555	H	76.5	Confident	75.5	Confident	99 Å²	99	92.2 Å²	92.2	46%	0.458	44%	0.438	S	S	.	.	H	α-helix	trans	-60.6	-52	175.7	-165.9	-86.8	0	0	0	112	L551 C552 N557 R558 E559	L551-H555 WeakPolarHBondContact O-CB 3.35Å; L551-H555 PolarHBondContact O-N 2.95Å; C552-H555 PolarHBondContact O-N 3.43Å; H555-N557 VanDerWaalsContact C-N 3.35Å; H555-N557 PolarHBondContact O-N 3.14Å; H555-R558 WeakPolarHBondContact O-CB 3.39Å; H555-R558 PolarHBondContact O-N 3.43Å; H555-R558 VanDerWaalsContact O-N 3.11Å; H555-E559 IonicContact CE1-OE1 3.01Å; H555-E559 PolarHBondContact CE1-OE1 3.08Å; H555-E559 IonicContact ND1-OE1 3.39Å; H555-E559 PolarHBondContact ND1-OE1 3.34Å; H555-E559 IonicContact ND1-OE2 3.64Å; H555-E559 PolarHBondContact O-N 3.3Å
556	Y	73.1	Confident	74.3	Confident	130 Å²	130	92.6 Å²	92.6	51%	0.51	44%	0.441	S	S	.	.	H	α-helix	trans	-60.7	-41.3	179	179.3	-101.6	0	0	0	112.6	C552 R560	C552-Y556 WeakPolarHBondContact O-CB 3.49Å; C552-Y556 PolarHBondContact O-N 3.15Å; Y556-R560 HydrophobicContact CE1-CG 4.32Å; Y556-R560 VanDerWaalsContact CE1-NE 3.31Å; Y556-R560 PolarHBondContact O-N 3.15Å
557	N	74	Confident	72.9	Confident	61 Å²	61	96.6 Å²	96.6	33%	0.326	46%	0.462	S	S	.	.	H	α-helix	trans	-71	-32.1	176.1	-76.2	-29.3	0	0	0	112.4	A553 W554 H555 R560 R561	A553-N557 WeakPolarHBondContact O-CB 3.22Å; A553-N557 VanDerWaalsContact O-CG 3.25Å; A553-N557 PolarHBondContact O-N 3.28Å; A553-N557 PolarHBondContact O-ND2 2.99Å; W554-N557 PolarHBondContact O-N 3.38Å; H555-N557 VanDerWaalsContact C-N 3.35Å; H555-N557 PolarHBondContact O-N 3.14Å; N557-R560 PolarHBondContact OD1-NH2 3.09Å; N557-R561 WeakPolarHBondContact O-CG 3.45Å; N557-R561 PolarHBondContact O-N 3.48Å
558	R	74.9	Confident	71.6	Confident	131 Å²	131	101.7 Å²	101.7	49%	0.494	48%	0.483	S	S	.	.	H	α-helix	trans	-64.8	-46.7	173.2	-178.9	-179.4	175.3	179.2	-0.7	110.7	W554 H555 R561 Q562	W554-R558 VanDerWaalsContact O-CB 3.27Å; W554-R558 WeakPolarHBondContact O-CB 3.44Å; W554-R558 PolarHBondContact O-N 3.48Å; H555-R558 WeakPolarHBondContact O-CB 3.39Å; H555-R558 PolarHBondContact O-N 3.43Å; H555-R558 VanDerWaalsContact O-N 3.11Å; R558-R561 PolarHBondContact O-N 2.76Å; R558-Q562 WeakPolarHBondContact O-CG 3.45Å; R558-Q562 PolarHBondContact O-N 2.59Å
