A0A077ZKF0_TRITR Loading...

NADH-ubiquinone oxidoreductase chain 1

AlphaFold DB , UniProt , Accession A0A077ZKF0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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	I	87.3	Confident	87.5	Confident	177 Å²	177	109.4 Å²	109.4	91%	0.908	55%	0.554	S	S	*	*				0	-58	0	-58.7	167.1	0	0	0	111	Q3 L4 F5	I1-Q3 PolarHBondContact O-N 3.08Å; I1-Q3 VanDerWaalsContact O-N 3.1Å; I1-L4 WeakPolarHBondContact O-CD1 3.39Å; I1-L4 PolarHBondContact O-N 3.41Å; I1-F5 HydrophobicContact CG2-CE2 4.43Å
2	L	90.6	Very high	87.1	Confident	139 Å²	139	110.9 Å²	110.9	73%	0.728	57%	0.572	S	S	*	*	H	α-helix	trans	-58.5	-27.4	-177.4	-169	64.2	0	0	0	114.7	L4 F5 R6	L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.17Å; L2-F5 PolarHBondContact O-N 3.26Å; L2-R6 PolarHBondContact O-N 3.25Å
3	Q	93.2	Very high	87	Confident	83 Å²	83	112.6 Å²	112.6	39%	0.388	58%	0.581	S	S	.	*	H	α-helix	trans	-50	-45.1	175.2	-176.5	59.9	33.7	0	0	113.2	I1 F5 R6 D7	I1-Q3 PolarHBondContact O-N 3.08Å; I1-Q3 VanDerWaalsContact O-N 3.1Å; Q3-F5 PolarHBondContact O-N 3Å; Q3-R6 PolarHBondContact O-N 3.14Å; Q3-D7 PolarHBondContact NE2-OD1 2.99Å; Q3-D7 PolarHBondContact NE2-OD2 3.48Å; Q3-D7 VanDerWaalsContact O-CG 3.31Å; Q3-D7 PolarHBondContact O-N 3.43Å
4	L	86.7	Confident	86.8	Confident	130 Å²	130	115.5 Å²	115.5	68%	0.681	59%	0.587	S	S	*	*	H	α-helix	trans	-65.7	-41.5	-176.3	-68.5	90.9	0	0	0	111.6	I1 L2 G8	I1-L4 WeakPolarHBondContact O-CD1 3.39Å; I1-L4 PolarHBondContact O-N 3.41Å; L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.17Å; L4-G8 PolarHBondContact O-N 3.5Å
5	F	87.7	Confident	85.6	Confident	137 Å²	137	113.8 Å²	113.8	60%	0.601	59%	0.59	S	S	*	*	H	α-helix	trans	-66.9	-40.5	176.9	-69.5	-74.7	0	0	0	111.4	I1 L2 Q3 G8 I9	I1-F5 HydrophobicContact CG2-CE2 4.43Å; L2-F5 PolarHBondContact O-N 3.26Å; Q3-F5 PolarHBondContact O-N 3Å; F5-G8 PolarHBondContact O-N 3.21Å; F5-I9 WeakPolarHBondContact O-CB 2.94Å; F5-I9 WeakPolarHBondContact O-CD1 3.21Å; F5-I9 VanDerWaalsContact O-CG1 3.29Å; F5-I9 WeakPolarHBondContact O-CG1 3.13Å; F5-I9 PolarHBondContact O-N 3.43Å
6	R	90.8	Very high	84.8	Confident	134 Å²	134	110.1 Å²	110.1	51%	0.506	58%	0.581	S	S	.	*	H	α-helix	trans	-59.6	-48.4	177.2	-168.3	-174.8	74.7	-155.1	7.7	111.3	L2 Q3 G8 I9 I10	L2-R6 PolarHBondContact O-N 3.25Å; Q3-R6 PolarHBondContact O-N 3.14Å; R6-G8 VanDerWaalsContact C-N 3.33Å; R6-G8 PolarHBondContact O-N 3.48Å; R6-I9 PolarHBondContact O-N 2.85Å; R6-I10 HydrophobicContact CG-CD1 3.91Å; R6-I10 WeakPolarHBondContact O-CD1 3.24Å; R6-I10 WeakPolarHBondContact O-CG1 3.4Å; R6-I10 PolarHBondContact O-N 3.35Å
7	D	85.3	Confident	83.5	Confident	69 Å²	69	110.6 Å²	110.6	37%	0.369	58%	0.584	S	S	.	*	H	α-helix	trans	-66.6	-37.7	-179.1	-62.8	-20.4	0	0	0	111.3	Q3 I10 L11	Q3-D7 PolarHBondContact NE2-OD1 2.99Å; Q3-D7 PolarHBondContact NE2-OD2 3.48Å; Q3-D7 VanDerWaalsContact O-CG 3.31Å; Q3-D7 PolarHBondContact O-N 3.43Å; D7-I10 PolarHBondContact O-N 3.05Å; D7-L11 WeakPolarHBondContact O-CG 3.45Å; D7-L11 PolarHBondContact O-N 3.38Å; D7-L11 VanDerWaalsContact O-N 3.15Å
8	G	84.4	Confident	82.3	Confident	36 Å²	36	113.7 Å²	113.7	37%	0.371	59%	0.592	S	S	.	*	H	α-helix	trans	-61.2	-47.2	172.4	0	0	0	0	0	113.2	L4 F5 R6 I10 L11 V12	L4-G8 PolarHBondContact O-N 3.5Å; F5-G8 PolarHBondContact O-N 3.21Å; R6-G8 VanDerWaalsContact C-N 3.33Å; R6-G8 PolarHBondContact O-N 3.48Å; G8-I10 PolarHBondContact O-N 2.79Å; G8-L11 PolarHBondContact O-N 3.41Å; G8-V12 WeakPolarHBondContact O-CG2 3.45Å; G8-V12 PolarHBondContact O-N 2.79Å
9	I	87	Confident	81.2	Confident	102 Å²	102	113.3 Å²	113.3	52%	0.523	59%	0.585	S	S	.	*	H	α-helix	trans	-63.2	-42.2	177.8	-69.9	160.1	0	0	0	111.1	F5 R6 L11 V12 I13	F5-I9 WeakPolarHBondContact O-CB 2.94Å; F5-I9 WeakPolarHBondContact O-CD1 3.21Å; F5-I9 VanDerWaalsContact O-CG1 3.29Å; F5-I9 WeakPolarHBondContact O-CG1 3.13Å; F5-I9 PolarHBondContact O-N 3.43Å; R6-I9 PolarHBondContact O-N 2.85Å; I9-L11 VanDerWaalsContact C-N 3.28Å; I9-L11 PolarHBondContact O-N 3.34Å; I9-V12 PolarHBondContact O-N 3.18Å; I9-I13 HydrophobicContact CG2-CD1 3.66Å; I9-I13 HydrophobicContact CG2-CG1 4.4Å; I9-I13 WeakPolarHBondContact O-CG1 3.41Å; I9-I13 PolarHBondContact O-N 3.15Å; I9-I13 VanDerWaalsContact O-N 3.1Å
10	I	87	Confident	80.1	Confident	89 Å²	89	119.4 Å²	119.4	46%	0.456	60%	0.602	S	S	.	*	H	α-helix	trans	-58.4	-41.7	177.7	-71.6	164.3	0	0	0	111	R6 D7 G8 I13 K14	R6-I10 HydrophobicContact CG-CD1 3.91Å; R6-I10 WeakPolarHBondContact O-CD1 3.24Å; R6-I10 WeakPolarHBondContact O-CG1 3.4Å; R6-I10 PolarHBondContact O-N 3.35Å; D7-I10 PolarHBondContact O-N 3.05Å; G8-I10 PolarHBondContact O-N 2.79Å; I10-I13 PolarHBondContact O-N 2.66Å; I10-K14 WeakPolarHBondContact O-CB 3.34Å; I10-K14 PolarHBondContact O-N 2.92Å; I10-K14 VanDerWaalsContact O-N 3.08Å
11	L	82.3	Confident	79.5	Confident	107 Å²	107	122.7 Å²	122.7	56%	0.56	62%	0.615	S	S	*	*	H	α-helix	trans	-67.9	-35.2	178.8	-71.3	173.5	0	0	0	113.1	D7 G8 I9	D7-L11 WeakPolarHBondContact O-CG 3.45Å; D7-L11 PolarHBondContact O-N 3.38Å; D7-L11 VanDerWaalsContact O-N 3.15Å; G8-L11 PolarHBondContact O-N 3.41Å; I9-L11 VanDerWaalsContact C-N 3.28Å; I9-L11 PolarHBondContact O-N 3.34Å
12	V	83.3	Confident	78.6	Confident	128 Å²	128	115.9 Å²	115.9	78%	0.776	59%	0.585	S	S	*	*	H	α-helix	trans	-68.8	-37.7	177.2	173.6	0	0	0	0	111.6	G8 I9	G8-V12 WeakPolarHBondContact O-CG2 3.45Å; G8-V12 PolarHBondContact O-N 2.79Å; I9-V12 PolarHBondContact O-N 3.18Å
13	I	86	Confident	78	Confident	133 Å²	133	114 Å²	114	68%	0.682	58%	0.576	S	S	*	*	H	α-helix	trans	-74.8	-30.4	179.6	-64.2	168.4	0	0	0	111.4	I9 I10 S15	I9-I13 HydrophobicContact CG2-CD1 3.66Å; I9-I13 HydrophobicContact CG2-CG1 4.4Å; I9-I13 WeakPolarHBondContact O-CG1 3.41Å; I9-I13 PolarHBondContact O-N 3.15Å; I9-I13 VanDerWaalsContact O-N 3.1Å; I10-I13 PolarHBondContact O-N 2.66Å; I13-S15 PolarHBondContact O-N 2.91Å
14	K	84.4	Confident	77.2	Confident	153 Å²	153	114.2 Å²	114.2	67%	0.665	58%	0.583	S	S	*	*	S	Bend	trans	-62.3	122.5	-177.9	-171.8	173.6	-177.5	178.2	0	110.8	I10 A16	I10-K14 WeakPolarHBondContact O-CB 3.34Å; I10-K14 PolarHBondContact O-N 2.92Å; I10-K14 VanDerWaalsContact O-N 3.08Å; K14-A16 PolarHBondContact O-N 3.44Å
15	S	68.5	Low	77	Confident	90 Å²	90	113.7 Å²	113.7	63%	0.629	58%	0.58	S	S	*	*			trans	-62.1	130.4	175.6	58.3	0	0	0	0	111	I13 N17	I13-S15 PolarHBondContact O-N 2.91Å; S15-N17 PolarHBondContact O-N 3.3Å
16	A	72	Confident	76.6	Confident	55 Å²	55	111.7 Å²	111.7	46%	0.455	58%	0.575	S	S	.	*			trans	-73.5	108.2	173.6	0	0	0	0	0	109.8	K14 K18	K14-A16 PolarHBondContact O-N 3.44Å; A16-K18 PolarHBondContact O-N 3.32Å
17	N	63.8	Low	75.9	Confident	119 Å²	119	107 Å²	107	64%	0.636	56%	0.558	S	S	*	*			trans	-71.2	115.8	173	-71.4	-2.4	0	0	0	109	S15	S15-N17 PolarHBondContact O-N 3.3Å
18	K	60.6	Low	75.6	Confident	165 Å²	165	110.1 Å²	110.1	72%	0.717	57%	0.565	S	S	*	*			trans	-74.7	132.8	172.6	-66.2	179.5	-178.1	175.7	0	109.1	A16	A16-K18 PolarHBondContact O-N 3.32Å
19	F	62	Low	75.4	Confident	106 Å²	106	111.4 Å²	111.4	47%	0.465	57%	0.568	S	S	.	*			trans	-78.6	129.7	171.6	-67.9	-79.5	0	0	0	110.1	Q21 A22 F27 V128 Y131	F19-Q21 PolarHBondContact O-N 3.35Å; F19-A22 HydrophobicContact CB-CB 3.95Å; F19-A22 PolarHBondContact O-N 2.72Å; F19-F27 HydrophobicContact CD2-CE2 4.06Å; F19-F27 HydrophobicContact CE2-CE2 4.36Å; F19-V128 WeakPolarHBondContact CZ-O 3.36Å; F19-Y131 HydrophobicContact CE2-CE2 4.41Å
20	Y	59.9	Low	75.1	Confident	235 Å²	235	109.9 Å²	109.9	92%	0.922	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-20.7	-175.4	-171.8	-99.8	0	0	0	114
21	Q	67.1	Low	74.8	Confident	189 Å²	189	107.6 Å²	107.6	88%	0.883	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	11.8	-177.6	-66.6	-172.3	-33.7	0	0	114.3	F19	F19-Q21 PolarHBondContact O-N 3.35Å
22	A	68.1	Low	74.8	Confident	34 Å²	34	106.7 Å²	106.7	28%	0.281	55%	0.549	S	S	.	.	S	Bend	trans	-94.6	139.1	179.8	0	0	0	0	0	112	F19 T24	F19-A22 HydrophobicContact CB-CB 3.95Å; F19-A22 PolarHBondContact O-N 2.72Å; A22-T24 PolarHBondContact O-N 3.29Å
23	N	78.7	Confident	74.8	Confident	99 Å²	99	104.6 Å²	104.6	53%	0.529	54%	0.537	S	S	.	.			trans	-61.7	111.6	166.2	-177.4	-14.2	0	0	0	108.8	I25 L26 F27	N23-I25 VanDerWaalsContact C-N 3.3Å; N23-I25 PolarHBondContact O-N 2.91Å; N23-I25 PolarHBondContact OD1-N 2.98Å; N23-L26 HydrophobicContact CB-CB 4.07Å; N23-L26 PolarHBondContact O-N 3.49Å; N23-F27 WeakPolarHBondContact O-CB 3.4Å; N23-F27 PolarHBondContact O-N 3.32Å
24	T	76.9	Confident	74.3	Confident	88 Å²	88	103.3 Å²	103.3	54%	0.54	52%	0.523	S	S	.	.	H	α-helix	trans	-59.8	-39.5	-173.7	52.8	0	0	0	0	112	A22 F27 W28	A22-T24 PolarHBondContact O-N 3.29Å; T24-F27 PolarHBondContact O-N 3.01Å; T24-W28 PolarHBondContact O-N 3.25Å
25	I	81.9	Confident	74.2	Confident	119 Å²	119	101.6 Å²	101.6	61%	0.61	52%	0.516	S	S	*	.	H	α-helix	trans	-65.4	-51.4	-179.7	-62.8	164.7	0	0	0	109.7	N23 F27 W28 C29	N23-I25 VanDerWaalsContact C-N 3.3Å; N23-I25 PolarHBondContact O-N 2.91Å; N23-I25 PolarHBondContact OD1-N 2.98Å; I25-F27 PolarHBondContact O-N 3.36Å; I25-W28 PolarHBondContact O-N 2.92Å; I25-C29 WeakPolarHBondContact O-CB 3.03Å; I25-C29 PolarHBondContact O-N 3.47Å; I25-C29 PolarHBondContact O-SG 2.66Å
26	L	78.1	Confident	74.9	Confident	96 Å²	96	100.7 Å²	100.7	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-60.9	-38.1	-178.8	-157.5	101.5	0	0	0	111.5	N23 W28 C29 I30	N23-L26 HydrophobicContact CB-CB 4.07Å; N23-L26 PolarHBondContact O-N 3.49Å; L26-W28 PolarHBondContact O-N 3.37Å; L26-C29 PolarHBondContact O-N 3.31Å; L26-I30 HydrophobicContact CD2-CD1 3.51Å; L26-I30 HydrophobicContact CG-CD1 3.68Å; L26-I30 HydrophobicContact CG-CG1 4.22Å; L26-I30 WeakPolarHBondContact O-CD1 3.46Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.21Å; L26-I30 PolarHBondContact O-N 3.25Å; L26-I30 VanDerWaalsContact O-N 3.09Å
27	F	77.2	Confident	75.2	Confident	34 Å²	34	102.3 Å²	102.3	15%	0.149	51%	0.51	C	S	.	.	H	α-helix	trans	-60.3	-41.1	179.1	177.3	-94.6	0	0	0	112.9	F19 N23 T24 I25 P31 Y131	F19-F27 HydrophobicContact CD2-CE2 4.06Å; F19-F27 HydrophobicContact CE2-CE2 4.36Å; N23-F27 WeakPolarHBondContact O-CB 3.4Å; N23-F27 PolarHBondContact O-N 3.32Å; T24-F27 PolarHBondContact O-N 3.01Å; I25-F27 PolarHBondContact O-N 3.36Å; F27-P31 WeakPolarHBondContact O-CD 2.8Å; F27-Y131 HydrophobicContact CE1-CE2 4.37Å; F27-Y131 AromaticContact CE2-CD2 3.64Å; F27-Y131 HydrophobicContact CE2-CD2 3.64Å; F27-Y131 AromaticContact CE2-CE2 3.45Å; F27-Y131 HydrophobicContact CE2-CE2 3.45Å; F27-Y131 VanDerWaalsContact CE2-CE2 3.45Å; F27-Y131 AromaticContact CZ-CD2 3.74Å; F27-Y131 HydrophobicContact CZ-CD2 3.74Å; F27-Y131 HydrophobicContact CZ-CE1 4.16Å; F27-Y131 AromaticContact CZ-CE2 3.2Å; F27-Y131 HydrophobicContact CZ-CE2 3.2Å; F27-Y131 HydrophobicContact CZ-CG 4.42Å; F27-Y131 AromaticContact CZ-CZ 3.43Å; F27-Y131 VanDerWaalsContact CZ-CZ 3.43Å
28	W	78.3	Confident	76	Confident	135 Å²	135	97.7 Å²	97.7	51%	0.511	49%	0.485	S	S	.	.	H	α-helix	trans	-82.9	-35.2	177.1	-66.2	112.1	0	0	0	113	T24 I25 L26 P31 V32	T24-W28 PolarHBondContact O-N 3.25Å; I25-W28 PolarHBondContact O-N 2.92Å; L26-W28 PolarHBondContact O-N 3.37Å; W28-P31 WeakPolarHBondContact O-CD 3.32Å; W28-V32 WeakPolarHBondContact O-CG2 3.23Å
29	C	81.3	Confident	77	Confident	63 Å²	63	94.1 Å²	94.1	43%	0.426	47%	0.473	S	S	.	.	H	α-helix	trans	-67.6	-39.8	-178.4	-71.7	0	0	0	0	112.7	I25 L26 V32 V33	I25-C29 WeakPolarHBondContact O-CB 3.03Å; I25-C29 PolarHBondContact O-N 3.47Å; I25-C29 PolarHBondContact O-SG 2.66Å; L26-C29 PolarHBondContact O-N 3.31Å; C29-V32 PolarHBondContact O-N 3.49Å; C29-V33 VanDerWaalsContact O-CG2 3.31Å; C29-V33 WeakPolarHBondContact O-CG2 3.02Å; C29-V33 PolarHBondContact O-N 3.43Å
30	I	79.9	Confident	77.9	Confident	71 Å²	71	91.6 Å²	91.6	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-50.3	-174.8	-70.4	163.4	0	0	0	112.7	L26 V32 V33 R34	L26-I30 HydrophobicContact CD2-CD1 3.51Å; L26-I30 HydrophobicContact CG-CD1 3.68Å; L26-I30 HydrophobicContact CG-CG1 4.22Å; L26-I30 WeakPolarHBondContact O-CD1 3.46Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.21Å; L26-I30 PolarHBondContact O-N 3.25Å; L26-I30 VanDerWaalsContact O-N 3.09Å; I30-V32 VanDerWaalsContact C-N 3.32Å; I30-V32 PolarHBondContact O-N 2.96Å; I30-V33 PolarHBondContact O-N 3.36Å; I30-R34 WeakPolarHBondContact O-CG 3.43Å; I30-R34 PolarHBondContact O-N 3.43Å
31	P	80.5	Confident	78.8	Confident	41 Å²	41	81.7 Å²	81.7	27%	0.266	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-39.8	177.4	-24.9	34.6	0	0	0	113	F27 W28 R34 F35	F27-P31 WeakPolarHBondContact O-CD 2.8Å; W28-P31 WeakPolarHBondContact O-CD 3.32Å; P31-R34 PolarHBondContact O-N 3.18Å; P31-F35 WeakPolarHBondContact O-CB 3.39Å; P31-F35 PolarHBondContact O-N 2.96Å
32	V	83.6	Confident	79.3	Confident	87 Å²	87	76.9 Å²	76.9	53%	0.527	41%	0.407	S	S	.	.	H	α-helix	trans	-63.9	-48.6	178.9	175.7	0	0	0	0	110.7	W28 C29 I30 R34 F35 C36	W28-V32 WeakPolarHBondContact O-CG2 3.23Å; C29-V32 PolarHBondContact O-N 3.49Å; I30-V32 VanDerWaalsContact C-N 3.32Å; I30-V32 PolarHBondContact O-N 2.96Å; V32-R34 VanDerWaalsContact C-N 3.31Å; V32-R34 PolarHBondContact O-N 2.81Å; V32-F35 PolarHBondContact O-N 3.21Å; V32-F35 VanDerWaalsContact O-N 3.14Å; V32-C36 PolarHBondContact O-N 3.29Å; V32-C36 PolarHBondContact O-SG 2.95Å
33	V	82.8	Confident	79.7	Confident	85 Å²	85	80.1 Å²	80.1	52%	0.515	43%	0.428	S	S	.	.	H	α-helix	trans	-58.6	-43.9	177.5	171.2	0	0	0	0	111.1	C29 I30 F35 C36 L37	C29-V33 VanDerWaalsContact O-CG2 3.31Å; C29-V33 WeakPolarHBondContact O-CG2 3.02Å; C29-V33 PolarHBondContact O-N 3.43Å; I30-V33 PolarHBondContact O-N 3.36Å; V33-F35 VanDerWaalsContact C-N 3.33Å; V33-F35 PolarHBondContact O-N 3.41Å; V33-C36 PolarHBondContact O-N 3.01Å; V33-L37 HydrophobicContact CG1-CD1 4.17Å; V33-L37 WeakPolarHBondContact O-CG 3.36Å; V33-L37 PolarHBondContact O-N 3.31Å
34	R	74.8	Confident	79.4	Confident	105 Å²	105	76.1 Å²	76.1	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-62.9	-40.1	177	-74.6	-178	153	-155.8	-1.5	112.5	I30 P31 V32 L37 L38 T135	I30-R34 WeakPolarHBondContact O-CG 3.43Å; I30-R34 PolarHBondContact O-N 3.43Å; P31-R34 PolarHBondContact O-N 3.18Å; V32-R34 VanDerWaalsContact C-N 3.31Å; V32-R34 PolarHBondContact O-N 2.81Å; R34-L37 PolarHBondContact O-N 2.69Å; R34-L38 PolarHBondContact O-N 3.16Å; R34-L38 VanDerWaalsContact O-N 3.07Å; R34-T135 HydrophobicContact CB-CG2 3.92Å
35	F	81.8	Confident	79.2	Confident	117 Å²	117	72.5 Å²	72.5	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-68.1	-40.6	177.1	-175.4	-108.4	0	0	0	112.1	P31 V32 V33 L38 I39	P31-F35 WeakPolarHBondContact O-CB 3.39Å; P31-F35 PolarHBondContact O-N 2.96Å; V32-F35 PolarHBondContact O-N 3.21Å; V32-F35 VanDerWaalsContact O-N 3.14Å; V33-F35 VanDerWaalsContact C-N 3.33Å; V33-F35 PolarHBondContact O-N 3.41Å; F35-L38 WeakPolarHBondContact O-CB 3.39Å; F35-L38 PolarHBondContact O-N 3.2Å; F35-I39 HydrophobicContact CD1-CD1 3.76Å; F35-I39 HydrophobicContact CE1-CD1 3.31Å; F35-I39 HydrophobicContact CE1-CG1 4.37Å; F35-I39 HydrophobicContact CE2-CD1 4.4Å; F35-I39 HydrophobicContact CG-CD1 4.48Å; F35-I39 HydrophobicContact CZ-CD1 3.68Å; F35-I39 HydrophobicContact CZ-CG1 4.37Å; F35-I39 PolarHBondContact O-N 3Å; F35-I39 VanDerWaalsContact O-N 3.09Å
36	C	83.8	Confident	78.6	Confident	71 Å²	71	68.4 Å²	68.4	48%	0.48	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-43.3	173.9	-68.5	0	0	0	0	112.1	V32 V33 L38 I39 A40	V32-C36 PolarHBondContact O-N 3.29Å; V32-C36 PolarHBondContact O-SG 2.95Å; V33-C36 PolarHBondContact O-N 3.01Å; C36-L38 VanDerWaalsContact C-N 3.32Å; C36-L38 PolarHBondContact O-N 2.91Å; C36-I39 PolarHBondContact O-N 3.29Å; C36-A40 WeakPolarHBondContact O-CB 3.26Å; C36-A40 PolarHBondContact O-N 3.27Å
37	L	79.4	Confident	77.9	Confident	90 Å²	90	70.4 Å²	70.4	47%	0.471	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-42.3	174.9	-75.4	169.7	0	0	0	111.7	V33 R34 A40 F41	V33-L37 HydrophobicContact CG1-CD1 4.17Å; V33-L37 WeakPolarHBondContact O-CG 3.36Å; V33-L37 PolarHBondContact O-N 3.31Å; R34-L37 PolarHBondContact O-N 2.69Å; L37-A40 PolarHBondContact O-N 2.95Å; L37-F41 HydrophobicContact CB-CE2 4.29Å; L37-F41 WeakPolarHBondContact O-CD2 3.38Å; L37-F41 WeakPolarHBondContact O-CG 3.32Å; L37-F41 PolarHBondContact O-N 3.32Å
38	L	80.4	Confident	77.1	Confident	21 Å²	21	73.9 Å²	73.9	11%	0.11	40%	0.396	C	S	.	.	H	α-helix	trans	-57.6	-52.8	175.7	177.7	68.3	0	0	0	110.8	R34 F35 C36 A40 F41 W42 I139	R34-L38 PolarHBondContact O-N 3.16Å; R34-L38 VanDerWaalsContact O-N 3.07Å; F35-L38 WeakPolarHBondContact O-CB 3.39Å; F35-L38 PolarHBondContact O-N 3.2Å; C36-L38 VanDerWaalsContact C-N 3.32Å; C36-L38 PolarHBondContact O-N 2.91Å; L38-A40 VanDerWaalsContact C-N 3.28Å; L38-A40 PolarHBondContact O-N 2.98Å; L38-F41 PolarHBondContact O-N 3.02Å; L38-W42 VanDerWaalsContact O-CD1 3.25Å; L38-W42 PolarHBondContact O-N 3.25Å; L38-I139 HydrophobicContact CD1-CG1 4.14Å
39	I	81.4	Confident	76	Confident	90 Å²	90	74.5 Å²	74.5	46%	0.462	40%	0.399	S	S	.	.	H	α-helix	trans	-60.2	-40.4	-179.8	-65.9	165	0	0	0	111.3	F35 C36 F41 W42 S43	F35-I39 HydrophobicContact CD1-CD1 3.76Å; F35-I39 HydrophobicContact CE1-CD1 3.31Å; F35-I39 HydrophobicContact CE1-CG1 4.37Å; F35-I39 HydrophobicContact CE2-CD1 4.4Å; F35-I39 HydrophobicContact CG-CD1 4.48Å; F35-I39 HydrophobicContact CZ-CD1 3.68Å; F35-I39 HydrophobicContact CZ-CG1 4.37Å; F35-I39 PolarHBondContact O-N 3Å; F35-I39 VanDerWaalsContact O-N 3.09Å; C36-I39 PolarHBondContact O-N 3.29Å; I39-F41 VanDerWaalsContact C-N 3.26Å; I39-F41 PolarHBondContact O-N 2.67Å; I39-W42 PolarHBondContact O-N 2.96Å; I39-W42 VanDerWaalsContact O-N 3.16Å; I39-S43 PolarHBondContact O-N 2.89Å; I39-S43 VanDerWaalsContact O-N 3.14Å
40	A	80.9	Confident	74.5	Confident	53 Å²	53	79.8 Å²	79.8	44%	0.438	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-32.7	176.6	0	0	0	0	0	112.7	C36 L37 L38 S43	C36-A40 WeakPolarHBondContact O-CB 3.26Å; C36-A40 PolarHBondContact O-N 3.27Å; L37-A40 PolarHBondContact O-N 2.95Å; L38-A40 VanDerWaalsContact C-N 3.28Å; L38-A40 PolarHBondContact O-N 2.98Å; A40-S43 PolarHBondContact O-OG 3.24Å
41	F	77.3	Confident	73.1	Confident	27 Å²	27	83 Å²	83	12%	0.118	44%	0.438	C	S	.	.	H	α-helix	trans	-77	-33.6	174.1	-62.7	-44.6	0	0	0	112.7	L37 L38 I39 S43 A44 F60 T61 P64 F65 L142	L37-F41 HydrophobicContact CB-CE2 4.29Å; L37-F41 WeakPolarHBondContact O-CD2 3.38Å; L37-F41 WeakPolarHBondContact O-CG 3.32Å; L37-F41 PolarHBondContact O-N 3.32Å; L38-F41 PolarHBondContact O-N 3.02Å; I39-F41 VanDerWaalsContact C-N 3.26Å; I39-F41 PolarHBondContact O-N 2.67Å; F41-S43 VanDerWaalsContact C-N 3.28Å; F41-S43 PolarHBondContact O-N 3.12Å; F41-A44 PolarHBondContact O-N 3.03Å; F41-F60 HydrophobicContact CE1-CE1 4.4Å; F41-T61 HydrophobicContact CB-CG2 4.39Å; F41-T61 HydrophobicContact CD1-CG2 4.07Å; F41-P64 HydrophobicContact CE1-CG 3.94Å; F41-P64 HydrophobicContact CZ-CB 4.45Å; F41-P64 HydrophobicContact CZ-CG 3.79Å; F41-F65 HydrophobicContact CD2-CZ 4.12Å; F41-F65 HydrophobicContact CE2-CZ 4.27Å; F41-L142 HydrophobicContact CB-CD1 3.44Å; F41-L142 VanDerWaalsContact CB-CD1 3.44Å
42	W	77.8	Confident	71.8	Confident	89 Å²	89	84.3 Å²	84.3	34%	0.337	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-31.1	176	-87.2	82.6	0	0	0	112.9	L38 I39 A44 L45 I141 L142 I145	L38-W42 VanDerWaalsContact O-CD1 3.25Å; L38-W42 PolarHBondContact O-N 3.25Å; I39-W42 PolarHBondContact O-N 2.96Å; I39-W42 VanDerWaalsContact O-N 3.16Å; W42-A44 PolarHBondContact O-N 3.28Å; W42-L45 HydrophobicContact CD2-CD1 4.4Å; W42-L45 HydrophobicContact CE3-CD1 4.02Å; W42-L45 HydrophobicContact CZ3-CD1 4.41Å; W42-I141 HydrophobicContact CH2-CB 4.5Å; W42-I141 HydrophobicContact CH2-CG2 3.61Å; W42-I141 HydrophobicContact CZ2-CB 4.1Å; W42-I141 HydrophobicContact CZ2-CG2 3.69Å; W42-L142 HydrophobicContact CG-CD1 4.12Å; W42-I145 HydrophobicContact CH2-CD1 4.14Å; W42-I145 HydrophobicContact CZ3-CD1 4.35Å
43	S	76	Confident	70.2	Confident	102 Å²	102	84.2 Å²	84.2	71%	0.713	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18.4	177.1	69.3	0	0	0	0	113.9	I39 A40 F41	I39-S43 PolarHBondContact O-N 2.89Å; I39-S43 VanDerWaalsContact O-N 3.14Å; A40-S43 PolarHBondContact O-OG 3.24Å; F41-S43 VanDerWaalsContact C-N 3.28Å; F41-S43 PolarHBondContact O-N 3.12Å
44	A	73.1	Confident	68.9	Low	15 Å²	15	86.6 Å²	86.6	12%	0.124	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.1	-177.2	0	0	0	0	0	114	F41 W42 T61	F41-A44 PolarHBondContact O-N 3.03Å; W42-A44 PolarHBondContact O-N 3.28Å; A44-T61 HydrophobicContact CB-CG2 3.39Å
45	L	72.9	Confident	68.2	Low	11 Å²	11	86 Å²	86	6%	0.058	45%	0.453	C	S	.	.			trans	-72.8	124.7	178.8	-69.6	173.8	0	0	0	111.1	W42 F47 I145 L146	W42-L45 HydrophobicContact CD2-CD1 4.4Å; W42-L45 HydrophobicContact CE3-CD1 4.02Å; W42-L45 HydrophobicContact CZ3-CD1 4.41Å; L45-F47 HydrophobicContact CB-CE2 3.97Å; L45-F47 HydrophobicContact CB-CZ 3.91Å; L45-F47 HydrophobicContact CD1-CZ 4.18Å; L45-I145 HydrophobicContact CD1-CD1 4.32Å; L45-I145 HydrophobicContact CD1-CG2 4.21Å; L45-I145 HydrophobicContact CD2-CG2 4.01Å; L45-L146 HydrophobicContact CD2-CD2 3.5Å; L45-L146 VanDerWaalsContact CD2-CD2 3.5Å; L45-L146 HydrophobicContact CD2-CG 3.84Å
46	P	68.5	Low	67	Low	33 Å²	33	85 Å²	85	21%	0.214	46%	0.459	C	S	.	.			trans	-70.6	135	168.7	31.1	-33.6	0	0	0	108.6	M58 F149	P46-M58 HydrophobicContact CG-CE 3.9Å; P46-M58 HydrophobicContact CG-CG 4.29Å; P46-M58 HydrophobicContact CG-SD 3.77Å; P46-F149 HydrophobicContact CB-CE1 4.48Å; P46-F149 HydrophobicContact CG-CD1 4.03Å; P46-F149 HydrophobicContact CG-CD2 4.4Å; P46-F149 HydrophobicContact CG-CE1 3.87Å; P46-F149 HydrophobicContact CG-CE2 4.25Å; P46-F149 HydrophobicContact CG-CG 4.33Å; P46-F149 HydrophobicContact CG-CZ 4.04Å; P46-F149 WeakPolarHBondContact O-CE2 3.45Å; P46-F149 WeakPolarHBondContact O-CZ 3.3Å
47	F	64.8	Low	66.1	Low	138 Å²	138	83.9 Å²	83.9	61%	0.605	45%	0.452	S	S	*	.			trans	-112.7	-0.5	171.7	-68.2	-72.8	0	0	0	112.7	L45	L45-F47 HydrophobicContact CB-CE2 3.97Å; L45-F47 HydrophobicContact CB-CZ 3.91Å; L45-F47 HydrophobicContact CD1-CZ 4.18Å
48	T	60.6	Low	65.3	Low	107 Å²	107	80.2 Å²	80.2	66%	0.656	43%	0.432	S	S	*	.	S	Bend	trans	-101.9	131.9	-174.7	53.9	0	0	0	0	111.6	K50	T48-K50 PolarHBondContact O-N 2.67Å
49	Y	54.1	Low	64.3	Low	148 Å²	148	83.4 Å²	83.4	58%	0.58	45%	0.449	S	S	*	.			trans	-73.7	20.1	-178	-67.6	-75.3	0	0	0	115	Q154	Y49-Q154 WeakPolarHBondContact CE1-O 3.42Å
50	K	49.5	Very low	63.5	Low	174 Å²	174	86.2 Å²	86.2	76%	0.757	46%	0.458	S	S	*	.	S	Bend	trans	-71.8	137.1	171.6	-84.3	-175.6	176.2	-179.6	0	108.6	T48 I52	T48-K50 PolarHBondContact O-N 2.67Å; K50-I52 PolarHBondContact O-N 3.42Å
51	T	51.8	Low	62.8	Low	139 Å²	139	83.7 Å²	83.7	85%	0.853	44%	0.438	S	S	*	.			trans	-39.1	115.8	167.4	46	0	0	0	0	108.7	S53	T51-S53 PolarHBondContact O-N 3.34Å
52	I	52	Low	62.1	Low	68 Å²	68	84.7 Å²	84.7	35%	0.349	44%	0.444	S	S	.	.			trans	-54.6	104.6	-169.3	-66.1	154.2	0	0	0	109	K50 F54 M58 P153	K50-I52 PolarHBondContact O-N 3.42Å; I52-F54 HydrophobicContact CG2-CD2 3.86Å; I52-F54 HydrophobicContact CG2-CE2 4.36Å; I52-F54 HydrophobicContact CG2-CG 4.23Å; I52-F54 PolarHBondContact O-N 3.09Å; I52-M58 HydrophobicContact CG2-SD 4.23Å; I52-P153 HydrophobicContact CD1-CB 3.83Å; I52-P153 HydrophobicContact CD1-CG 4.32Å
53	S	51.4	Low	61.4	Low	86 Å²	86	84.8 Å²	84.8	60%	0.601	45%	0.454	S	S	*	.			trans	-67.4	116.5	144.1	54.1	0	0	0	0	104.7	T51 N55	T51-S53 PolarHBondContact O-N 3.34Å; S53-N55 PolarHBondContact O-N 3.32Å
54	F	54	Low	60.8	Low	134 Å²	134	82.7 Å²	82.7	59%	0.588	44%	0.438	S	S	*	.			trans	-61.5	89.2	177.2	-113.6	-89.3	0	0	0	108.2	I52 L59	I52-F54 HydrophobicContact CG2-CD2 3.86Å; I52-F54 HydrophobicContact CG2-CE2 4.36Å; I52-F54 HydrophobicContact CG2-CG 4.23Å; I52-F54 PolarHBondContact O-N 3.09Å; F54-L59 HydrophobicContact CD1-CD1 4.48Å; F54-L59 HydrophobicContact CD1-CD2 4.39Å; F54-L59 HydrophobicContact CD1-CG 4.21Å; F54-L59 HydrophobicContact CE1-CD2 4.12Å; F54-L59 HydrophobicContact CE1-CG 4.39Å
55	N	59.9	Low	60.2	Low	92 Å²	92	83 Å²	83	49%	0.492	44%	0.437	S	S	.	.			trans	-68.8	132.1	172.6	-84.5	-18.3	0	0	0	107	S53 S57 M58	S53-N55 PolarHBondContact O-N 3.32Å; N55-S57 WeakPolarHBondContact CB-OG 3.37Å; N55-S57 PolarHBondContact O-N 3.1Å; N55-M58 PolarHBondContact O-N 3.16Å
56	P	58.2	Low	59.6	Low	97 Å²	97	84.2 Å²	84.2	63%	0.63	45%	0.451	S	S	*	.	H	α-helix	trans	-57.3	-16	-179.3	22	-32.9	0	0	0	113.1	M58 L59 F60	P56-M58 VanDerWaalsContact C-N 3.33Å; P56-M58 PolarHBondContact O-N 2.98Å; P56-L59 PolarHBondContact O-N 3.25Å; P56-F60 PolarHBondContact O-N 3.28Å
57	S	63.7	Low	59	Low	48 Å²	48	88.8 Å²	88.8	34%	0.336	47%	0.473	S	S	.	.	H	α-helix	trans	-57.6	-38.4	170.6	55.1	0	0	0	0	113.6	N55 F60 T61	N55-S57 WeakPolarHBondContact CB-OG 3.37Å; N55-S57 PolarHBondContact O-N 3.1Å; S57-F60 PolarHBondContact O-N 3.1Å; S57-T61 PolarHBondContact O-N 3.33Å
58	M	63	Low	58.3	Low	12 Å²	12	89.1 Å²	89.1	6%	0.059	47%	0.474	C	S	.	.	H	α-helix	trans	-68.1	-39.5	177.7	-67.7	179.8	74	0	0	111.3	P46 I52 N55 P56 T61 L62 F149	P46-M58 HydrophobicContact CG-CE 3.9Å; P46-M58 HydrophobicContact CG-CG 4.29Å; P46-M58 HydrophobicContact CG-SD 3.77Å; I52-M58 HydrophobicContact CG2-SD 4.23Å; N55-M58 PolarHBondContact O-N 3.16Å; P56-M58 VanDerWaalsContact C-N 3.33Å; P56-M58 PolarHBondContact O-N 2.98Å; M58-T61 PolarHBondContact O-N 3.1Å; M58-T61 PolarHBondContact O-OG1 3.13Å; M58-L62 PolarHBondContact O-N 3.2Å; M58-F149 HydrophobicContact CE-CB 4.31Å
59	L	59.7	Low	58.1	Low	89 Å²	89	84 Å²	84	47%	0.466	44%	0.443	S	S	.	.	H	α-helix	trans	-65.9	-39.1	176.8	-68.9	169.5	0	0	0	111.4	F54 P56 T61 L62 V63	F54-L59 HydrophobicContact CD1-CD1 4.48Å; F54-L59 HydrophobicContact CD1-CD2 4.39Å; F54-L59 HydrophobicContact CD1-CG 4.21Å; F54-L59 HydrophobicContact CE1-CD2 4.12Å; F54-L59 HydrophobicContact CE1-CG 4.39Å; P56-L59 PolarHBondContact O-N 3.25Å; L59-T61 PolarHBondContact O-N 2.86Å; L59-L62 PolarHBondContact O-N 3.14Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.49Å; L59-V63 PolarHBondContact O-N 2.73Å