559	E	71.6	Confident	70.1	Confident	86 Å²	86	105.9 Å²	105.9	40%	0.402	50%	0.5	S	S	.	.	H	α-helix	trans	-60.2	-46.8	175.3	-72.9	177.5	152.8	0	0	111.8	H555 R561 Q562 Q563	H555-E559 IonicContact CE1-OE1 3.01Å; H555-E559 PolarHBondContact CE1-OE1 3.08Å; H555-E559 IonicContact ND1-OE1 3.39Å; H555-E559 PolarHBondContact ND1-OE1 3.34Å; H555-E559 IonicContact ND1-OE2 3.64Å; H555-E559 PolarHBondContact O-N 3.3Å; E559-R561 PolarHBondContact O-N 2.8Å; E559-Q562 PolarHBondContact O-N 3.32Å; E559-Q563 PolarHBondContact O-N 3.31Å
560	R	70.6	Confident	68.5	Low	93 Å²	93	108 Å²	108	35%	0.351	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-42.8	175.4	-87.6	-157.8	-61.6	155.4	-0.9	112.5	Y556 N557 Q562 Q563 Y564	Y556-R560 HydrophobicContact CE1-CG 4.32Å; Y556-R560 VanDerWaalsContact CE1-NE 3.31Å; Y556-R560 PolarHBondContact O-N 3.15Å; N557-R560 PolarHBondContact OD1-NH2 3.09Å; R560-Q562 VanDerWaalsContact C-N 3.31Å; R560-Q562 PolarHBondContact O-N 3.3Å; R560-Q563 PolarHBondContact O-N 2.97Å; R560-Y564 HydrophobicContact CB-CD2 4.38Å; R560-Y564 HydrophobicContact CB-CE2 4.34Å; R560-Y564 WeakPolarHBondContact O-CD2 3.39Å; R560-Y564 PolarHBondContact O-N 3.2Å
561	R	67.5	Low	67.1	Low	194 Å²	194	113.4 Å²	113.4	73%	0.732	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-39.2	177.1	-75.1	-174.8	-146.4	-179.2	4.9	111.9	N557 R558 E559 Y564 G565	N557-R561 WeakPolarHBondContact O-CG 3.45Å; N557-R561 PolarHBondContact O-N 3.48Å; R558-R561 PolarHBondContact O-N 2.76Å; E559-R561 PolarHBondContact O-N 2.8Å; R561-Y564 PolarHBondContact O-N 3.06Å; R561-G565 PolarHBondContact O-N 2.78Å
562	Q	70	Confident	65.6	Low	110 Å²	110	115.3 Å²	115.3	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-64.5	-40.9	173.8	-73	-179.8	-27	0	0	111.6	R558 E559 R560 G565 L566	R558-Q562 WeakPolarHBondContact O-CG 3.45Å; R558-Q562 PolarHBondContact O-N 2.59Å; E559-Q562 PolarHBondContact O-N 3.32Å; R560-Q562 VanDerWaalsContact C-N 3.31Å; R560-Q562 PolarHBondContact O-N 3.3Å; Q562-G565 PolarHBondContact O-N 3.4Å; Q562-L566 WeakPolarHBondContact O-CB 3.32Å; Q562-L566 PolarHBondContact O-N 3.47Å
563	Q	64.8	Low	63.6	Low	119 Å²	119	113.6 Å²	113.6	56%	0.556	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-40.6	174.4	-76.7	171.6	-20.8	0	0	112.9	E559 R560 L566 N567	E559-Q563 PolarHBondContact O-N 3.31Å; R560-Q563 PolarHBondContact O-N 2.97Å; Q563-L566 PolarHBondContact O-N 3.49Å; Q563-N567 WeakPolarHBondContact O-CB 3.02Å; Q563-N567 PolarHBondContact O-N 2.88Å; Q563-N567 PolarHBondContact O-ND2 3.48Å
564	Y	58.2	Low	62	Low	145 Å²	145	118.2 Å²	118.2	57%	0.569	55%	0.552	S	S	*	*	H	α-helix	trans	-65.6	-39.6	174	-79.5	-70.3	0	0	0	112	R560 R561 N567 Q568	R560-Y564 HydrophobicContact CB-CD2 4.38Å; R560-Y564 HydrophobicContact CB-CE2 4.34Å; R560-Y564 WeakPolarHBondContact O-CD2 3.39Å; R560-Y564 PolarHBondContact O-N 3.2Å; R561-Y564 PolarHBondContact O-N 3.06Å; Y564-N567 PolarHBondContact O-N 3.15Å; Y564-Q568 WeakPolarHBondContact O-CG 3.36Å; Y564-Q568 PolarHBondContact O-N 2.76Å
565	G	63.2	Low	60.4	Low	34 Å²	34	114.3 Å²	114.3	35%	0.351	55%	0.545	S	S	.	.	H	α-helix	trans	-63.8	-43.8	173.4	0	0	0	0	0	112.6	R561 Q562 Q568 L569	R561-G565 PolarHBondContact O-N 2.78Å; Q562-G565 PolarHBondContact O-N 3.4Å; G565-Q568 PolarHBondContact O-N 3.3Å; G565-L569 WeakPolarHBondContact O-CG 3.27Å; G565-L569 PolarHBondContact O-N 3.43Å
566	L	58.5	Low	58.6	Low	118 Å²	118	115 Å²	115	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-65.4	-39	173.7	-110.8	99.5	0	0	0	112.5	Q562 Q563 L569 K570	Q562-L566 WeakPolarHBondContact O-CB 3.32Å; Q562-L566 PolarHBondContact O-N 3.47Å; Q563-L566 PolarHBondContact O-N 3.49Å; L566-L569 PolarHBondContact O-N 3.39Å; L566-K570 WeakPolarHBondContact O-CB 3.47Å; L566-K570 PolarHBondContact O-N 3.36Å
567	N	54.7	Low	57.1	Low	89 Å²	89	115.6 Å²	115.6	48%	0.476	57%	0.569	S	S	.	*	H	α-helix	trans	-70.6	-33	179.1	-73.2	-13.7	0	0	0	111.8	Q563 Y564 K570 H571	Q563-N567 WeakPolarHBondContact O-CB 3.02Å; Q563-N567 PolarHBondContact O-N 2.88Å; Q563-N567 PolarHBondContact O-ND2 3.48Å; Y564-N567 PolarHBondContact O-N 3.15Å; N567-K570 PolarHBondContact O-N 3.28Å; N567-H571 WeakPolarHBondContact O-CB 3.35Å; N567-H571 PolarHBondContact O-N 3.39Å
568	Q	56.7	Low	55.4	Low	133 Å²	133	120.6 Å²	120.6	62%	0.621	59%	0.591	S	S	*	*	H	α-helix	trans	-68.7	-41.7	169.5	-75.2	-163.8	0.4	0	0	111.6	Y564 G565 K570 H571 F572	Y564-Q568 WeakPolarHBondContact O-CG 3.36Å; Y564-Q568 PolarHBondContact O-N 2.76Å; G565-Q568 PolarHBondContact O-N 3.3Å; Q568-K570 VanDerWaalsContact C-N 3.29Å; Q568-K570 PolarHBondContact O-N 3.29Å; Q568-H571 PolarHBondContact O-N 3.35Å; Q568-H571 VanDerWaalsContact O-N 3.16Å; Q568-F572 VanDerWaalsContact O-CD2 3.32Å; Q568-F572 WeakPolarHBondContact O-CD2 3.31Å; Q568-F572 PolarHBondContact O-N 2.9Å
569	L	51.9	Low	53.8	Low	129 Å²	129	122 Å²	122	68%	0.675	61%	0.607	S	S	*	*	H	α-helix	trans	-63.2	-33.8	173.1	-74.4	164.1	0	0	0	112.5	G565 L566 G573	G565-L569 WeakPolarHBondContact O-CG 3.27Å; G565-L569 PolarHBondContact O-N 3.43Å; L566-L569 PolarHBondContact O-N 3.39Å; L569-G573 PolarHBondContact O-N 3.39Å