60	F	64.1	Low	58.2	Low	149 Å²	149	83.1 Å²	83.1	65%	0.654	44%	0.442	S	S	*	.	H	α-helix	trans	-59.8	-35.1	177.2	-172.9	-101.4	0	0	0	112.7	F41 P56 S57 P64	F41-F60 HydrophobicContact CE1-CE1 4.4Å; P56-F60 PolarHBondContact O-N 3.28Å; S57-F60 PolarHBondContact O-N 3.1Å; F60-P64 WeakPolarHBondContact O-CD 3.41Å
61	T	65.5	Low	58	Low	0 Å²	0	78.7 Å²	78.7	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-71.2	-37.9	173.5	62.6	0	0	0	0	112.5	F41 A44 S57 M58 L59 P64 F65	F41-T61 HydrophobicContact CB-CG2 4.39Å; F41-T61 HydrophobicContact CD1-CG2 4.07Å; A44-T61 HydrophobicContact CB-CG2 3.39Å; S57-T61 PolarHBondContact O-N 3.33Å; M58-T61 PolarHBondContact O-N 3.1Å; M58-T61 PolarHBondContact O-OG1 3.13Å; L59-T61 PolarHBondContact O-N 2.86Å; T61-P64 WeakPolarHBondContact O-CD 3.08Å; T61-P64 WeakPolarHBondContact O-CG 3.25Å; T61-F65 WeakPolarHBondContact O-CD2 3.28Å; T61-F65 VanDerWaalsContact O-CE2 3.29Å; T61-F65 WeakPolarHBondContact O-CE2 3.46Å
62	L	64.1	Low	58.3	Low	48 Å²	48	72.1 Å²	72.1	25%	0.251	39%	0.387	S	S	.	.	H	α-helix	trans	-72.7	-33.8	-176.2	-73.4	164.5	0	0	0	113.8	M58 L59 F65 G66 I150	M58-L62 PolarHBondContact O-N 3.2Å; L59-L62 PolarHBondContact O-N 3.14Å; L62-F65 PolarHBondContact O-N 3.44Å; L62-G66 PolarHBondContact O-N 3.36Å; L62-I150 HydrophobicContact CD1-CD1 4.45Å; L62-I150 HydrophobicContact CD2-CD1 4.16Å
63	V	62.1	Low	58.7	Low	91 Å²	91	69.9 Å²	69.9	55%	0.552	38%	0.378	S	S	*	.	H	α-helix	trans	-57.9	-52.2	-176.4	171.1	0	0	0	0	113.9	L59 F65 G66 I67	L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.49Å; L59-V63 PolarHBondContact O-N 2.73Å; V63-F65 PolarHBondContact O-N 3.21Å; V63-G66 PolarHBondContact O-N 3.12Å; V63-G66 VanDerWaalsContact O-N 3.17Å; V63-I67 PolarHBondContact O-N 3.41Å
64	P	62.8	Low	59	Low	57 Å²	57	70 Å²	70	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-66.2	-27.1	-179.5	23.8	-32.7	0	0	0	112.9	F41 F60 T61	F41-P64 HydrophobicContact CE1-CG 3.94Å; F41-P64 HydrophobicContact CZ-CB 4.45Å; F41-P64 HydrophobicContact CZ-CG 3.79Å; F60-P64 WeakPolarHBondContact O-CD 3.41Å; T61-P64 WeakPolarHBondContact O-CD 3.08Å; T61-P64 WeakPolarHBondContact O-CG 3.25Å
65	F	62.3	Low	59.1	Low	22 Å²	22	67 Å²	67	10%	0.096	36%	0.357	C	S	.	.	H	α-helix	trans	-74.1	-41.7	173.5	-66.5	-52.9	0	0	0	111	F41 T61 L62 V63 I67 Q112 I139 L142 L146	F41-F65 HydrophobicContact CD2-CZ 4.12Å; F41-F65 HydrophobicContact CE2-CZ 4.27Å; T61-F65 WeakPolarHBondContact O-CD2 3.28Å; T61-F65 VanDerWaalsContact O-CE2 3.29Å; T61-F65 WeakPolarHBondContact O-CE2 3.46Å; L62-F65 PolarHBondContact O-N 3.44Å; V63-F65 PolarHBondContact O-N 3.21Å; F65-I67 PolarHBondContact O-N 3.38Å; F65-Q112 PolarHBondContact O-NE2 3.29Å; F65-I139 HydrophobicContact CE1-CG2 3.78Å; F65-I139 HydrophobicContact CZ-CG2 4.3Å; F65-L142 HydrophobicContact CE2-CD2 3.61Å; F65-L142 HydrophobicContact CZ-CD2 3.88Å; F65-L146 HydrophobicContact CE2-CD1 4.5Å
66	G	59.2	Low	58.8	Low	36 Å²	36	64 Å²	64	37%	0.371	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-36.2	-176.8	0	0	0	0	0	115.1	L62 V63 K68 A69 F70	L62-G66 PolarHBondContact O-N 3.36Å; V63-G66 PolarHBondContact O-N 3.12Å; V63-G66 VanDerWaalsContact O-N 3.17Å; G66-K68 PolarHBondContact O-N 3.47Å; G66-A69 PolarHBondContact O-N 2.91Å; G66-A69 VanDerWaalsContact O-N 3.12Å; G66-F70 PolarHBondContact O-N 3.36Å; G66-F70 VanDerWaalsContact O-N 3.1Å
67	I	55.4	Low	58.8	Low	129 Å²	129	61.2 Å²	61.2	66%	0.662	32%	0.323	S	S	*	.	H	α-helix	trans	-63.2	-40	-173.8	-63.3	163.7	0	0	0	112.4	V63 F65 A69	V63-I67 PolarHBondContact O-N 3.41Å; F65-I67 PolarHBondContact O-N 3.38Å; I67-A69 VanDerWaalsContact C-N 3.3Å; I67-A69 PolarHBondContact O-N 3.14Å
68	K	50.2	Low	58.3	Low	145 Å²	145	65.3 Å²	65.3	63%	0.63	34%	0.337	S	S	*	.	H	α-helix	trans	-75.6	-22.1	178	-69.1	-174.6	-179.1	-176.2	0	113.2	G66 H111	G66-K68 PolarHBondContact O-N 3.47Å; K68-H111 PolarHBondContact O-CD2 3.49Å; K68-H111 VanDerWaalsContact O-CD2 3.28Å; K68-H111 PolarHBondContact O-NE2 3.01Å
69	A	57.5	Low	57.9	Low	1 Å²	1	70.9 Å²	70.9	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-93.9	-21	-169.7	0	0	0	0	0	113.9	G66 I67 N71 I72 A73 I108	G66-A69 PolarHBondContact O-N 2.91Å; G66-A69 VanDerWaalsContact O-N 3.12Å; I67-A69 VanDerWaalsContact C-N 3.3Å; I67-A69 PolarHBondContact O-N 3.14Å; A69-N71 VanDerWaalsContact C-N 3.32Å; A69-N71 PolarHBondContact O-N 3.36Å; A69-I72 PolarHBondContact O-N 3Å; A69-A73 PolarHBondContact O-N 3.5Å; A69-A73 VanDerWaalsContact O-N 3.09Å; A69-I108 HydrophobicContact CB-CB 4.02Å; A69-I108 HydrophobicContact CB-CD1 4.33Å; A69-I108 HydrophobicContact CB-CG1 3.88Å; A69-I108 HydrophobicContact CB-CG2 3.33Å
70	F	55.2	Low	57.7	Low	129 Å²	129	67.4 Å²	67.4	57%	0.566	34%	0.341	S	S	*	.	H	α-helix	trans	-58.2	-40.5	-172.8	-172.6	-107.3	0	0	0	112.9	G66 A73 L74	G66-F70 PolarHBondContact O-N 3.36Å; G66-F70 VanDerWaalsContact O-N 3.1Å; F70-A73 PolarHBondContact O-N 3.12Å; F70-L74 HydrophobicContact CD1-CD1 3.96Å; F70-L74 HydrophobicContact CE1-CD1 3.58Å; F70-L74 HydrophobicContact CE1-CG 4.45Å; F70-L74 HydrophobicContact CZ-CD1 4.01Å; F70-L74 HydrophobicContact CZ-CG 4.5Å; F70-L74 PolarHBondContact O-N 2.69Å
71	N	46.5	Very low	57.2	Low	80 Å²	80	65.3 Å²	65.3	43%	0.428	34%	0.336	S	S	.	.	H	α-helix	trans	-70.4	-38.4	-176.9	-64.8	-8.8	0	0	0	112.7	A69 L74 Y75 M186	A69-N71 VanDerWaalsContact C-N 3.32Å; A69-N71 PolarHBondContact O-N 3.36Å; N71-L74 PolarHBondContact O-N 3.05Å; N71-Y75 PolarHBondContact O-N 3.38Å; N71-M186 WeakPolarHBondContact CB-O 3.46Å; N71-M186 PolarHBondContact ND2-O 3.26Å
72	I	58.3	Low	56.5	Low	2 Å²	2	75 Å²	75	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-72.2	-35.2	177.4	-64.5	179.2	0	0	0	111.6	A69 L74 Y75 N76 H111 L185	A69-I72 PolarHBondContact O-N 3Å; I72-L74 VanDerWaalsContact C-N 3.32Å; I72-L74 PolarHBondContact O-N 3.02Å; I72-Y75 PolarHBondContact O-N 3.38Å; I72-N76 WeakPolarHBondContact CG2-ND2 3.31Å; I72-N76 WeakPolarHBondContact O-CB 3.49Å; I72-N76 PolarHBondContact O-N 3.17Å; I72-N76 PolarHBondContact O-ND2 3.28Å; I72-H111 HydrophobicContact CD1-CB 3.61Å; I72-H111 WeakPolarHBondContact CD1-CD2 3.48Å; I72-H111 VanDerWaalsContact CD1-ND1 3.28Å; I72-H111 WeakPolarHBondContact CD1-ND1 3.38Å; I72-L185 HydrophobicContact CB-CD2 4.46Å; I72-L185 HydrophobicContact CD1-CD2 4.06Å; I72-L185 HydrophobicContact CG1-CD2 3.89Å; I72-L185 HydrophobicContact CG1-CG 4.06Å; I72-L185 HydrophobicContact CG2-CD2 3.98Å
73	A	60.2	Low	55.9	Low	20 Å²	20	78.3 Å²	78.3	17%	0.165	39%	0.39	C	S	.	.	H	α-helix	trans	-64	-38.3	176.5	0	0	0	0	0	111.9	A69 F70 N76 S77 I104 I108	A69-A73 PolarHBondContact O-N 3.5Å; A69-A73 VanDerWaalsContact O-N 3.09Å; F70-A73 PolarHBondContact O-N 3.12Å; A73-N76 PolarHBondContact O-N 2.87Å; A73-S77 WeakPolarHBondContact O-CB 3.28Å; A73-S77 PolarHBondContact O-N 3.41Å; A73-I104 HydrophobicContact CB-CG2 4.16Å; A73-I108 HydrophobicContact CB-CD1 4.06Å; A73-I108 HydrophobicContact CB-CG1 4.37Å
74	L	57	Low	55.3	Low	90 Å²	90	78.6 Å²	78.6	47%	0.471	38%	0.382	S	S	.	.	H	α-helix	trans	-63.1	-44.7	175.2	-75.9	168.5	0	0	0	111.6	F70 N71 I72 S77	F70-L74 HydrophobicContact CD1-CD1 3.96Å; F70-L74 HydrophobicContact CE1-CD1 3.58Å; F70-L74 HydrophobicContact CE1-CG 4.45Å; F70-L74 HydrophobicContact CZ-CD1 4.01Å; F70-L74 HydrophobicContact CZ-CG 4.5Å; F70-L74 PolarHBondContact O-N 2.69Å; N71-L74 PolarHBondContact O-N 3.05Å; I72-L74 VanDerWaalsContact C-N 3.32Å; I72-L74 PolarHBondContact O-N 3.02Å; L74-S77 PolarHBondContact O-N 3.4Å; L74-S77 PolarHBondContact O-OG 3.22Å
75	Y	55.5	Low	54.9	Low	71 Å²	71	80.5 Å²	80.5	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-47.4	176.3	-170.3	-91.8	0	0	0	111.9	N71 I72 S77 Q78 Y79 L185	N71-Y75 PolarHBondContact O-N 3.38Å; I72-Y75 PolarHBondContact O-N 3.38Å; Y75-S77 PolarHBondContact O-N 3.31Å; Y75-Q78 PolarHBondContact O-N 3.44Å; Y75-Q78 VanDerWaalsContact O-N 3.15Å; Y75-Y79 AromaticContact CD1-CD2 3.91Å; Y75-Y79 HydrophobicContact CD1-CD2 3.91Å; Y75-Y79 AromaticContact CD1-CE2 3.47Å; Y75-Y79 HydrophobicContact CD1-CE2 3.47Å; Y75-Y79 VanDerWaalsContact CD1-CE2 3.47Å; Y75-Y79 HydrophobicContact CD2-CE2 4.34Å; Y75-Y79 AromaticContact CE1-CD2 3.83Å; Y75-Y79 HydrophobicContact CE1-CD2 3.83Å; Y75-Y79 AromaticContact CE1-CE2 3.05Å; Y75-Y79 HydrophobicContact CE1-CE2 3.05Å; Y75-Y79 AromaticContact CE1-CZ 3.71Å; Y75-Y79 AromaticContact CE2-CE2 3.99Å; Y75-Y79 HydrophobicContact CE2-CE2 3.99Å; Y75-Y79 HydrophobicContact CG-CE2 4.14Å; Y75-Y79 AromaticContact CZ-CE2 3.37Å; Y75-Y79 AromaticContact CZ-CZ 3.67Å; Y75-Y79 VanDerWaalsContact CZ-OH 3.23Å; Y75-Y79 WeakPolarHBondContact O-CD2 3.09Å; Y75-Y79 PolarHBondContact OH-OH 3.26Å; Y75-L185 HydrophobicContact CD1-CD1 3.05Å; Y75-L185 HydrophobicContact CD1-CG 4.37Å; Y75-L185 HydrophobicContact CD2-CD1 4.02Å; Y75-L185 HydrophobicContact CE1-CD1 3.29Å; Y75-L185 HydrophobicContact CE2-CD1 4.24Å; Y75-L185 HydrophobicContact CG-CD1 3.41Å; Y75-L185 VanDerWaalsContact CG-CD1 3.41Å; Y75-L185 HydrophobicContact CG-CG 4.45Å
76	N	54.9	Low	54.5	Low	27 Å²	27	89.9 Å²	89.9	14%	0.144	43%	0.428	C	S	.	.	H	α-helix	trans	-67.9	-13.4	178.8	-74.6	-25.6	0	0	0	113.5	I72 A73 P80 S107	I72-N76 WeakPolarHBondContact CG2-ND2 3.31Å; I72-N76 WeakPolarHBondContact O-CB 3.49Å; I72-N76 PolarHBondContact O-N 3.17Å; I72-N76 PolarHBondContact O-ND2 3.28Å; A73-N76 PolarHBondContact O-N 2.87Å; N76-P80 WeakPolarHBondContact O-CD 3.37Å; N76-P80 WeakPolarHBondContact O-CG 3.35Å; N76-S107 VanDerWaalsContact ND2-CB 3.31Å; N76-S107 WeakPolarHBondContact ND2-CB 3.31Å; N76-S107 PolarHBondContact ND2-OG 3.29Å
77	S	56.6	Low	54.3	Low	39 Å²	39	93.3 Å²	93.3	27%	0.273	44%	0.437	S	S	.	.	H	α-helix	trans	-74.3	-29	173.5	76.2	0	0	0	0	112.3	A73 L74 Y75 P80 I81	A73-S77 WeakPolarHBondContact O-CB 3.28Å; A73-S77 PolarHBondContact O-N 3.41Å; L74-S77 PolarHBondContact O-N 3.4Å; L74-S77 PolarHBondContact O-OG 3.22Å; Y75-S77 PolarHBondContact O-N 3.31Å; S77-P80 WeakPolarHBondContact O-CD 3.2Å; S77-I81 WeakPolarHBondContact O-CD1 3.35Å; S77-I81 WeakPolarHBondContact O-CG1 3.28Å
78	Q	54.9	Low	54	Low	135 Å²	135	94 Å²	94	63%	0.631	44%	0.442	S	S	*	.	H	α-helix	trans	-77	-41	-173.6	-65.2	-176.1	-6.7	0	0	113.5	Y75	Y75-Q78 PolarHBondContact O-N 3.44Å; Y75-Q78 VanDerWaalsContact O-N 3.15Å
79	Y	53.2	Low	54.3	Low	129 Å²	129	93.9 Å²	93.9	51%	0.506	44%	0.443	S	S	.	.	H	α-helix	trans	-63.7	-41.5	-179.4	-69.9	-82.1	0	0	0	115.8	Y75	Y75-Y79 AromaticContact CD1-CD2 3.91Å; Y75-Y79 HydrophobicContact CD1-CD2 3.91Å; Y75-Y79 AromaticContact CD1-CE2 3.47Å; Y75-Y79 HydrophobicContact CD1-CE2 3.47Å; Y75-Y79 VanDerWaalsContact CD1-CE2 3.47Å; Y75-Y79 HydrophobicContact CD2-CE2 4.34Å; Y75-Y79 AromaticContact CE1-CD2 3.83Å; Y75-Y79 HydrophobicContact CE1-CD2 3.83Å; Y75-Y79 AromaticContact CE1-CE2 3.05Å; Y75-Y79 HydrophobicContact CE1-CE2 3.05Å; Y75-Y79 AromaticContact CE1-CZ 3.71Å; Y75-Y79 AromaticContact CE2-CE2 3.99Å; Y75-Y79 HydrophobicContact CE2-CE2 3.99Å; Y75-Y79 HydrophobicContact CG-CE2 4.14Å; Y75-Y79 AromaticContact CZ-CE2 3.37Å; Y75-Y79 AromaticContact CZ-CZ 3.67Å; Y75-Y79 VanDerWaalsContact CZ-OH 3.23Å; Y75-Y79 WeakPolarHBondContact O-CD2 3.09Å; Y75-Y79 PolarHBondContact OH-OH 3.26Å
80	P	56.1	Low	54.3	Low	15 Å²	15	98.2 Å²	98.2	10%	0.097	47%	0.474	C	S	.	.	H	α-helix	trans	-78.6	-39.4	-177.2	23.3	-29.4	0	0	0	113.2	N76 S77 R82 N83 Y84 M100	N76-P80 WeakPolarHBondContact O-CD 3.37Å; N76-P80 WeakPolarHBondContact O-CG 3.35Å; S77-P80 WeakPolarHBondContact O-CD 3.2Å; P80-R82 PolarHBondContact O-N 3.46Å; P80-R82 VanDerWaalsContact O-N 3.14Å; P80-N83 PolarHBondContact O-N 3.34Å; P80-Y84 VanDerWaalsContact C-CD2 3.48Å; P80-Y84 HydrophobicContact CB-CD2 3.71Å; P80-Y84 HydrophobicContact CB-CE2 3.4Å; P80-Y84 VanDerWaalsContact CB-CE2 3.4Å; P80-Y84 WeakPolarHBondContact O-CD2 3.37Å; P80-Y84 PolarHBondContact O-N 3.22Å; P80-M100 HydrophobicContact CB-CE 3.15Å; P80-M100 HydrophobicContact CB-SD 3.59Å; P80-M100 VanDerWaalsContact CB-SD 3.59Å; P80-M100 HydrophobicContact CG-CE 3.13Å; P80-M100 HydrophobicContact CG-SD 3.98Å
81	I	53.2	Low	54.2	Low	105 Å²	105	99.1 Å²	99.1	54%	0.538	48%	0.484	S	S	.	.	H	α-helix	trans	-57.9	-36	-173.3	-68.9	166.6	0	0	0	111.4	S77 N83 T85	S77-I81 WeakPolarHBondContact O-CD1 3.35Å; S77-I81 WeakPolarHBondContact O-CG1 3.28Å; I81-N83 PolarHBondContact O-N 3.49Å; I81-T85 WeakPolarHBondContact O-CG2 3.37Å; I81-T85 PolarHBondContact O-N 3.23Å
82	R	50.5	Low	54.7	Low	205 Å²	205	98.8 Å²	98.8	77%	0.774	48%	0.482	S	S	*	.	H	α-helix	trans	-70.8	-28	179.2	-164.4	172	-174.8	172.2	1.2	114.1	P80 T85	P80-R82 PolarHBondContact O-N 3.46Å; P80-R82 VanDerWaalsContact O-N 3.14Å; R82-T85 PolarHBondContact O-OG1 3.05Å
83	N	52.8	Low	54.8	Low	117 Å²	117	103.5 Å²	103.5	63%	0.626	51%	0.507	S	S	*	.	H	α-helix	trans	-88.1	-29.8	179.2	-73.6	-11.8	0	0	0	112.1	P80 I81	P80-N83 PolarHBondContact O-N 3.34Å; I81-N83 PolarHBondContact O-N 3.49Å