570	K	50	Low	52.4	Low	154 Å²	154	121.7 Å²	121.7	67%	0.67	62%	0.619	S	S	*	*	H	α-helix	trans	-66.4	-43.1	170.7	-113.9	-179.4	176.2	-176.7	0	111.9	L566 N567 Q568 F572 G573 D574	L566-K570 WeakPolarHBondContact O-CB 3.47Å; L566-K570 PolarHBondContact O-N 3.36Å; N567-K570 PolarHBondContact O-N 3.28Å; Q568-K570 VanDerWaalsContact C-N 3.29Å; Q568-K570 PolarHBondContact O-N 3.29Å; K570-F572 VanDerWaalsContact C-N 3.29Å; K570-F572 PolarHBondContact O-N 3.1Å; K570-G573 PolarHBondContact O-N 3.32Å; K570-G573 VanDerWaalsContact O-N 3.1Å; K570-D574 PolarHBondContact O-N 3.02Å
571	H	52.5	Low	51	Low	156 Å²	156	124.8 Å²	124.8	72%	0.722	64%	0.641	S	S	*	*	H	α-helix	trans	-67.4	-26.8	177.9	-114	-59.6	0	0	0	113.7	N567 Q568	N567-H571 WeakPolarHBondContact O-CB 3.35Å; N567-H571 PolarHBondContact O-N 3.39Å; Q568-H571 PolarHBondContact O-N 3.35Å; Q568-H571 VanDerWaalsContact O-N 3.16Å
572	F	51.3	Low	49.5	Very low	153 Å²	153	119.2 Å²	119.2	67%	0.671	64%	0.644	S	S	*	*	H	α-helix	trans	-85	-21.9	170.3	-82.7	-79	0	0	0	112.9	Q568 K570 D574 T575	Q568-F572 VanDerWaalsContact O-CD2 3.32Å; Q568-F572 WeakPolarHBondContact O-CD2 3.31Å; Q568-F572 PolarHBondContact O-N 2.9Å; K570-F572 VanDerWaalsContact C-N 3.29Å; K570-F572 PolarHBondContact O-N 3.1Å; F572-D574 VanDerWaalsContact C-N 3.3Å; F572-D574 PolarHBondContact O-N 3.23Å; F572-T575 PolarHBondContact O-N 3.39Å; F572-T575 PolarHBondContact O-OG1 3.32Å
573	G	41.5	Very low	48.1	Very low	50 Å²	50	124.7 Å²	124.7	52%	0.515	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	-6.1	178.7	0	0	0	0	0	115.7	L569 K570 T575	L569-G573 PolarHBondContact O-N 3.39Å; K570-G573 PolarHBondContact O-N 3.32Å; K570-G573 VanDerWaalsContact O-N 3.1Å; G573-T575 VanDerWaalsContact C-N 3.3Å
574	D	44.6	Very low	47.3	Very low	142 Å²	142	124 Å²	124	76%	0.759	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	9.6	172.3	-65.9	-29.7	0	0	0	112.6	K570 F572	K570-D574 PolarHBondContact O-N 3.02Å; F572-D574 VanDerWaalsContact C-N 3.3Å; F572-D574 PolarHBondContact O-N 3.23Å
575	T	43.4	Very low	46.8	Very low	74 Å²	74	121 Å²	121	45%	0.454	66%	0.662	S	S	.	*	S	Bend	trans	-94.2	141.5	160.4	58.4	0	0	0	0	109	F572 G573 I577	F572-T575 PolarHBondContact O-N 3.39Å; F572-T575 PolarHBondContact O-OG1 3.32Å; G573-T575 VanDerWaalsContact C-N 3.3Å; T575-I577 PolarHBondContact O-N 3.1Å
576	P	38.6	Very low	45.9	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	69%	0.689	S	S	*	*	S	Bend	trans	-74	75.3	-169.3	31.3	-34.7	0	0	0	111.5	Q578	P576-Q578 VanDerWaalsContact C-N 3.31Å