84	Y	50	Low	54.7	Low	96 Å²	96	108.6 Å²	108.6	38%	0.376	53%	0.531	S	S	.	.	H	α-helix	trans	-78.6	-23.7	-178.4	-70.4	-64.7	0	0	0	114.2	P80 R86 L87 K96 M100	P80-Y84 VanDerWaalsContact C-CD2 3.48Å; P80-Y84 HydrophobicContact CB-CD2 3.71Å; P80-Y84 HydrophobicContact CB-CE2 3.4Å; P80-Y84 VanDerWaalsContact CB-CE2 3.4Å; P80-Y84 WeakPolarHBondContact O-CD2 3.37Å; P80-Y84 PolarHBondContact O-N 3.22Å; Y84-R86 PolarHBondContact O-N 3.11Å; Y84-L87 PolarHBondContact O-N 3.39Å; Y84-K96 HydrophobicContact CD1-CB 4.47Å; Y84-K96 HydrophobicContact CD1-CD 4.4Å; Y84-K96 HydrophobicContact CD1-CG 4.4Å; Y84-K96 HydrophobicContact CE1-CG 4.42Å; Y84-M100 HydrophobicContact CD2-CG 4.12Å; Y84-M100 HydrophobicContact CD2-SD 3.56Å; Y84-M100 VanDerWaalsContact CD2-SD 3.56Å; Y84-M100 HydrophobicContact CE2-CE 4.11Å; Y84-M100 HydrophobicContact CE2-CG 3.71Å; Y84-M100 HydrophobicContact CE2-SD 3.45Å; Y84-M100 WeakPolarHBondContact CE2-SD 3.43Å
85	T	52.6	Low	54.7	Low	98 Å²	98	108.1 Å²	108.1	60%	0.601	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.9	175.1	50.8	0	0	0	0	113.9	I81 R82	I81-T85 WeakPolarHBondContact O-CG2 3.37Å; I81-T85 PolarHBondContact O-N 3.23Å; R82-T85 PolarHBondContact O-OG1 3.05Å
86	R	54.8	Low	54.5	Low	219 Å²	219	106.4 Å²	106.4	83%	0.826	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-9.4	-179.6	-71.5	-165.2	173.7	169.1	-1.9	115.2	Y84	Y84-R86 PolarHBondContact O-N 3.11Å
87	L	54.6	Low	54.8	Low	107 Å²	107	108.8 Å²	108.8	56%	0.56	54%	0.543	S	S	*	.			trans	-108.8	79.3	-175.6	-72.1	167.3	0	0	0	111.4	Y84 H89 K96	Y84-L87 PolarHBondContact O-N 3.39Å; L87-H89 PolarHBondContact O-N 3.42Å; L87-K96 PolarHBondContact O-NZ 3.38Å
88	N	48.7	Very low	55.2	Low	145 Å²	145	110.6 Å²	110.6	78%	0.775	55%	0.549	S	S	*	.			trans	-71.1	81.4	176.9	-73.2	-16.7	0	0	0	112.1
89	H	56.3	Low	55.5	Low	141 Å²	141	107.2 Å²	107.2	65%	0.653	54%	0.538	S	S	*	.			trans	-137	119.5	158.7	-87.4	-68	0	0	0	109.2	L87 N91 D92	L87-H89 PolarHBondContact O-N 3.42Å; H89-N91 PolarHBondContact O-N 3.23Å; H89-D92 PolarHBondContact O-N 3.43Å
90	S	58	Low	55.6	Low	92 Å²	92	102.4 Å²	102.4	64%	0.643	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-35.6	-169.7	46.2	0	0	0	0	114.2	D92 I93	S90-D92 VanDerWaalsContact C-N 3.31Å; S90-D92 PolarHBondContact O-N 3.01Å; S90-I93 PolarHBondContact O-N 3.33Å
91	N	52.7	Low	56	Low	148 Å²	148	106 Å²	106	79%	0.791	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.3	-179.4	-68.3	-11.1	0	0	0	113.4	H89	H89-N91 PolarHBondContact O-N 3.23Å
92	D	58.8	Low	56.6	Low	73 Å²	73	103.6 Å²	103.6	39%	0.39	53%	0.525	S	S	.	.	H	α-helix	trans	-84.5	-13.3	176.2	-74.4	-11.2	0	0	0	112.9	H89 S90 L94 C95 K96	H89-D92 PolarHBondContact O-N 3.43Å; S90-D92 VanDerWaalsContact C-N 3.31Å; S90-D92 PolarHBondContact O-N 3.01Å; D92-L94 PolarHBondContact O-N 3.15Å; D92-C95 PolarHBondContact O-N 2.9Å; D92-K96 HydrophobicContact CB-CD 3.77Å; D92-K96 VanDerWaalsContact CB-CE 3.43Å; D92-K96 HydrophobicContact CB-CG 4.31Å; D92-K96 WeakPolarHBondContact O-CB 3.45Å; D92-K96 WeakPolarHBondContact O-CD 2.89Å; D92-K96 WeakPolarHBondContact O-CG 3.31Å; D92-K96 PolarHBondContact O-N 3.02Å; D92-K96 IonicContact OD2-NZ 3.08Å; D92-K96 PolarHBondContact OD2-NZ 3.15Å; D92-K96 VanDerWaalsContact OD2-NZ 3.08Å
93	I	58.7	Low	57.2	Low	102 Å²	102	99.7 Å²	99.7	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-45.2	-171.7	-64	170	0	0	0	110.5	S90 K96 V97	S90-I93 PolarHBondContact O-N 3.33Å; I93-K96 PolarHBondContact O-N 3.41Å; I93-V97 HydrophobicContact CG2-CG2 4.34Å; I93-V97 WeakPolarHBondContact O-CB 3.49Å; I93-V97 VanDerWaalsContact O-CG2 3.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.39Å; I93-V97 PolarHBondContact O-N 2.76Å
94	L	59.2	Low	57.7	Low	127 Å²	127	96.2 Å²	96.2	67%	0.665	50%	0.495	S	S	*	.	H	α-helix	trans	-67.2	-42.3	-179.8	-168.2	125.5	0	0	0	111.7	D92 V97 I98	D92-L94 PolarHBondContact O-N 3.15Å; L94-V97 PolarHBondContact O-N 3.3Å; L94-I98 HydrophobicContact CD2-CD1 3.62Å; L94-I98 HydrophobicContact CG-CD1 4.17Å; L94-I98 VanDerWaalsContact O-CG1 3.26Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 3.43Å
95	C	56.3	Low	58.4	Low	79 Å²	79	93.1 Å²	93.1	53%	0.534	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-44.4	174.6	-169	0	0	0	0	111.1	D92 I98 T99	D92-C95 PolarHBondContact O-N 2.9Å; C95-I98 PolarHBondContact O-N 3.42Å; C95-T99 WeakPolarHBondContact O-CG2 3.38Å; C95-T99 PolarHBondContact O-N 2.86Å; C95-T99 PolarHBondContact O-OG1 3.09Å
96	K	51.5	Low	58.8	Low	36 Å²	36	89.8 Å²	89.8	16%	0.157	46%	0.46	C	S	.	.	H	α-helix	trans	-62.6	-44.6	177.3	-73.7	165.4	-179.8	156.7	0	111.7	Y84 L87 D92 I93 I98 T99 M100	Y84-K96 HydrophobicContact CD1-CB 4.47Å; Y84-K96 HydrophobicContact CD1-CD 4.4Å; Y84-K96 HydrophobicContact CD1-CG 4.4Å; Y84-K96 HydrophobicContact CE1-CG 4.42Å; L87-K96 PolarHBondContact O-NZ 3.38Å; D92-K96 HydrophobicContact CB-CD 3.77Å; D92-K96 VanDerWaalsContact CB-CE 3.43Å; D92-K96 HydrophobicContact CB-CG 4.31Å; D92-K96 WeakPolarHBondContact O-CB 3.45Å; D92-K96 WeakPolarHBondContact O-CD 2.89Å; D92-K96 WeakPolarHBondContact O-CG 3.31Å; D92-K96 PolarHBondContact O-N 3.02Å; D92-K96 IonicContact OD2-NZ 3.08Å; D92-K96 PolarHBondContact OD2-NZ 3.15Å; D92-K96 VanDerWaalsContact OD2-NZ 3.08Å; I93-K96 PolarHBondContact O-N 3.41Å; K96-I98 PolarHBondContact O-N 3.22Å; K96-T99 WeakPolarHBondContact CA-OG1 3.45Å; K96-T99 PolarHBondContact O-N 3.14Å; K96-T99 PolarHBondContact O-OG1 3.43Å; K96-M100 WeakPolarHBondContact O-CB 3.3Å; K96-M100 VanDerWaalsContact O-CG 3.23Å; K96-M100 WeakPolarHBondContact O-CG 2.99Å; K96-M100 PolarHBondContact O-N 2.74Å
97	V	62.4	Low	59.1	Low	76 Å²	76	80.1 Å²	80.1	46%	0.461	43%	0.426	S	S	.	.	H	α-helix	trans	-64.2	-40.2	176.6	171.3	0	0	0	0	111.7	I93 L94 M100 I101	I93-V97 HydrophobicContact CG2-CG2 4.34Å; I93-V97 WeakPolarHBondContact O-CB 3.49Å; I93-V97 VanDerWaalsContact O-CG2 3.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.39Å; I93-V97 PolarHBondContact O-N 2.76Å; L94-V97 PolarHBondContact O-N 3.3Å; V97-M100 WeakPolarHBondContact O-CB 3.35Å; V97-M100 PolarHBondContact O-N 2.89Å; V97-I101 HydrophobicContact CG1-CD1 4.07Å; V97-I101 WeakPolarHBondContact O-CG1 3.39Å; V97-I101 PolarHBondContact O-N 3.16Å
98	I	63.5	Low	59.6	Low	77 Å²	77	76.3 Å²	76.3	40%	0.395	41%	0.406	S	S	.	.	H	α-helix	trans	-65.2	-44.5	175.4	-68.4	166.7	0	0	0	110.4	L94 C95 K96 M100 I101 I102	L94-I98 HydrophobicContact CD2-CD1 3.62Å; L94-I98 HydrophobicContact CG-CD1 4.17Å; L94-I98 VanDerWaalsContact O-CG1 3.26Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 3.43Å; C95-I98 PolarHBondContact O-N 3.42Å; K96-I98 PolarHBondContact O-N 3.22Å; I98-M100 PolarHBondContact O-N 2.87Å; I98-I101 PolarHBondContact O-N 3.26Å; I98-I102 HydrophobicContact CG2-CD1 3.78Å; I98-I102 HydrophobicContact CG2-CG1 4.48Å; I98-I102 WeakPolarHBondContact O-CD1 3.48Å; I98-I102 VanDerWaalsContact O-CG1 3.25Å; I98-I102 WeakPolarHBondContact O-CG1 3.18Å; I98-I102 PolarHBondContact O-N 3.48Å
99	T	61.4	Low	60.3	Low	65 Å²	65	69.9 Å²	69.9	40%	0.399	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-33.7	176.3	60.1	0	0	0	0	112.6	C95 K96 I102 F103	C95-T99 WeakPolarHBondContact O-CG2 3.38Å; C95-T99 PolarHBondContact O-N 2.86Å; C95-T99 PolarHBondContact O-OG1 3.09Å; K96-T99 WeakPolarHBondContact CA-OG1 3.45Å; K96-T99 PolarHBondContact O-N 3.14Å; K96-T99 PolarHBondContact O-OG1 3.43Å; T99-I102 PolarHBondContact O-N 3.18Å; T99-F103 WeakPolarHBondContact O-CB 3.36Å; T99-F103 PolarHBondContact O-N 2.96Å
100	M	56.3	Low	60.7	Low	27 Å²	27	63.9 Å²	63.9	13%	0.133	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-48.7	174.7	-82.3	-115.1	61.9	0	0	112.6	P80 Y84 K96 V97 I98 I102 F103 I104	P80-M100 HydrophobicContact CB-CE 3.15Å; P80-M100 HydrophobicContact CB-SD 3.59Å; P80-M100 VanDerWaalsContact CB-SD 3.59Å; P80-M100 HydrophobicContact CG-CE 3.13Å; P80-M100 HydrophobicContact CG-SD 3.98Å; Y84-M100 HydrophobicContact CD2-CG 4.12Å; Y84-M100 HydrophobicContact CD2-SD 3.56Å; Y84-M100 VanDerWaalsContact CD2-SD 3.56Å; Y84-M100 HydrophobicContact CE2-CE 4.11Å; Y84-M100 HydrophobicContact CE2-CG 3.71Å; Y84-M100 HydrophobicContact CE2-SD 3.45Å; Y84-M100 WeakPolarHBondContact CE2-SD 3.43Å; K96-M100 WeakPolarHBondContact O-CB 3.3Å; K96-M100 VanDerWaalsContact O-CG 3.23Å; K96-M100 WeakPolarHBondContact O-CG 2.99Å; K96-M100 PolarHBondContact O-N 2.74Å; V97-M100 WeakPolarHBondContact O-CB 3.35Å; V97-M100 PolarHBondContact O-N 2.89Å; I98-M100 PolarHBondContact O-N 2.87Å; M100-I102 VanDerWaalsContact C-N 3.27Å; M100-I102 PolarHBondContact O-N 3.35Å; M100-F103 PolarHBondContact O-N 3.18Å; M100-I104 HydrophobicContact CE-CD1 4.24Å; M100-I104 HydrophobicContact CE-CG1 4.49Å; M100-I104 WeakPolarHBondContact O-CG1 3.27Å; M100-I104 PolarHBondContact O-N 2.54Å
101	I	64.7	Low	60.8	Low	92 Å²	92	60.9 Å²	60.9	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-41.1	176.5	-67.3	165.4	0	0	0	110	V97 I98 F105	V97-I101 HydrophobicContact CG1-CD1 4.07Å; V97-I101 WeakPolarHBondContact O-CG1 3.39Å; V97-I101 PolarHBondContact O-N 3.16Å; I98-I101 PolarHBondContact O-N 3.26Å; I101-F105 WeakPolarHBondContact O-CB 3.08Å; I101-F105 PolarHBondContact O-N 3.4Å
102	I	65.3	Low	61.2	Low	53 Å²	53	55.4 Å²	55.4	27%	0.272	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-43.4	176.2	-64.3	162.9	0	0	0	111.4	I98 T99 M100 R106 F147	I98-I102 HydrophobicContact CG2-CD1 3.78Å; I98-I102 HydrophobicContact CG2-CG1 4.48Å; I98-I102 WeakPolarHBondContact O-CD1 3.48Å; I98-I102 VanDerWaalsContact O-CG1 3.25Å; I98-I102 WeakPolarHBondContact O-CG1 3.18Å; I98-I102 PolarHBondContact O-N 3.48Å; T99-I102 PolarHBondContact O-N 3.18Å; M100-I102 VanDerWaalsContact C-N 3.27Å; M100-I102 PolarHBondContact O-N 3.35Å; I102-R106 WeakPolarHBondContact O-CB 3.45Å; I102-R106 PolarHBondContact O-N 3.16Å; I102-F147 HydrophobicContact CB-CZ 4.14Å; I102-F147 HydrophobicContact CG1-CZ 3.92Å; I102-F147 HydrophobicContact CG2-CE1 4.27Å; I102-F147 HydrophobicContact CG2-CZ 4.15Å
103	F	62.6	Low	61.4	Low	123 Å²	123	52.4 Å²	52.4	54%	0.539	28%	0.275	S	S	.	.	H	α-helix	trans	-65.8	-45.4	179.5	-174.4	-98.1	0	0	0	112.4	T99 M100 R106 S107	T99-F103 WeakPolarHBondContact O-CB 3.36Å; T99-F103 PolarHBondContact O-N 2.96Å; M100-F103 PolarHBondContact O-N 3.18Å; F103-R106 PolarHBondContact O-N 3.35Å; F103-S107 PolarHBondContact O-N 3.25Å
104	I	63.4	Low	61.7	Low	44 Å²	44	48.5 Å²	48.5	23%	0.226	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-52.6	178.4	-67.6	168.3	0	0	0	109.7	A73 M100 R106 S107 I108	A73-I104 HydrophobicContact CB-CG2 4.16Å; M100-I104 HydrophobicContact CE-CD1 4.24Å; M100-I104 HydrophobicContact CE-CG1 4.49Å; M100-I104 WeakPolarHBondContact O-CG1 3.27Å; M100-I104 PolarHBondContact O-N 2.54Å; I104-R106 PolarHBondContact O-N 3.35Å; I104-S107 PolarHBondContact O-N 3.07Å; I104-S107 VanDerWaalsContact O-N 3.12Å; I104-S107 PolarHBondContact O-OG 3.45Å; I104-I108 HydrophobicContact CG2-CD1 3.87Å; I104-I108 HydrophobicContact CG2-CG1 4.5Å; I104-I108 VanDerWaalsContact O-CG1 3.28Å; I104-I108 WeakPolarHBondContact O-CG1 3.47Å; I104-I108 PolarHBondContact O-N 3.46Å
105	F	64.4	Low	62.1	Low	31 Å²	31	43.6 Å²	43.6	14%	0.136	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-34.5	179.6	-162.6	-76.7	0	0	0	112	I101 I108 S109 L143 F147 I150	I101-F105 WeakPolarHBondContact O-CB 3.08Å; I101-F105 PolarHBondContact O-N 3.4Å; F105-I108 WeakPolarHBondContact O-CB 3.31Å; F105-I108 PolarHBondContact O-N 2.94Å; F105-S109 PolarHBondContact O-N 3.15Å; F105-L143 HydrophobicContact CE1-CD1 3.89Å; F105-L143 HydrophobicContact CE1-CG 4.29Å; F105-L143 HydrophobicContact CZ-CD1 3.84Å; F105-F147 HydrophobicContact CB-CD2 3.72Å; F105-F147 HydrophobicContact CB-CE2 3.32Å; F105-F147 HydrophobicContact CB-CZ 3.99Å; F105-F147 HydrophobicContact CD1-CB 3.7Å; F105-F147 HydrophobicContact CD1-CD1 4.03Å; F105-F147 AromaticContact CD1-CD2 2.96Å; F105-F147 HydrophobicContact CD1-CD2 2.96Å; F105-F147 AromaticContact CD1-CE2 3.55Å; F105-F147 HydrophobicContact CD1-CE2 3.55Å; F105-F147 AromaticContact CD1-CG 3.26Å; F105-F147 HydrophobicContact CD1-CG 3.26Å; F105-F147 HydrophobicContact CD1-CZ 4.31Å; F105-F147 AromaticContact CD2-CD2 3.61Å; F105-F147 HydrophobicContact CD2-CD2 3.61Å; F105-F147 AromaticContact CD2-CE2 3.96Å; F105-F147 HydrophobicContact CD2-CE2 3.96Å; F105-F147 HydrophobicContact CE1-CB 3.27Å; F105-F147 HydrophobicContact CE1-CD1 4.46Å; F105-F147 AromaticContact CE1-CD2 3.38Å; F105-F147 HydrophobicContact CE1-CD2 3.38Å; F105-F147 HydrophobicContact CE1-CE2 4.37Å; F105-F147 AromaticContact CE1-CG 3.44Å; F105-F147 HydrophobicContact CE1-CG 3.44Å; F105-F147 VanDerWaalsContact CE1-CG 3.44Å; F105-F147 AromaticContact CE2-CD2 3.91Å; F105-F147 HydrophobicContact CE2-CD2 3.91Å; F105-F147 AromaticContact CG-CD2 3.1Å; F105-F147 HydrophobicContact CG-CD2 3.1Å; F105-F147 AromaticContact CG-CE2 3.31Å; F105-F147 HydrophobicContact CG-CE2 3.31Å; F105-F147 AromaticContact CG-CG 3.93Å; F105-F147 HydrophobicContact CG-CG 3.93Å; F105-F147 HydrophobicContact CG-CZ 4.28Å; F105-F147 HydrophobicContact CZ-CB 3.83Å; F105-F147 AromaticContact CZ-CD2 3.8Å; F105-F147 HydrophobicContact CZ-CD2 3.8Å; F105-F147 HydrophobicContact CZ-CG 4.15Å; F105-I150 HydrophobicContact CE2-CD1 3.96Å; F105-I150 HydrophobicContact CZ-CD1 4.44Å
106	R	61.2	Low	62.3	Low	29 Å²	29	40.1 Å²	40.1	11%	0.109	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-45.1	175.2	-174.7	53.2	162.1	-175.8	-6.3	112	I102 F103 I104 I108 S109 H110 L163 R166 L170	I102-R106 WeakPolarHBondContact O-CB 3.45Å; I102-R106 PolarHBondContact O-N 3.16Å; F103-R106 PolarHBondContact O-N 3.35Å; I104-R106 PolarHBondContact O-N 3.35Å; R106-I108 VanDerWaalsContact C-N 3.28Å; R106-I108 PolarHBondContact O-N 3.42Å; R106-S109 PolarHBondContact O-N 3.22Å; R106-S109 PolarHBondContact O-OG 3.08Å; R106-H110 PolarHBondContact NE-NE2 3.33Å; R106-H110 VanDerWaalsContact NE-NE2 3.13Å; R106-H110 PolarHBondContact O-CD2 2.99Å; R106-H110 PolarHBondContact O-N 3.2Å; R106-H110 VanDerWaalsContact O-N 3.14Å; R106-L163 PolarHBondContact NH1-O 3.09Å; R106-L163 PolarHBondContact NH2-O 3.45Å; R106-L163 VanDerWaalsContact NH2-O 3.09Å; R106-R166 VanDerWaalsContact NH2-CB 3.32Å; R106-R166 PolarHBondContact NH2-O 3.29Å; R106-L170 HydrophobicContact CG-CD1 4.37Å; R106-L170 VanDerWaalsContact NE-CD1 3.32Å
107	S	61.5	Low	62.6	Low	16 Å²	16	38.6 Å²	38.6	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-40.9	176.3	72.6	0	0	0	0	111.9	N76 F103 I104 S109 H110 H111	N76-S107 VanDerWaalsContact ND2-CB 3.31Å; N76-S107 WeakPolarHBondContact ND2-CB 3.31Å; N76-S107 PolarHBondContact ND2-OG 3.29Å; F103-S107 PolarHBondContact O-N 3.25Å; I104-S107 PolarHBondContact O-N 3.07Å; I104-S107 VanDerWaalsContact O-N 3.12Å; I104-S107 PolarHBondContact O-OG 3.45Å; S107-S109 PolarHBondContact O-N 3.41Å; S107-H110 PolarHBondContact O-N 3.38Å; S107-H111 PolarHBondContact O-N 3.14Å; S107-H111 VanDerWaalsContact O-N 3.12Å
108	I	64.8	Low	62.6	Low	26 Å²	26	36.1 Å²	36.1	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-46.7	175	-69.6	174.4	0	0	0	110.6	A69 A73 I104 F105 R106 H110 H111 Q112	A69-I108 HydrophobicContact CB-CB 4.02Å; A69-I108 HydrophobicContact CB-CD1 4.33Å; A69-I108 HydrophobicContact CB-CG1 3.88Å; A69-I108 HydrophobicContact CB-CG2 3.33Å; A73-I108 HydrophobicContact CB-CD1 4.06Å; A73-I108 HydrophobicContact CB-CG1 4.37Å; I104-I108 HydrophobicContact CG2-CD1 3.87Å; I104-I108 HydrophobicContact CG2-CG1 4.5Å; I104-I108 VanDerWaalsContact O-CG1 3.28Å; I104-I108 WeakPolarHBondContact O-CG1 3.47Å; I104-I108 PolarHBondContact O-N 3.46Å; F105-I108 WeakPolarHBondContact O-CB 3.31Å; F105-I108 PolarHBondContact O-N 2.94Å; R106-I108 VanDerWaalsContact C-N 3.28Å; R106-I108 PolarHBondContact O-N 3.42Å; I108-H110 VanDerWaalsContact C-N 3.35Å; I108-H110 PolarHBondContact O-N 2.9Å; I108-H111 PolarHBondContact O-N 3.25Å; I108-Q112 WeakPolarHBondContact O-CG 3.39Å; I108-Q112 PolarHBondContact O-N 3.12Å; I108-Q112 VanDerWaalsContact O-N 3.14Å
109	S	63.9	Low	62.9	Low	11 Å²	11	33 Å²	33	8%	0.077	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-38.1	-178.6	70.3	0	0	0	0	113.9	F105 R106 S107 C113 L143	F105-S109 PolarHBondContact O-N 3.15Å; R106-S109 PolarHBondContact O-N 3.22Å; R106-S109 PolarHBondContact O-OG 3.08Å; S107-S109 PolarHBondContact O-N 3.41Å; S109-C113 WeakPolarHBondContact O-CB 3.45Å; S109-C113 PolarHBondContact O-N 3.06Å; S109-C113 PolarHBondContact O-SG 2.74Å; S109-L143 VanDerWaalsContact CB-CD2 3.42Å
110	H	63.4	Low	63	Low	14 Å²	14	31.9 Å²	31.9	7%	0.065	16%	0.16	C	C	.	.	H	α-helix	trans	-69.7	-40.7	178.4	-82.2	-72.4	0	0	0	112.3	R106 S107 I108 C113 G114 F118 L170	R106-H110 PolarHBondContact NE-NE2 3.33Å; R106-H110 VanDerWaalsContact NE-NE2 3.13Å; R106-H110 PolarHBondContact O-CD2 2.99Å; R106-H110 PolarHBondContact O-N 3.2Å; R106-H110 VanDerWaalsContact O-N 3.14Å; S107-H110 PolarHBondContact O-N 3.38Å; I108-H110 VanDerWaalsContact C-N 3.35Å; I108-H110 PolarHBondContact O-N 2.9Å; H110-C113 PolarHBondContact O-N 3.06Å; H110-G114 PolarHBondContact O-N 3.29Å; H110-F118 HydrophobicContact CB-CD2 4.16Å; H110-F118 HydrophobicContact CB-CE2 4.23Å; H110-L170 WeakPolarHBondContact NE2-CD1 3.38Å
111	H	61.7	Low	63.3	Low	29 Å²	29	32.2 Å²	32.2	13%	0.134	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-45.4	178.1	-179.9	56.3	0	0	0	111.9	K68 I72 S107 I108 C113 G114 F118	K68-H111 PolarHBondContact O-CD2 3.49Å; K68-H111 VanDerWaalsContact O-CD2 3.28Å; K68-H111 PolarHBondContact O-NE2 3.01Å; I72-H111 HydrophobicContact CD1-CB 3.61Å; I72-H111 WeakPolarHBondContact CD1-CD2 3.48Å; I72-H111 VanDerWaalsContact CD1-ND1 3.28Å; I72-H111 WeakPolarHBondContact CD1-ND1 3.38Å; S107-H111 PolarHBondContact O-N 3.14Å; S107-H111 VanDerWaalsContact O-N 3.12Å; I108-H111 PolarHBondContact O-N 3.25Å; H111-C113 VanDerWaalsContact C-N 3.3Å; H111-C113 PolarHBondContact O-N 3.26Å; H111-G114 PolarHBondContact O-N 3.34Å; H111-F118 HydrophobicContact CB-CD2 4.47Å
112	Q	60.5	Low	63.2	Low	34 Å²	34	28.7 Å²	28.7	16%	0.159	15%	0.146	C	C	.	.	H	α-helix	trans	-67.8	-32	-178.1	-70.5	172.3	12.5	0	0	113.3	F65 I108 G114 L143	F65-Q112 PolarHBondContact O-NE2 3.29Å; I108-Q112 WeakPolarHBondContact O-CG 3.39Å; I108-Q112 PolarHBondContact O-N 3.12Å; I108-Q112 VanDerWaalsContact O-N 3.14Å; Q112-G114 PolarHBondContact O-N 3.33Å; Q112-L143 HydrophobicContact CB-CD2 4.48Å; Q112-L143 VanDerWaalsContact OE1-CD2 3.22Å
113	C	63.7	Low	63	Low	10 Å²	10	27.8 Å²	27.8	7%	0.068	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-3	-179.7	-61.3	0	0	0	0	112.9	S109 H110 H111 R115 I140	S109-C113 WeakPolarHBondContact O-CB 3.45Å; S109-C113 PolarHBondContact O-N 3.06Å; S109-C113 PolarHBondContact O-SG 2.74Å; H110-C113 PolarHBondContact O-N 3.06Å; H111-C113 VanDerWaalsContact C-N 3.3Å; H111-C113 PolarHBondContact O-N 3.26Å; C113-R115 HydrophobicContact CB-CG 4.34Å; C113-R115 WeakPolarHBondContact O-CG 3.5Å; C113-R115 PolarHBondContact O-N 2.9Å; C113-I140 HydrophobicContact CB-CD1 4.18Å; C113-I140 HydrophobicContact CB-CG1 3.61Å; C113-I140 WeakPolarHBondContact SG-CG1 3.47Å
114	G	63.7	Low	62.7	Low	19 Å²	19	28 Å²	28	20%	0.196	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	21.5	177.3	0	0	0	0	0	114	H110 H111 Q112 D119	H110-G114 PolarHBondContact O-N 3.29Å; H111-G114 PolarHBondContact O-N 3.34Å; Q112-G114 PolarHBondContact O-N 3.33Å; G114-D119 VanDerWaalsContact O-OD1 3.08Å
115	R	67.2	Low	62	Low	24 Å²	24	33.2 Å²	33.2	9%	0.091	17%	0.166	C	C	.	.			trans	-99.4	161	-176.1	-63	-52.4	175.9	105.8	-3.9	112.1	C113 F118 E136 Y137 I140	C113-R115 HydrophobicContact CB-CG 4.34Å; C113-R115 WeakPolarHBondContact O-CG 3.5Å; C113-R115 PolarHBondContact O-N 2.9Å; R115-F118 WeakPolarHBondContact O-CA 3.35Å; R115-F118 PolarHBondContact O-N 3.43Å; R115-E136 IonicContact CZ-OE2 3.47Å; R115-E136 IonicContact NE-OE2 2.87Å; R115-E136 PolarHBondContact NE-OE2 3.38Å; R115-E136 IonicContact NH2-OE2 3.41Å; R115-E136 PolarHBondContact NH2-OE2 3.03Å; R115-Y137 VanDerWaalsContact NH1-CZ 3.31Å; R115-Y137 PolarHBondContact NH1-OH 3.4Å; R115-Y137 VanDerWaalsContact NH2-CE2 3.3Å; R115-Y137 PolarHBondContact NH2-OH 3.27Å; R115-I140 HydrophobicContact CG-CD1 4.21Å
116	T	61.9	Low	61.4	Low	6 Å²	6	35.9 Å²	35.9	4%	0.037	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	125.5	174.4	49.3	0	0	0	0	110.7	D119 R171 R176	T116-D119 HydrophobicContact CG2-CB 3.75Å; T116-D119 WeakPolarHBondContact CG2-OD2 3.38Å; T116-R171 HydrophobicContact CG2-CG 4.11Å; T116-R171 WeakPolarHBondContact OG1-CA 3.07Å; T116-R171 WeakPolarHBondContact OG1-CB 3.45Å; T116-R171 WeakPolarHBondContact OG1-CD 3.42Å; T116-R171 WeakPolarHBondContact OG1-CG 3.31Å; T116-R176 HydrophobicContact CG2-CG 4.22Å
117	P	57.6	Low	60.8	Low	5 Å²	5	41.7 Å²	41.7	3%	0.032	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.4	0.1	20.9	36.8	-39	0	0	0	115.8	L174 P175 F177	P117-L174 HydrophobicContact CB-CB 4.16Å; P117-L174 HydrophobicContact CG-CD1 4.08Å; P117-P175 WeakPolarHBondContact CB-O 3.39Å; P117-F177 HydrophobicContact CB-CD2 3.54Å; P117-F177 HydrophobicContact CB-CE2 3.67Å; P117-F177 HydrophobicContact CB-CG 4.49Å; P117-F177 HydrophobicContact CG-CD2 3.89Å; P117-F177 HydrophobicContact CG-CE2 3.74Å; P117-F177 PolarHBondContact O-N 3.3Å; P117-F177 VanDerWaalsContact O-N 3.1Å
118	F	63.2	Low	60	Low	24 Å²	24	45.6 Å²	45.6	11%	0.105	23%	0.234	C	C	.	.	S	Bend	trans	-96.5	20.1	-174.9	-57.3	-77.5	0	0	0	114.7	H110 H111 R115 L120 P121 F177 L182 L185	H110-F118 HydrophobicContact CB-CD2 4.16Å; H110-F118 HydrophobicContact CB-CE2 4.23Å; H111-F118 HydrophobicContact CB-CD2 4.47Å; R115-F118 WeakPolarHBondContact O-CA 3.35Å; R115-F118 PolarHBondContact O-N 3.43Å; F118-L120 PolarHBondContact O-N 2.72Å; F118-P121 WeakPolarHBondContact O-CD 3.49Å; F118-F177 HydrophobicContact CE1-CD2 4.48Å; F118-L182 HydrophobicContact CB-CD1 4.42Å; F118-L182 HydrophobicContact CD1-CD1 4.11Å; F118-L182 HydrophobicContact CD1-CD2 3.25Å; F118-L182 HydrophobicContact CD1-CG 4.27Å; F118-L182 HydrophobicContact CE1-CD2 3.48Å; F118-L182 VanDerWaalsContact CE1-CD2 3.48Å; F118-L182 HydrophobicContact CG-CD2 4.43Å; F118-L185 HydrophobicContact CE1-CD2 3.82Å; F118-L185 HydrophobicContact CZ-CD2 4.26Å
119	D	67.9	Low	59	Low	10 Å²	10	51.5 Å²	51.5	5%	0.053	26%	0.255	C	S	.	.			trans	-82.6	-8.1	-166.2	-146.2	-1	0	0	0	114.8	G114 T116 E122 A123 R171	G114-D119 VanDerWaalsContact O-OD1 3.08Å; T116-D119 HydrophobicContact CG2-CB 3.75Å; T116-D119 WeakPolarHBondContact CG2-OD2 3.38Å; D119-E122 PolarHBondContact O-N 2.96Å; D119-E122 VanDerWaalsContact O-N 3.14Å; D119-A123 WeakPolarHBondContact O-CB 3.11Å; D119-A123 PolarHBondContact O-N 2.92Å; D119-R171 IonicContact OD2-NH2 2.69Å; D119-R171 PolarHBondContact OD2-NH2 3.06Å
120	L	65.1	Low	58.6	Low	42 Å²	42	53.5 Å²	53.5	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-44.8	-172.3	-103.9	78.7	0	0	0	114.2	F118 E122 A123 E124 R176 F177	F118-L120 PolarHBondContact O-N 2.72Å; L120-E122 PolarHBondContact O-N 3.47Å; L120-A123 PolarHBondContact O-N 3.12Å; L120-E124 PolarHBondContact O-N 3.5Å; L120-R176 HydrophobicContact CD1-CB 3.59Å; L120-F177 WeakPolarHBondContact CD1-O 3.38Å
121	P	62.1	Low	58.2	Low	34 Å²	34	57.3 Å²	57.3	22%	0.221	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-26.4	175.8	-22.1	32	0	0	0	113.6	F118 R125 Y179	F118-P121 WeakPolarHBondContact O-CD 3.49Å; P121-R125 WeakPolarHBondContact O-CD 3.39Å; P121-R125 WeakPolarHBondContact O-CG 3.18Å; P121-R125 PolarHBondContact O-NE 3.24Å; P121-Y179 HydrophobicContact CG-CD2 3.82Å; P121-Y179 HydrophobicContact CG-CE2 3.91Å
122	E	62.7	Low	58.1	Low	19 Å²	19	57.3 Å²	57.3	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-89.7	-38.2	-179.4	-163.2	62.5	-161.4	0	0	111.3	D119 L120 E124 R125 E126 T132	D119-E122 PolarHBondContact O-N 2.96Å; D119-E122 VanDerWaalsContact O-N 3.14Å; L120-E122 PolarHBondContact O-N 3.47Å; E122-E124 PolarHBondContact O-N 2.87Å; E122-R125 CarbonylContact O-C 3.49Å; E122-R125 WeakPolarHBondContact O-CA 3.46Å; E122-R125 PolarHBondContact O-N 2.97Å; E122-E126 HydrophobicContact CG-CG 4.47Å; E122-E126 WeakPolarHBondContact O-CG 3.38Å; E122-E126 PolarHBondContact O-N 3.06Å; E122-T132 WeakPolarHBondContact OE1-CB 3.1Å; E122-T132 PolarHBondContact OE1-OG1 3.48Å
123	A	60.5	Low	58	Low	34 Å²	34	57.9 Å²	57.9	28%	0.281	30%	0.298	S	S	.	.	H	α-helix	trans	-58.2	-35	174.2	0	0	0	0	0	112.9	D119 L120	D119-A123 WeakPolarHBondContact O-CB 3.11Å; D119-A123 PolarHBondContact O-N 2.92Å; L120-A123 PolarHBondContact O-N 3.12Å
124	E	56.3	Low	57.8	Low	128 Å²	128	63.4 Å²	63.4	60%	0.598	33%	0.327	S	S	*	.	H	α-helix	trans	-74.5	-29.4	172.8	-68.6	179.2	-177.1	0	0	112.6	L120 E122	L120-E124 PolarHBondContact O-N 3.5Å; E122-E124 PolarHBondContact O-N 2.87Å
125	R	49.9	Very low	58.1	Low	152 Å²	152	63.2 Å²	63.2	57%	0.574	32%	0.322	S	S	*	.	H	α-helix	trans	-80.9	-31.1	178.7	-73	171.3	-170.9	-178.5	2	112.9	P121 E122 L127 V128 R129	P121-R125 WeakPolarHBondContact O-CD 3.39Å; P121-R125 WeakPolarHBondContact O-CG 3.18Å; P121-R125 PolarHBondContact O-NE 3.24Å; E122-R125 CarbonylContact O-C 3.49Å; E122-R125 WeakPolarHBondContact O-CA 3.46Å; E122-R125 PolarHBondContact O-N 2.97Å; R125-L127 PolarHBondContact O-N 2.98Å; R125-V128 CarbonylContact O-C 3.55Å; R125-V128 PolarHBondContact O-N 2.76Å; R125-R129 PolarHBondContact O-N 3.03Å
126	E	50.9	Low	58.2	Low	87 Å²	87	63 Å²	63	41%	0.407	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-30.6	174.4	-75.8	-176.9	173.3	0	0	111.6	E122 V128 L133	E122-E126 HydrophobicContact CG-CG 4.47Å; E122-E126 WeakPolarHBondContact O-CG 3.38Å; E122-E126 PolarHBondContact O-N 3.06Å; E126-V128 PolarHBondContact O-N 3.08Å; E126-L133 HydrophobicContact CG-CD1 4.16Å
127	L	47.9	Very low	58.9	Low	152 Å²	152	68.3 Å²	68.3	80%	0.796	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.5	174	-66.6	171	0	0	0	113.1	R125	R125-L127 PolarHBondContact O-N 2.98Å
128	V	45.8	Very low	59.9	Low	97 Å²	97	68.7 Å²	68.7	59%	0.588	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-24.2	-173.3	-174.7	0	0	0	0	112.6	F19 R125 E126	F19-V128 WeakPolarHBondContact CZ-O 3.36Å; R125-V128 CarbonylContact O-C 3.55Å; R125-V128 PolarHBondContact O-N 2.76Å; E126-V128 PolarHBondContact O-N 3.08Å