577	I	40.1	Very low	45.7	Very low	142 Å²	142	131.8 Å²	131.8	73%	0.728	69%	0.694	S	S	*	*			trans	-105.9	47	160.6	-49.3	177.3	0	0	0	107.5	T575 L579	T575-I577 PolarHBondContact O-N 3.1Å; I577-L579 VanDerWaalsContact C-N 3.33Å
578	Q	38.3	Very low	45.1	Very low	166 Å²	166	136.9 Å²	136.9	78%	0.776	71%	0.712	S	S	*	*			trans	-96.6	15.2	158.1	-77.7	-168.7	-1.8	0	0	111.6	P576	P576-Q578 VanDerWaalsContact C-N 3.31Å
579	L	41.4	Very low	44.2	Very low	161 Å²	161	140.3 Å²	140.3	84%	0.843	73%	0.733	S	S	*	*	S	Bend	trans	-101	7.4	-177	-117.2	137	0	0	0	114.9	I577	I577-L579 VanDerWaalsContact C-N 3.33Å
580	A	43.1	Very low	43.8	Very low	78 Å²	78	140.9 Å²	140.9	65%	0.645	74%	0.736	S	S	*	*	S	Bend	trans	-128.7	-24.6	-176.5	0	0	0	0	0	117.2
581	I	41.7	Very low	43.5	Very low	159 Å²	159	140.2 Å²	140.2	82%	0.815	74%	0.74	S	S	*	*	S	Bend	trans	-144.8	107.3	-177.1	-52.2	178.4	0	0	0	109.9
582	G	35.6	Very low	43	Very low	77 Å²	77	139.3 Å²	139.3	79%	0.794	74%	0.741	S	S	*	*			trans	-63	136.8	-162.3	0	0	0	0	0	116.6
583	R	40.8	Very low	42.5	Very low	224 Å²	224	138.5 Å²	138.5	85%	0.845	75%	0.745	S	S	*	*			trans	-100.9	102.1	160.1	-81.9	-175.9	175.3	177.7	0.1	109
584	V	46.8	Very low	42.6	Very low	104 Å²	104	144 Å²	144	63%	0.63	76%	0.759	S	S	*	*			trans	-81.9	131.5	159.7	-178.8	0	0	0	0	107.8
585	P	47.2	Very low	42.5	Very low	84 Å²	84	144.1 Å²	144.1	55%	0.545	76%	0.759	S	S	.	*			trans	-70	138.1	177	-18	32.2	0	0	0	112.6	N587 K588	P585-N587 WeakPolarHBondContact CB-OD1 3.48Å; P585-N587 PolarHBondContact O-N 3.22Å; P585-K588 PolarHBondContact O-N 3.37Å
586	W	45.4	Very low	42.4	Very low	240 Å²	240	149.1 Å²	149.1	91%	0.909	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	12.7	-176.6	-83.8	85.1	0	0	0	116.5
587	N	54.6	Low	42.7	Very low	137 Å²	137	151.8 Å²	151.8	73%	0.733	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	16.6	-172.7	41.1	-25.4	0	0	0	112.5	P585	P585-N587 WeakPolarHBondContact CB-OD1 3.48Å; P585-N587 PolarHBondContact O-N 3.22Å
588	K	41.9	Very low	42.9	Very low	197 Å²	197	152.6 Å²	152.6	86%	0.857	79%	0.788	S	S	*	*			trans	-135.3	19.3	170	-85.2	-170.7	174.4	-176.8	0	113.3	P585	P585-K588 PolarHBondContact O-N 3.37Å
589	L	38.1	Very low	43.3	Very low	204 Å²	204	151.4 Å²	151.4	100%	1.068	79%	0.789	S	S	*	*			trans	-123.8	0	165.1	-85.9	157.9	0	0	0	106.7

Retrieved 589 of 589 residues in 732.1 ms (Link to these results)

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