129	R	44.1	Very low	60.6	Low	150 Å²	150	69.6 Å²	69.6	57%	0.566	35%	0.352	S	S	*	.			trans	-152.2	105.4	-179.9	-67.3	-173.1	-180	-178	0.3	111.8	R125 Y131	R125-R129 PolarHBondContact O-N 3.03Å; R129-Y131 VanDerWaalsContact C-N 3.33Å; R129-Y131 PolarHBondContact O-N 2.91Å
130	G	53.6	Low	61.2	Low	53 Å²	53	69.8 Å²	69.8	55%	0.546	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	22.9	179.8	0	0	0	0	0	116.8
131	Y	55	Low	62	Low	95 Å²	95	70.8 Å²	70.8	37%	0.373	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	3.8	-169.2	-65.8	-79.1	0	0	0	115	F19 F27 R129	F19-Y131 HydrophobicContact CE2-CE2 4.41Å; F27-Y131 HydrophobicContact CE1-CE2 4.37Å; F27-Y131 AromaticContact CE2-CD2 3.64Å; F27-Y131 HydrophobicContact CE2-CD2 3.64Å; F27-Y131 AromaticContact CE2-CE2 3.45Å; F27-Y131 HydrophobicContact CE2-CE2 3.45Å; F27-Y131 VanDerWaalsContact CE2-CE2 3.45Å; F27-Y131 AromaticContact CZ-CD2 3.74Å; F27-Y131 HydrophobicContact CZ-CD2 3.74Å; F27-Y131 HydrophobicContact CZ-CE1 4.16Å; F27-Y131 AromaticContact CZ-CE2 3.2Å; F27-Y131 HydrophobicContact CZ-CE2 3.2Å; F27-Y131 HydrophobicContact CZ-CG 4.42Å; F27-Y131 AromaticContact CZ-CZ 3.43Å; F27-Y131 VanDerWaalsContact CZ-CZ 3.43Å; R129-Y131 VanDerWaalsContact C-N 3.33Å; R129-Y131 PolarHBondContact O-N 2.91Å
132	T	60.6	Low	63	Low	29 Å²	29	69.2 Å²	69.2	18%	0.178	35%	0.348	C	S	.	.	S	Bend	trans	-96.7	-18.6	-172.5	45.6	0	0	0	0	114.7	E122 N134 T135	E122-T132 WeakPolarHBondContact OE1-CB 3.1Å; E122-T132 PolarHBondContact OE1-OG1 3.48Å; T132-N134 PolarHBondContact O-N 2.78Å; T132-T135 PolarHBondContact O-OG1 2.65Å
133	L	58.2	Low	63.7	Low	45 Å²	45	68.5 Å²	68.5	24%	0.236	35%	0.345	C	S	.	.	H	α-helix	trans	-68.6	-35.4	-166.3	-90.6	140.8	0	0	0	116	E126 T135 E136 Y137	E126-L133 HydrophobicContact CG-CD1 4.16Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 2.85Å; L133-E136 PolarHBondContact O-N 2.83Å; L133-Y137 HydrophobicContact CD2-CE2 4.38Å; L133-Y137 WeakPolarHBondContact O-CD2 3.29Å
134	N	60.4	Low	64.7	Low	126 Å²	126	67.2 Å²	67.2	67%	0.674	33%	0.333	S	S	*	.	H	α-helix	trans	-70	-31.9	-169.5	-68.2	-4.9	0	0	0	112.8	T132 E136	T132-N134 PolarHBondContact O-N 2.78Å; N134-E136 VanDerWaalsContact C-N 3.33Å
135	T	68.4	Low	65.9	Low	16 Å²	16	62.1 Å²	62.1	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-76.3	-23.8	-177.9	51.6	0	0	0	0	112.6	R34 T132 L133 G138 I139	R34-T135 HydrophobicContact CB-CG2 3.92Å; T132-T135 PolarHBondContact O-OG1 2.65Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 2.85Å; T135-G138 PolarHBondContact O-N 3.39Å; T135-I139 WeakPolarHBondContact O-CG1 3.25Å; T135-I139 PolarHBondContact O-N 3.39Å; T135-I139 VanDerWaalsContact O-N 3.15Å
136	E	69.5	Low	67.2	Low	19 Å²	19	55 Å²	55	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-69.3	-41.8	-177.8	-62.7	178.3	175	0	0	112.4	R115 L133 N134 G138 I139 I140	R115-E136 IonicContact CZ-OE2 3.47Å; R115-E136 IonicContact NE-OE2 2.87Å; R115-E136 PolarHBondContact NE-OE2 3.38Å; R115-E136 IonicContact NH2-OE2 3.41Å; R115-E136 PolarHBondContact NH2-OE2 3.03Å; L133-E136 PolarHBondContact O-N 2.83Å; N134-E136 VanDerWaalsContact C-N 3.33Å; E136-G138 VanDerWaalsContact C-N 3.26Å; E136-G138 PolarHBondContact O-N 3.29Å; E136-I139 PolarHBondContact O-N 3.09Å; E136-I139 VanDerWaalsContact O-N 3.09Å; E136-I140 WeakPolarHBondContact O-CG1 3.34Å; E136-I140 PolarHBondContact O-N 3.06Å
137	Y	77.1	Confident	68.3	Low	118 Å²	118	51.4 Å²	51.4	46%	0.463	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-37.3	177	-68.1	-73.6	0	0	0	111.6	R115 L133 I139 I140 I141	R115-Y137 VanDerWaalsContact NH1-CZ 3.31Å; R115-Y137 PolarHBondContact NH1-OH 3.4Å; R115-Y137 VanDerWaalsContact NH2-CE2 3.3Å; R115-Y137 PolarHBondContact NH2-OH 3.27Å; L133-Y137 HydrophobicContact CD2-CE2 4.38Å; L133-Y137 WeakPolarHBondContact O-CD2 3.29Å; Y137-I139 VanDerWaalsContact C-N 3.35Å; Y137-I140 HydrophobicContact CD1-CD1 4.28Å; Y137-I140 PolarHBondContact O-N 3.01Å; Y137-I141 WeakPolarHBondContact O-CG1 3.23Å; Y137-I141 PolarHBondContact O-N 3.18Å
138	G	79.3	Confident	69.8	Low	13 Å²	13	44.2 Å²	44.2	13%	0.134	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-41.2	172.7	0	0	0	0	0	112.7	T135 E136 L142	T135-G138 PolarHBondContact O-N 3.39Å; E136-G138 VanDerWaalsContact C-N 3.26Å; E136-G138 PolarHBondContact O-N 3.29Å; G138-L142 WeakPolarHBondContact O-CB 3.31Å; G138-L142 PolarHBondContact O-N 3Å
139	I	78	Confident	71.2	Confident	42 Å²	42	40.2 Å²	40.2	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-40.5	177	-66	164.5	0	0	0	111.1	L38 F65 T135 E136 Y137 I141 L142 L143	L38-I139 HydrophobicContact CD1-CG1 4.14Å; F65-I139 HydrophobicContact CE1-CG2 3.78Å; F65-I139 HydrophobicContact CZ-CG2 4.3Å; T135-I139 WeakPolarHBondContact O-CG1 3.25Å; T135-I139 PolarHBondContact O-N 3.39Å; T135-I139 VanDerWaalsContact O-N 3.15Å; E136-I139 PolarHBondContact O-N 3.09Å; E136-I139 VanDerWaalsContact O-N 3.09Å; Y137-I139 VanDerWaalsContact C-N 3.35Å; I139-I141 VanDerWaalsContact C-N 3.32Å; I139-I141 PolarHBondContact O-N 3.15Å; I139-L142 PolarHBondContact O-N 3.37Å; I139-L143 VanDerWaalsContact O-CB 3.25Å; I139-L143 WeakPolarHBondContact O-CB 3.22Å; I139-L143 PolarHBondContact O-N 3.4Å
140	I	78.9	Confident	72.6	Confident	14 Å²	14	37.2 Å²	37.2	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-56	-48	176.5	-74.6	166.5	0	0	0	110.9	C113 R115 E136 Y137 S144 I167	C113-I140 HydrophobicContact CB-CD1 4.18Å; C113-I140 HydrophobicContact CB-CG1 3.61Å; C113-I140 WeakPolarHBondContact SG-CG1 3.47Å; R115-I140 HydrophobicContact CG-CD1 4.21Å; E136-I140 WeakPolarHBondContact O-CG1 3.34Å; E136-I140 PolarHBondContact O-N 3.06Å; Y137-I140 HydrophobicContact CD1-CD1 4.28Å; Y137-I140 PolarHBondContact O-N 3.01Å; I140-S144 WeakPolarHBondContact O-CB 3.47Å; I140-S144 PolarHBondContact O-N 2.75Å; I140-S144 PolarHBondContact O-OG 3.2Å; I140-I167 HydrophobicContact CG2-CD1 3.27Å
141	I	83.6	Confident	73.5	Confident	64 Å²	64	37.3 Å²	37.3	33%	0.328	19%	0.188	S	C	.	.	H	α-helix	trans	-66	-48.5	-179.9	-65	167	0	0	0	109.7	W42 Y137 I139 L143 S144 I145 I164	W42-I141 HydrophobicContact CH2-CB 4.5Å; W42-I141 HydrophobicContact CH2-CG2 3.61Å; W42-I141 HydrophobicContact CZ2-CB 4.1Å; W42-I141 HydrophobicContact CZ2-CG2 3.69Å; Y137-I141 WeakPolarHBondContact O-CG1 3.23Å; Y137-I141 PolarHBondContact O-N 3.18Å; I139-I141 VanDerWaalsContact C-N 3.32Å; I139-I141 PolarHBondContact O-N 3.15Å; I141-L143 VanDerWaalsContact C-N 3.35Å; I141-L143 PolarHBondContact O-N 3.29Å; I141-S144 WeakPolarHBondContact O-CB 3.37Å; I141-S144 PolarHBondContact O-N 2.97Å; I141-I145 HydrophobicContact CG2-CD1 3.83Å; I141-I145 WeakPolarHBondContact O-CG1 3.39Å; I141-I145 PolarHBondContact O-N 3.22Å; I141-I164 HydrophobicContact CG1-CD1 4.36Å; I141-I164 HydrophobicContact CG2-CD1 4.38Å
142	L	81.5	Confident	74.6	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-46.6	179.9	-178.3	141.6	0	0	0	112.2	F41 W42 F65 G138 I139 S144 I145 L146	F41-L142 HydrophobicContact CB-CD1 3.44Å; F41-L142 VanDerWaalsContact CB-CD1 3.44Å; W42-L142 HydrophobicContact CG-CD1 4.12Å; F65-L142 HydrophobicContact CE2-CD2 3.61Å; F65-L142 HydrophobicContact CZ-CD2 3.88Å; G138-L142 WeakPolarHBondContact O-CB 3.31Å; G138-L142 PolarHBondContact O-N 3Å; I139-L142 PolarHBondContact O-N 3.37Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-S144 PolarHBondContact O-N 3.26Å; L142-I145 PolarHBondContact O-N 3.47Å; L142-L146 HydrophobicContact CD2-CD1 3.56Å; L142-L146 HydrophobicContact CD2-CG 4.24Å; L142-L146 HydrophobicContact CG-CD1 4.47Å; L142-L146 PolarHBondContact O-N 3.39Å
143	L	78.7	Confident	75.2	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-33.8	-179.4	-173.3	55.9	0	0	0	112.2	F105 S109 Q112 I139 I141 I145 F147	F105-L143 HydrophobicContact CE1-CD1 3.89Å; F105-L143 HydrophobicContact CE1-CG 4.29Å; F105-L143 HydrophobicContact CZ-CD1 3.84Å; S109-L143 VanDerWaalsContact CB-CD2 3.42Å; Q112-L143 HydrophobicContact CB-CD2 4.48Å; Q112-L143 VanDerWaalsContact OE1-CD2 3.22Å; I139-L143 VanDerWaalsContact O-CB 3.25Å; I139-L143 WeakPolarHBondContact O-CB 3.22Å; I139-L143 PolarHBondContact O-N 3.4Å; I141-L143 VanDerWaalsContact C-N 3.35Å; I141-L143 PolarHBondContact O-N 3.29Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-F147 WeakPolarHBondContact O-CB 2.87Å; L143-F147 PolarHBondContact O-N 3.39Å
144	S	80.3	Confident	76	Confident	7 Å²	7	41.7 Å²	41.7	5%	0.049	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-37	173.8	-58.8	0	0	0	0	111.9	I140 I141 L142 S148	I140-S144 WeakPolarHBondContact O-CB 3.47Å; I140-S144 PolarHBondContact O-N 2.75Å; I140-S144 PolarHBondContact O-OG 3.2Å; I141-S144 WeakPolarHBondContact O-CB 3.37Å; I141-S144 PolarHBondContact O-N 2.97Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-S144 PolarHBondContact O-N 3.26Å; S144-S148 VanDerWaalsContact O-CB 3.31Å; S144-S148 WeakPolarHBondContact O-CB 3.16Å; S144-S148 PolarHBondContact O-N 3.37Å; S144-S148 VanDerWaalsContact O-N 3.15Å
145	I	81.4	Confident	77	Confident	21 Å²	21	38.4 Å²	38.4	11%	0.108	20%	0.201	C	C	.	.	H	α-helix	trans	-70.5	-47.5	175.3	-64.8	165.6	0	0	0	110.5	W42 L45 I141 L142 L143 F147 S148 F149 V156	W42-I145 HydrophobicContact CH2-CD1 4.14Å; W42-I145 HydrophobicContact CZ3-CD1 4.35Å; L45-I145 HydrophobicContact CD1-CD1 4.32Å; L45-I145 HydrophobicContact CD1-CG2 4.21Å; L45-I145 HydrophobicContact CD2-CG2 4.01Å; I141-I145 HydrophobicContact CG2-CD1 3.83Å; I141-I145 WeakPolarHBondContact O-CG1 3.39Å; I141-I145 PolarHBondContact O-N 3.22Å; L142-I145 PolarHBondContact O-N 3.47Å; L143-I145 VanDerWaalsContact C-N 3.35Å; I145-F147 VanDerWaalsContact C-N 3.32Å; I145-F147 PolarHBondContact O-N 3.36Å; I145-S148 VanDerWaalsContact O-CB 3.29Å; I145-S148 WeakPolarHBondContact O-CB 3.3Å; I145-S148 PolarHBondContact O-N 3.39Å; I145-S148 VanDerWaalsContact O-N 3.12Å; I145-F149 HydrophobicContact CG2-CD2 3.82Å; I145-F149 HydrophobicContact CG2-CE2 3.68Å; I145-F149 WeakPolarHBondContact O-CD2 3.04Å; I145-F149 PolarHBondContact O-N 3.35Å; I145-V156 HydrophobicContact CG2-CG1 4.18Å
146	L	77.4	Confident	77.7	Confident	3 Å²	3	38 Å²	38	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-43.6	177.1	-75.7	178.3	0	0	0	112	L45 F65 L142 S148 F149 I150	L45-L146 HydrophobicContact CD2-CD2 3.5Å; L45-L146 VanDerWaalsContact CD2-CD2 3.5Å; L45-L146 HydrophobicContact CD2-CG 3.84Å; F65-L146 HydrophobicContact CE2-CD1 4.5Å; L142-L146 HydrophobicContact CD2-CD1 3.56Å; L142-L146 HydrophobicContact CD2-CG 4.24Å; L142-L146 HydrophobicContact CG-CD1 4.47Å; L142-L146 PolarHBondContact O-N 3.39Å; L146-S148 VanDerWaalsContact C-N 3.28Å; L146-S148 PolarHBondContact O-N 3.06Å; L146-F149 PolarHBondContact O-N 3.35Å; L146-I150 WeakPolarHBondContact O-CG1 3.48Å; L146-I150 PolarHBondContact O-N 2.96Å
147	F	74.8	Confident	78.3	Confident	11 Å²	11	42.9 Å²	42.9	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-44.9	176	-173.7	-134.5	0	0	0	111.7	I102 F105 L143 I145 F149 I150 V151 L163	I102-F147 HydrophobicContact CB-CZ 4.14Å; I102-F147 HydrophobicContact CG1-CZ 3.92Å; I102-F147 HydrophobicContact CG2-CE1 4.27Å; I102-F147 HydrophobicContact CG2-CZ 4.15Å; F105-F147 HydrophobicContact CB-CD2 3.72Å; F105-F147 HydrophobicContact CB-CE2 3.32Å; F105-F147 HydrophobicContact CB-CZ 3.99Å; F105-F147 HydrophobicContact CD1-CB 3.7Å; F105-F147 HydrophobicContact CD1-CD1 4.03Å; F105-F147 AromaticContact CD1-CD2 2.96Å; F105-F147 HydrophobicContact CD1-CD2 2.96Å; F105-F147 AromaticContact CD1-CE2 3.55Å; F105-F147 HydrophobicContact CD1-CE2 3.55Å; F105-F147 AromaticContact CD1-CG 3.26Å; F105-F147 HydrophobicContact CD1-CG 3.26Å; F105-F147 HydrophobicContact CD1-CZ 4.31Å; F105-F147 AromaticContact CD2-CD2 3.61Å; F105-F147 HydrophobicContact CD2-CD2 3.61Å; F105-F147 AromaticContact CD2-CE2 3.96Å; F105-F147 HydrophobicContact CD2-CE2 3.96Å; F105-F147 HydrophobicContact CE1-CB 3.27Å; F105-F147 HydrophobicContact CE1-CD1 4.46Å; F105-F147 AromaticContact CE1-CD2 3.38Å; F105-F147 HydrophobicContact CE1-CD2 3.38Å; F105-F147 HydrophobicContact CE1-CE2 4.37Å; F105-F147 AromaticContact CE1-CG 3.44Å; F105-F147 HydrophobicContact CE1-CG 3.44Å; F105-F147 VanDerWaalsContact CE1-CG 3.44Å; F105-F147 AromaticContact CE2-CD2 3.91Å; F105-F147 HydrophobicContact CE2-CD2 3.91Å; F105-F147 AromaticContact CG-CD2 3.1Å; F105-F147 HydrophobicContact CG-CD2 3.1Å; F105-F147 AromaticContact CG-CE2 3.31Å; F105-F147 HydrophobicContact CG-CE2 3.31Å; F105-F147 AromaticContact CG-CG 3.93Å; F105-F147 HydrophobicContact CG-CG 3.93Å; F105-F147 HydrophobicContact CG-CZ 4.28Å; F105-F147 HydrophobicContact CZ-CB 3.83Å; F105-F147 AromaticContact CZ-CD2 3.8Å; F105-F147 HydrophobicContact CZ-CD2 3.8Å; F105-F147 HydrophobicContact CZ-CG 4.15Å; L143-F147 WeakPolarHBondContact O-CB 2.87Å; L143-F147 PolarHBondContact O-N 3.39Å; I145-F147 VanDerWaalsContact C-N 3.32Å; I145-F147 PolarHBondContact O-N 3.36Å; F147-F149 VanDerWaalsContact C-N 3.27Å; F147-F149 PolarHBondContact O-N 3.34Å; F147-I150 PolarHBondContact O-N 3.07Å; F147-V151 HydrophobicContact CD1-CG2 4.39Å; F147-V151 HydrophobicContact CD2-CG2 3.79Å; F147-V151 HydrophobicContact CE1-CG2 3.89Å; F147-V151 HydrophobicContact CE2-CG2 3.25Å; F147-V151 HydrophobicContact CG-CG2 4.33Å; F147-V151 HydrophobicContact CZ-CG2 3.27Å; F147-V151 WeakPolarHBondContact O-CG2 3.22Å; F147-V151 PolarHBondContact O-N 3.49Å; F147-L163 HydrophobicContact CB-CD1 4.36Å; F147-L163 HydrophobicContact CD1-CD1 3.44Å; F147-L163 VanDerWaalsContact CD1-CD1 3.44Å; F147-L163 HydrophobicContact CD1-CD2 3.7Å; F147-L163 HydrophobicContact CD1-CG 4.19Å; F147-L163 HydrophobicContact CE1-CD1 4.14Å; F147-L163 HydrophobicContact CE1-CD2 3.75Å; F147-L163 HydrophobicContact CG-CD1 4.35Å
148	S	78.5	Confident	78.6	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-37.8	179.8	-177.6	0	0	0	0	112.5	S144 I145 L146 I150 V152 V156 T159	S144-S148 VanDerWaalsContact O-CB 3.31Å; S144-S148 WeakPolarHBondContact O-CB 3.16Å; S144-S148 PolarHBondContact O-N 3.37Å; S144-S148 VanDerWaalsContact O-N 3.15Å; I145-S148 VanDerWaalsContact O-CB 3.29Å; I145-S148 WeakPolarHBondContact O-CB 3.3Å; I145-S148 PolarHBondContact O-N 3.39Å; I145-S148 VanDerWaalsContact O-N 3.12Å; L146-S148 VanDerWaalsContact C-N 3.28Å; L146-S148 PolarHBondContact O-N 3.06Å; S148-I150 VanDerWaalsContact C-N 3.3Å; S148-I150 PolarHBondContact O-N 3.46Å; S148-V152 CarbonylContact O-C 3.31Å; S148-V152 VanDerWaalsContact O-C 3.31Å; S148-V152 PolarHBondContact O-N 3.46Å; S148-V156 VanDerWaalsContact OG-CA 3.23Å; S148-V156 WeakPolarHBondContact OG-CA 3.45Å; S148-V156 PolarHBondContact OG-O 3.02Å; S148-T159 WeakPolarHBondContact OG-CB 3.36Å; S148-T159 PolarHBondContact OG-OG1 2.87Å
149	F	75.8	Confident	78.7	Confident	14 Å²	14	44 Å²	44	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-35.5	173.8	-90.4	-73.5	0	0	0	112.8	P46 M58 I145 L146 F147 V156	P46-F149 HydrophobicContact CB-CE1 4.48Å; P46-F149 HydrophobicContact CG-CD1 4.03Å; P46-F149 HydrophobicContact CG-CD2 4.4Å; P46-F149 HydrophobicContact CG-CE1 3.87Å; P46-F149 HydrophobicContact CG-CE2 4.25Å; P46-F149 HydrophobicContact CG-CG 4.33Å; P46-F149 HydrophobicContact CG-CZ 4.04Å; P46-F149 WeakPolarHBondContact O-CE2 3.45Å; P46-F149 WeakPolarHBondContact O-CZ 3.3Å; M58-F149 HydrophobicContact CE-CB 4.31Å; I145-F149 HydrophobicContact CG2-CD2 3.82Å; I145-F149 HydrophobicContact CG2-CE2 3.68Å; I145-F149 WeakPolarHBondContact O-CD2 3.04Å; I145-F149 PolarHBondContact O-N 3.35Å; L146-F149 PolarHBondContact O-N 3.35Å; F147-F149 VanDerWaalsContact C-N 3.27Å; F147-F149 PolarHBondContact O-N 3.34Å; F149-V156 HydrophobicContact CD1-CG2 3.75Å; F149-V156 HydrophobicContact CD2-CG1 3.88Å; F149-V156 HydrophobicContact CD2-CG2 4.18Å; F149-V156 HydrophobicContact CE1-CG2 3.62Å; F149-V156 HydrophobicContact CE2-CB 4.35Å; F149-V156 HydrophobicContact CE2-CG1 3.53Å; F149-V156 HydrophobicContact CE2-CG2 4.06Å; F149-V156 HydrophobicContact CG-CG2 4Å; F149-V156 HydrophobicContact CZ-CB 4.21Å; F149-V156 HydrophobicContact CZ-CG1 3.86Å; F149-V156 HydrophobicContact CZ-CG2 3.72Å
150	I	74.1	Confident	78.9	Confident	87 Å²	87	42.7 Å²	42.7	45%	0.446	23%	0.23	S	C	.	.	H	α-helix	trans	-73.3	-40.8	179.3	-64.6	166.2	0	0	0	111.2	L62 F105 L146 F147 S148	L62-I150 HydrophobicContact CD1-CD1 4.45Å; L62-I150 HydrophobicContact CD2-CD1 4.16Å; F105-I150 HydrophobicContact CE2-CD1 3.96Å; F105-I150 HydrophobicContact CZ-CD1 4.44Å; L146-I150 WeakPolarHBondContact O-CG1 3.48Å; L146-I150 PolarHBondContact O-N 2.96Å; F147-I150 PolarHBondContact O-N 3.07Å; S148-I150 VanDerWaalsContact C-N 3.3Å; S148-I150 PolarHBondContact O-N 3.46Å
151	V	72.9	Confident	79.2	Confident	55 Å²	55	44.6 Å²	44.6	33%	0.333	25%	0.245	S	C	.	.	H	α-helix	trans	-82.4	-50.7	-174.9	-173.3	0	0	0	0	112.5	F147	F147-V151 HydrophobicContact CD1-CG2 4.39Å; F147-V151 HydrophobicContact CD2-CG2 3.79Å; F147-V151 HydrophobicContact CE1-CG2 3.89Å; F147-V151 HydrophobicContact CE2-CG2 3.25Å; F147-V151 HydrophobicContact CG-CG2 4.33Å; F147-V151 HydrophobicContact CZ-CG2 3.27Å; F147-V151 WeakPolarHBondContact O-CG2 3.22Å; F147-V151 PolarHBondContact O-N 3.49Å
152	V	76.3	Confident	79.2	Confident	50 Å²	50	44.3 Å²	44.3	30%	0.303	25%	0.246	S	C	.	.			trans	-144	89.6	-178.4	-171.4	0	0	0	0	109.5	S148 Q154 V155	S148-V152 CarbonylContact O-C 3.31Å; S148-V152 VanDerWaalsContact O-C 3.31Å; S148-V152 PolarHBondContact O-N 3.46Å; V152-Q154 HydrophobicContact CG1-CB 4.45Å; V152-Q154 PolarHBondContact O-N 3.26Å; V152-Q154 VanDerWaalsContact O-N 3.14Å; V152-V155 HydrophobicContact CG1-CB 4.29Å; V152-V155 HydrophobicContact CG1-CG2 3.99Å; V152-V155 PolarHBondContact O-N 3.04Å
153	P	75	Confident	79.2	Confident	54 Å²	54	44.9 Å²	44.9	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.2	-176.8	26.7	-35.1	0	0	0	113.5	I52 V156	I52-P153 HydrophobicContact CD1-CB 3.83Å; I52-P153 HydrophobicContact CD1-CG 4.32Å; P153-V156 WeakPolarHBondContact O-CG2 3.35Å
154	Q	74.8	Confident	79.4	Confident	156 Å²	156	47.6 Å²	47.6	73%	0.729	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.9	-179.1	-68.4	178.6	-15	0	0	113.7	Y49 V152	Y49-Q154 WeakPolarHBondContact CE1-O 3.42Å; V152-Q154 HydrophobicContact CG1-CB 4.45Å; V152-Q154 PolarHBondContact O-N 3.26Å; V152-Q154 VanDerWaalsContact O-N 3.14Å
155	V	81	Confident	79.5	Confident	57 Å²	57	51.6 Å²	51.6	35%	0.345	29%	0.287	S	S	.	.	S	Bend	trans	-131.6	39.5	-168.3	-155.2	0	0	0	0	112	V152 I157 L158 T159	V152-V155 HydrophobicContact CG1-CB 4.29Å; V152-V155 HydrophobicContact CG1-CG2 3.99Å; V152-V155 PolarHBondContact O-N 3.04Å; V155-I157 VanDerWaalsContact C-N 3.31Å; V155-I157 PolarHBondContact O-N 3.33Å; V155-L158 HydrophobicContact CG1-CB 3.75Å; V155-L158 HydrophobicContact CG1-CD1 3.44Å; V155-L158 VanDerWaalsContact CG1-CD1 3.44Å; V155-L158 HydrophobicContact CG1-CG 3.96Å; V155-L158 PolarHBondContact O-N 3.16Å; V155-L158 VanDerWaalsContact O-N 3.16Å; V155-T159 PolarHBondContact O-N 3.06Å; V155-T159 VanDerWaalsContact O-N 3.16Å; V155-T159 PolarHBondContact O-OG1 3.35Å
156	V	81.8	Confident	79	Confident	8 Å²	8	57 Å²	57	5%	0.048	31%	0.306	C	S	.	.	H	α-helix	trans	-57.1	-41	-165.5	172.1	0	0	0	0	113.8	I145 S148 F149 P153 T159 S160	I145-V156 HydrophobicContact CG2-CG1 4.18Å; S148-V156 VanDerWaalsContact OG-CA 3.23Å; S148-V156 WeakPolarHBondContact OG-CA 3.45Å; S148-V156 PolarHBondContact OG-O 3.02Å; F149-V156 HydrophobicContact CD1-CG2 3.75Å; F149-V156 HydrophobicContact CD2-CG1 3.88Å; F149-V156 HydrophobicContact CD2-CG2 4.18Å; F149-V156 HydrophobicContact CE1-CG2 3.62Å; F149-V156 HydrophobicContact CE2-CB 4.35Å; F149-V156 HydrophobicContact CE2-CG1 3.53Å; F149-V156 HydrophobicContact CE2-CG2 4.06Å; F149-V156 HydrophobicContact CG-CG2 4Å; F149-V156 HydrophobicContact CZ-CB 4.21Å; F149-V156 HydrophobicContact CZ-CG1 3.86Å; F149-V156 HydrophobicContact CZ-CG2 3.72Å; P153-V156 WeakPolarHBondContact O-CG2 3.35Å; V156-T159 PolarHBondContact O-OG1 2.96Å; V156-S160 WeakPolarHBondContact O-CB 3.29Å; V156-S160 PolarHBondContact O-N 3.14Å; V156-S160 PolarHBondContact O-OG 2.95Å
157	I	83.7	Confident	79.1	Confident	122 Å²	122	58 Å²	58	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-66.4	-43.2	-176.4	-60.3	171.9	0	0	0	110.6	V155 S160 S161	V155-I157 VanDerWaalsContact C-N 3.31Å; V155-I157 PolarHBondContact O-N 3.33Å; I157-S160 WeakPolarHBondContact CA-OG 2.76Å; I157-S160 PolarHBondContact O-OG 2.78Å; I157-S161 PolarHBondContact O-N 3.17Å; I157-S161 VanDerWaalsContact O-N 3.08Å; I157-S161 PolarHBondContact O-OG 3.34Å
158	L	83.2	Confident	79.1	Confident	114 Å²	114	60.5 Å²	60.5	60%	0.597	33%	0.328	S	S	*	.	H	α-helix	trans	-68.2	-49	-179.6	-70.4	171.3	0	0	0	110.6	V155 S160 S161 V162	V155-L158 HydrophobicContact CG1-CB 3.75Å; V155-L158 HydrophobicContact CG1-CD1 3.44Å; V155-L158 VanDerWaalsContact CG1-CD1 3.44Å; V155-L158 HydrophobicContact CG1-CG 3.96Å; V155-L158 PolarHBondContact O-N 3.16Å; V155-L158 VanDerWaalsContact O-N 3.16Å; L158-S160 PolarHBondContact O-N 3.24Å; L158-S161 PolarHBondContact O-N 3.41Å; L158-S161 PolarHBondContact O-OG 3.35Å; L158-V162 WeakPolarHBondContact O-CG2 3.17Å; L158-V162 PolarHBondContact O-N 3.32Å; L158-V162 VanDerWaalsContact O-N 3.15Å
159	T	80.8	Confident	79.1	Confident	41 Å²	41	67 Å²	67	25%	0.252	36%	0.357	S	S	.	.	H	α-helix	trans	-64.1	-39	179.6	36.4	0	0	0	0	112.2	S148 V155 V156 V162 L163	S148-T159 WeakPolarHBondContact OG-CB 3.36Å; S148-T159 PolarHBondContact OG-OG1 2.87Å; V155-T159 PolarHBondContact O-N 3.06Å; V155-T159 VanDerWaalsContact O-N 3.16Å; V155-T159 PolarHBondContact O-OG1 3.35Å; V156-T159 PolarHBondContact O-OG1 2.96Å; T159-V162 PolarHBondContact O-N 3Å; T159-L163 WeakPolarHBondContact O-CD1 3.34Å; T159-L163 WeakPolarHBondContact O-CG 3.08Å; T159-L163 PolarHBondContact O-N 3.29Å
160	S	83	Confident	78.9	Confident	13 Å²	13	68.5 Å²	68.5	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-41.2	175.2	59.2	0	0	0	0	113	V156 I157 L158 V162 L163 I164	V156-S160 WeakPolarHBondContact O-CB 3.29Å; V156-S160 PolarHBondContact O-N 3.14Å; V156-S160 PolarHBondContact O-OG 2.95Å; I157-S160 WeakPolarHBondContact CA-OG 2.76Å; I157-S160 PolarHBondContact O-OG 2.78Å; L158-S160 PolarHBondContact O-N 3.24Å; S160-V162 VanDerWaalsContact C-N 3.33Å; S160-V162 PolarHBondContact O-N 3.47Å; S160-L163 PolarHBondContact O-N 3.45Å; S160-L163 VanDerWaalsContact O-N 3.15Å; S160-I164 VanDerWaalsContact O-CG1 3.3Å; S160-I164 WeakPolarHBondContact O-CG1 3.39Å; S160-I164 PolarHBondContact O-N 3.42Å
161	S	84.1	Confident	79	Confident	54 Å²	54	70 Å²	70	38%	0.378	37%	0.366	S	S	.	.	H	α-helix	trans	-62.1	-39	176.1	73.6	0	0	0	0	112.7	I157 L158 L163 T165	I157-S161 PolarHBondContact O-N 3.17Å; I157-S161 VanDerWaalsContact O-N 3.08Å; I157-S161 PolarHBondContact O-OG 3.34Å; L158-S161 PolarHBondContact O-N 3.41Å; L158-S161 PolarHBondContact O-OG 3.35Å; S161-L163 VanDerWaalsContact C-N 3.34Å; S161-T165 VanDerWaalsContact O-CG2 3.3Å; S161-T165 WeakPolarHBondContact O-CG2 3.4Å; S161-T165 PolarHBondContact O-N 3.28Å; S161-T165 VanDerWaalsContact O-N 3.12Å; S161-T165 PolarHBondContact O-OG1 3.42Å
162	V	84.8	Confident	79.2	Confident	58 Å²	58	76.3 Å²	76.3	35%	0.352	39%	0.385	S	S	.	.	H	α-helix	trans	-66.4	-37.2	174.9	173.7	0	0	0	0	111.1	L158 T159 S160 T165 R166	L158-V162 WeakPolarHBondContact O-CG2 3.17Å; L158-V162 PolarHBondContact O-N 3.32Å; L158-V162 VanDerWaalsContact O-N 3.15Å; T159-V162 PolarHBondContact O-N 3Å; S160-V162 VanDerWaalsContact C-N 3.33Å; S160-V162 PolarHBondContact O-N 3.47Å; V162-T165 WeakPolarHBondContact CA-OG1 3.43Å; V162-T165 PolarHBondContact O-OG1 2.92Å; V162-R166 WeakPolarHBondContact O-CB 3.36Å; V162-R166 WeakPolarHBondContact O-CD 3.42Å; V162-R166 WeakPolarHBondContact O-CG 3.37Å; V162-R166 PolarHBondContact O-N 2.93Å
163	L	80.3	Confident	79.4	Confident	14 Å²	14	77.4 Å²	77.4	7%	0.073	39%	0.392	C	S	.	.	H	α-helix	trans	-70.7	-41.9	179.2	-69.9	161.8	0	0	0	112.6	R106 F147 T159 S160 S161 R166 I167	R106-L163 PolarHBondContact NH1-O 3.09Å; R106-L163 PolarHBondContact NH2-O 3.45Å; R106-L163 VanDerWaalsContact NH2-O 3.09Å; F147-L163 HydrophobicContact CB-CD1 4.36Å; F147-L163 HydrophobicContact CD1-CD1 3.44Å; F147-L163 VanDerWaalsContact CD1-CD1 3.44Å; F147-L163 HydrophobicContact CD1-CD2 3.7Å; F147-L163 HydrophobicContact CD1-CG 4.19Å; F147-L163 HydrophobicContact CE1-CD1 4.14Å; F147-L163 HydrophobicContact CE1-CD2 3.75Å; F147-L163 HydrophobicContact CG-CD1 4.35Å; T159-L163 WeakPolarHBondContact O-CD1 3.34Å; T159-L163 WeakPolarHBondContact O-CG 3.08Å; T159-L163 PolarHBondContact O-N 3.29Å; S160-L163 PolarHBondContact O-N 3.45Å; S160-L163 VanDerWaalsContact O-N 3.15Å; S161-L163 VanDerWaalsContact C-N 3.34Å; L163-R166 PolarHBondContact O-N 3.14Å; L163-I167 WeakPolarHBondContact O-CG1 3.24Å
164	I	84	Confident	79.3	Confident	60 Å²	60	78.4 Å²	78.4	31%	0.308	39%	0.393	S	S	.	.	H	α-helix	trans	-63.6	-48.1	178.4	-66.9	165.6	0	0	0	110	I141 S160 R166 I167 P168	I141-I164 HydrophobicContact CG1-CD1 4.36Å; I141-I164 HydrophobicContact CG2-CD1 4.38Å; S160-I164 VanDerWaalsContact O-CG1 3.3Å; S160-I164 WeakPolarHBondContact O-CG1 3.39Å; S160-I164 PolarHBondContact O-N 3.42Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 2.96Å; I164-I167 WeakPolarHBondContact O-CB 3.4Å; I164-I167 PolarHBondContact O-N 2.86Å; I164-I167 VanDerWaalsContact O-N 3.11Å; I164-P168 WeakPolarHBondContact O-CD 3.38Å
165	T	81.5	Confident	79.3	Confident	91 Å²	91	75.4 Å²	75.4	56%	0.558	39%	0.387	S	S	*	.	H	α-helix	trans	-64.3	-30.3	180	50.8	0	0	0	0	113.3	S161 V162 I167 P168	S161-T165 VanDerWaalsContact O-CG2 3.3Å; S161-T165 WeakPolarHBondContact O-CG2 3.4Å; S161-T165 PolarHBondContact O-N 3.28Å; S161-T165 VanDerWaalsContact O-N 3.12Å; S161-T165 PolarHBondContact O-OG1 3.42Å; V162-T165 WeakPolarHBondContact CA-OG1 3.43Å; V162-T165 PolarHBondContact O-OG1 2.92Å; T165-I167 VanDerWaalsContact C-N 3.28Å; T165-I167 PolarHBondContact O-N 3.32Å; T165-P168 VanDerWaalsContact O-CD 3.27Å; T165-P168 WeakPolarHBondContact O-CD 3.39Å; T165-P168 VanDerWaalsContact O-CG 3.31Å; T165-P168 WeakPolarHBondContact O-CG 3.44Å
166	R	71.8	Confident	79.1	Confident	133 Å²	133	80.8 Å²	80.8	50%	0.502	40%	0.401	S	S	.	.	H	α-helix	trans	-70.2	-19.4	174.9	-75.7	172.8	-178.7	-179	2.5	113.9	R106 V162 L163 I164 F169 L170	R106-R166 VanDerWaalsContact NH2-CB 3.32Å; R106-R166 PolarHBondContact NH2-O 3.29Å; V162-R166 WeakPolarHBondContact O-CB 3.36Å; V162-R166 WeakPolarHBondContact O-CD 3.42Å; V162-R166 WeakPolarHBondContact O-CG 3.37Å; V162-R166 PolarHBondContact O-N 2.93Å; L163-R166 PolarHBondContact O-N 3.14Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 2.96Å; R166-F169 PolarHBondContact O-N 3.1Å; R166-L170 WeakPolarHBondContact O-CG 3.4Å; R166-L170 PolarHBondContact O-N 3.2Å
167	I	78	Confident	78.5	Confident	24 Å²	24	83.5 Å²	83.5	12%	0.123	41%	0.413	C	S	.	.	H	α-helix	trans	-66.2	-54.3	-178	-65	172.6	0	0	0	111.5	I140 L163 I164 T165 F169 L170 R171	I140-I167 HydrophobicContact CG2-CD1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.24Å; I164-I167 WeakPolarHBondContact O-CB 3.4Å; I164-I167 PolarHBondContact O-N 2.86Å; I164-I167 VanDerWaalsContact O-N 3.11Å; T165-I167 VanDerWaalsContact C-N 3.28Å; T165-I167 PolarHBondContact O-N 3.32Å; I167-F169 PolarHBondContact O-N 3.23Å; I167-L170 PolarHBondContact O-N 3.48Å; I167-R171 PolarHBondContact O-N 3.35Å
168	P	75.4	Confident	78.2	Confident	64 Å²	64	86.1 Å²	86.1	42%	0.416	42%	0.415	S	S	.	.	H	α-helix	trans	-62.4	-33.6	176	24.3	-33.5	0	0	0	111.4	I164 T165 L170 R171 Y172	I164-P168 WeakPolarHBondContact O-CD 3.38Å; T165-P168 VanDerWaalsContact O-CD 3.27Å; T165-P168 WeakPolarHBondContact O-CD 3.39Å; T165-P168 VanDerWaalsContact O-CG 3.31Å; T165-P168 WeakPolarHBondContact O-CG 3.44Å; P168-L170 PolarHBondContact O-N 3.09Å; P168-R171 WeakPolarHBondContact O-CB 3.44Å; P168-R171 PolarHBondContact O-N 3.2Å; P168-Y172 HydrophobicContact CB-CE2 4.41Å; P168-Y172 WeakPolarHBondContact O-CD2 3.4Å; P168-Y172 VanDerWaalsContact O-CE2 3.31Å; P168-Y172 WeakPolarHBondContact O-CE2 3.36Å; P168-Y172 PolarHBondContact O-N 3.46Å
169	F	78.9	Confident	77.6	Confident	138 Å²	138	86.5 Å²	86.5	61%	0.605	41%	0.409	S	S	*	.	H	α-helix	trans	-60.2	-46.1	175.6	-171.1	-99.1	0	0	0	112.3	R166 I167 R171 Y172 T173	R166-F169 PolarHBondContact O-N 3.1Å; I167-F169 PolarHBondContact O-N 3.23Å; F169-R171 VanDerWaalsContact C-N 3.27Å; F169-R171 PolarHBondContact O-N 3.27Å; F169-Y172 PolarHBondContact O-N 3.02Å; F169-Y172 VanDerWaalsContact O-N 3.1Å; F169-T173 HydrophobicContact CD1-CG2 4.11Å; F169-T173 HydrophobicContact CE1-CG2 3.72Å; F169-T173 HydrophobicContact CZ-CG2 4.12Å; F169-T173 PolarHBondContact O-N 3.02Å
170	L	71.6	Confident	77.4	Confident	45 Å²	45	89 Å²	89	24%	0.236	42%	0.421	C	S	.	.	H	α-helix	trans	-63.9	-31.5	178.7	-75	164.5	0	0	0	113.2	R106 H110 R166 I167 P168 Y172 T173 L174	R106-L170 HydrophobicContact CG-CD1 4.37Å; R106-L170 VanDerWaalsContact NE-CD1 3.32Å; H110-L170 WeakPolarHBondContact NE2-CD1 3.38Å; R166-L170 WeakPolarHBondContact O-CG 3.4Å; R166-L170 PolarHBondContact O-N 3.2Å; I167-L170 PolarHBondContact O-N 3.48Å; P168-L170 PolarHBondContact O-N 3.09Å; L170-Y172 VanDerWaalsContact C-N 3.26Å; L170-Y172 PolarHBondContact O-N 3.15Å; L170-T173 WeakPolarHBondContact CA-OG1 3.45Å; L170-T173 PolarHBondContact O-N 3.27Å; L170-T173 PolarHBondContact O-OG1 3.46Å; L170-L174 HydrophobicContact CD2-CD1 4.45Å; L170-L174 PolarHBondContact O-N 3.35Å; L170-L174 VanDerWaalsContact O-N 3.16Å
171	R	75.6	Confident	76.9	Confident	120 Å²	120	92.5 Å²	92.5	45%	0.453	44%	0.435	S	S	.	.	H	α-helix	trans	-60.2	-34.8	173.3	170.4	164	-149.4	-156.2	11.9	112.7	T116 D119 I167 P168 F169	T116-R171 HydrophobicContact CG2-CG 4.11Å; T116-R171 WeakPolarHBondContact OG1-CA 3.07Å; T116-R171 WeakPolarHBondContact OG1-CB 3.45Å; T116-R171 WeakPolarHBondContact OG1-CD 3.42Å; T116-R171 WeakPolarHBondContact OG1-CG 3.31Å; D119-R171 IonicContact OD2-NH2 2.69Å; D119-R171 PolarHBondContact OD2-NH2 3.06Å; I167-R171 PolarHBondContact O-N 3.35Å; P168-R171 WeakPolarHBondContact O-CB 3.44Å; P168-R171 PolarHBondContact O-N 3.2Å; F169-R171 VanDerWaalsContact C-N 3.27Å; F169-R171 PolarHBondContact O-N 3.27Å
172	Y	76.9	Confident	76	Confident	187 Å²	187	90.4 Å²	90.4	73%	0.733	42%	0.419	S	S	*	.	H	α-helix	trans	-81.1	-26.7	178.4	-62.6	-66.3	0	0	0	112.7	P168 F169 L170	P168-Y172 HydrophobicContact CB-CE2 4.41Å; P168-Y172 WeakPolarHBondContact O-CD2 3.4Å; P168-Y172 VanDerWaalsContact O-CE2 3.31Å; P168-Y172 WeakPolarHBondContact O-CE2 3.36Å; P168-Y172 PolarHBondContact O-N 3.46Å; F169-Y172 PolarHBondContact O-N 3.02Å; F169-Y172 VanDerWaalsContact O-N 3.1Å; L170-Y172 VanDerWaalsContact C-N 3.26Å; L170-Y172 PolarHBondContact O-N 3.15Å
173	T	80.1	Confident	75.3	Confident	73 Å²	73	90.8 Å²	90.8	45%	0.448	42%	0.421	S	S	.	.	H	α-helix	trans	-85.6	-30.9	-176	55.8	0	0	0	0	114.4	F169 L170	F169-T173 HydrophobicContact CD1-CG2 4.11Å; F169-T173 HydrophobicContact CE1-CG2 3.72Å; F169-T173 HydrophobicContact CZ-CG2 4.12Å; F169-T173 PolarHBondContact O-N 3.02Å; L170-T173 WeakPolarHBondContact CA-OG1 3.45Å; L170-T173 PolarHBondContact O-N 3.27Å; L170-T173 PolarHBondContact O-OG1 3.46Å
174	L	74.9	Confident	75.1	Confident	74 Å²	74	93.8 Å²	93.8	39%	0.387	44%	0.444	S	S	.	.	S	Bend	trans	-103.7	134	-170.7	-65.2	171.6	0	0	0	111.6	P117 L170	P117-L174 HydrophobicContact CB-CB 4.16Å; P117-L174 HydrophobicContact CG-CD1 4.08Å; L170-L174 HydrophobicContact CD2-CD1 4.45Å; L170-L174 PolarHBondContact O-N 3.35Å; L170-L174 VanDerWaalsContact O-N 3.16Å
175	P	73.8	Confident	74.1	Confident	93 Å²	93	91.6 Å²	91.6	60%	0.604	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-65.6	154	171.4	30.1	-34.4	0	0	0	110.3	P117	P117-P175 WeakPolarHBondContact CB-O 3.39Å
176	R	76	Confident	73.1	Confident	170 Å²	170	93.2 Å²	93.2	64%	0.642	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-73.3	130	174.6	-52.7	-176	-145.8	176.6	7.1	109.2	T116 L120	T116-R176 HydrophobicContact CG2-CG 4.22Å; L120-R176 HydrophobicContact CD1-CB 3.59Å
177	F	70.1	Confident	73.2	Confident	65 Å²	65	91.3 Å²	91.3	29%	0.285	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-80.8	135	178.6	-71.7	-58.1	0	0	0	111.3	P117 F118 L120 F181 L182	P117-F177 HydrophobicContact CB-CD2 3.54Å; P117-F177 HydrophobicContact CB-CE2 3.67Å; P117-F177 HydrophobicContact CB-CG 4.49Å; P117-F177 HydrophobicContact CG-CD2 3.89Å; P117-F177 HydrophobicContact CG-CE2 3.74Å; P117-F177 PolarHBondContact O-N 3.3Å; P117-F177 VanDerWaalsContact O-N 3.1Å; F118-F177 HydrophobicContact CE1-CD2 4.48Å; L120-F177 WeakPolarHBondContact CD1-O 3.38Å; F177-F181 HydrophobicContact CB-CD1 3.97Å; F177-F181 AromaticContact CD1-CD1 3.56Å; F177-F181 HydrophobicContact CD1-CD1 3.56Å; F177-F181 AromaticContact CD1-CE1 3.63Å; F177-F181 HydrophobicContact CD1-CE1 3.63Å; F177-F181 HydrophobicContact CD2-CE1 4.46Å; F177-F181 HydrophobicContact CE1-CD1 4.18Å; F177-F181 AromaticContact CE1-CE1 3.77Å; F177-F181 HydrophobicContact CE1-CE1 3.77Å; F177-F181 AromaticContact CG-CD1 3.78Å; F177-F181 HydrophobicContact CG-CD1 3.78Å; F177-F181 HydrophobicContact CG-CE1 4.03Å; F177-F181 HydrophobicContact CZ-CE1 4.26Å; F177-L182 HydrophobicContact CB-CD1 4.42Å; F177-L182 HydrophobicContact CB-CD2 3.49Å; F177-L182 VanDerWaalsContact CB-CD2 3.49Å; F177-L182 HydrophobicContact CB-CG 3.88Å; F177-L182 HydrophobicContact CD2-CD2 4.08Å; F177-L182 HydrophobicContact CG-CD2 4.11Å
178	R	78	Confident	72.9	Confident	178 Å²	178	94.8 Å²	94.8	67%	0.672	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-60.3	142.2	173.5	-176.4	170.6	166.4	162.5	-4.3	110.3	D180 F181 L182	R178-D180 VanDerWaalsContact C-N 3.25Å; R178-D180 HydrophobicContact CG-CB 4.44Å; R178-D180 IonicContact CZ-OD2 3.14Å; R178-D180 IonicContact NE-OD2 3.06Å; R178-D180 PolarHBondContact NE-OD2 3.23Å; R178-D180 IonicContact NH2-OD2 2.81Å; R178-D180 PolarHBondContact NH2-OD2 3.32Å; R178-D180 PolarHBondContact O-N 3.2Å; R178-F181 WeakPolarHBondContact O-CB 3.45Å; R178-F181 PolarHBondContact O-N 3.33Å; R178-L182 PolarHBondContact O-N 3.05Å; R178-L182 VanDerWaalsContact O-N 3.16Å
179	Y	70.6	Confident	72.8	Confident	122 Å²	122	96.5 Å²	96.5	48%	0.478	45%	0.45	S	S	.	.	H	α-helix	trans	-52.6	-42.2	-178	-175.8	-105.8	0	0	0	112.9	P121 F181 L182 V183	P121-Y179 HydrophobicContact CG-CD2 3.82Å; P121-Y179 HydrophobicContact CG-CE2 3.91Å; Y179-F181 PolarHBondContact O-N 3.27Å; Y179-L182 WeakPolarHBondContact O-CA 3.29Å; Y179-L182 WeakPolarHBondContact O-CB 3.5Å; Y179-L182 PolarHBondContact O-N 3.5Å; Y179-V183 HydrophobicContact CD1-CG2 3.83Å; Y179-V183 HydrophobicContact CD2-CG2 4.34Å; Y179-V183 HydrophobicContact CE1-CG2 3.37Å; Y179-V183 HydrophobicContact CE2-CG2 3.93Å; Y179-V183 HydrophobicContact CG-CG2 4.31Å; Y179-V183 VanDerWaalsContact CZ-CG2 3.42Å; Y179-V183 WeakPolarHBondContact O-CG2 3.21Å; Y179-V183 PolarHBondContact O-N 3.32Å
180	D	75.4	Confident	72.4	Confident	93 Å²	93	94.1 Å²	94.1	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-56.2	-38.6	177.4	-56.5	-33	0	0	0	112.7	R178 S184	R178-D180 VanDerWaalsContact C-N 3.25Å; R178-D180 HydrophobicContact CG-CB 4.44Å; R178-D180 IonicContact CZ-OD2 3.14Å; R178-D180 IonicContact NE-OD2 3.06Å; R178-D180 PolarHBondContact NE-OD2 3.23Å; R178-D180 IonicContact NH2-OD2 2.81Å; R178-D180 PolarHBondContact NH2-OD2 3.32Å; R178-D180 PolarHBondContact O-N 3.2Å; D180-S184 PolarHBondContact O-N 3.25Å
181	F	72.8	Confident	72.5	Confident	86 Å²	86	97.1 Å²	97.1	38%	0.377	45%	0.454	S	S	.	.	H	α-helix	trans	-71.6	-37.6	176.1	-178.5	-100.2	0	0	0	111.6	F177 R178 Y179 S184 L185	F177-F181 HydrophobicContact CB-CD1 3.97Å; F177-F181 AromaticContact CD1-CD1 3.56Å; F177-F181 HydrophobicContact CD1-CD1 3.56Å; F177-F181 AromaticContact CD1-CE1 3.63Å; F177-F181 HydrophobicContact CD1-CE1 3.63Å; F177-F181 HydrophobicContact CD2-CE1 4.46Å; F177-F181 HydrophobicContact CE1-CD1 4.18Å; F177-F181 AromaticContact CE1-CE1 3.77Å; F177-F181 HydrophobicContact CE1-CE1 3.77Å; F177-F181 AromaticContact CG-CD1 3.78Å; F177-F181 HydrophobicContact CG-CD1 3.78Å; F177-F181 HydrophobicContact CG-CE1 4.03Å; F177-F181 HydrophobicContact CZ-CE1 4.26Å; R178-F181 WeakPolarHBondContact O-CB 3.45Å; R178-F181 PolarHBondContact O-N 3.33Å; Y179-F181 PolarHBondContact O-N 3.27Å; F181-S184 PolarHBondContact O-N 3.38Å; F181-S184 PolarHBondContact O-OG 3.46Å; F181-L185 PolarHBondContact O-N 3.1Å
182	L	65.7	Low	72.3	Confident	10 Å²	10	95.6 Å²	95.6	5%	0.052	45%	0.454	C	S	.	.	H	α-helix	trans	-67.5	-42.1	177.9	-64.4	-174.7	0	0	0	112.3	F118 F177 R178 Y179 S184 L185 M186	F118-L182 HydrophobicContact CB-CD1 4.42Å; F118-L182 HydrophobicContact CD1-CD1 4.11Å; F118-L182 HydrophobicContact CD1-CD2 3.25Å; F118-L182 HydrophobicContact CD1-CG 4.27Å; F118-L182 HydrophobicContact CE1-CD2 3.48Å; F118-L182 VanDerWaalsContact CE1-CD2 3.48Å; F118-L182 HydrophobicContact CG-CD2 4.43Å; F177-L182 HydrophobicContact CB-CD1 4.42Å; F177-L182 HydrophobicContact CB-CD2 3.49Å; F177-L182 VanDerWaalsContact CB-CD2 3.49Å; F177-L182 HydrophobicContact CB-CG 3.88Å; F177-L182 HydrophobicContact CD2-CD2 4.08Å; F177-L182 HydrophobicContact CG-CD2 4.11Å; R178-L182 PolarHBondContact O-N 3.05Å; R178-L182 VanDerWaalsContact O-N 3.16Å; Y179-L182 WeakPolarHBondContact O-CA 3.29Å; Y179-L182 WeakPolarHBondContact O-CB 3.5Å; Y179-L182 PolarHBondContact O-N 3.5Å; L182-S184 PolarHBondContact O-N 3.08Å; L182-L185 VanDerWaalsContact O-CB 3.28Å; L182-L185 WeakPolarHBondContact O-CB 3.46Å; L182-L185 PolarHBondContact O-N 3.19Å; L182-M186 WeakPolarHBondContact O-CG 3.4Å; L182-M186 PolarHBondContact O-N 2.95Å
183	V	70.7	Confident	71.9	Confident	66 Å²	66	89.1 Å²	89.1	40%	0.4	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-34.8	175.5	175.7	0	0	0	0	110.7	Y179 L185 M186	Y179-V183 HydrophobicContact CD1-CG2 3.83Å; Y179-V183 HydrophobicContact CD2-CG2 4.34Å; Y179-V183 HydrophobicContact CE1-CG2 3.37Å; Y179-V183 HydrophobicContact CE2-CG2 3.93Å; Y179-V183 HydrophobicContact CG-CG2 4.31Å; Y179-V183 VanDerWaalsContact CZ-CG2 3.42Å; Y179-V183 WeakPolarHBondContact O-CG2 3.21Å; Y179-V183 PolarHBondContact O-N 3.32Å; V183-L185 PolarHBondContact O-N 3.2Å; V183-M186 PolarHBondContact O-N 2.91Å
184	S	74.5	Confident	71.3	Confident	77 Å²	77	90.3 Å²	90.3	54%	0.538	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.3	174.7	78.2	0	0	0	0	114.5	D180 F181 L182	D180-S184 PolarHBondContact O-N 3.25Å; F181-S184 PolarHBondContact O-N 3.38Å; F181-S184 PolarHBondContact O-OG 3.46Å; L182-S184 PolarHBondContact O-N 3.08Å
185	L	62.8	Low	71	Confident	14 Å²	14	91.7 Å²	91.7	7%	0.073	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-19.9	178.3	-162.5	77.7	0	0	0	112.6	I72 Y75 F118 F181 L182 V183	I72-L185 HydrophobicContact CB-CD2 4.46Å; I72-L185 HydrophobicContact CD1-CD2 4.06Å; I72-L185 HydrophobicContact CG1-CD2 3.89Å; I72-L185 HydrophobicContact CG1-CG 4.06Å; I72-L185 HydrophobicContact CG2-CD2 3.98Å; Y75-L185 HydrophobicContact CD1-CD1 3.05Å; Y75-L185 HydrophobicContact CD1-CG 4.37Å; Y75-L185 HydrophobicContact CD2-CD1 4.02Å; Y75-L185 HydrophobicContact CE1-CD1 3.29Å; Y75-L185 HydrophobicContact CE2-CD1 4.24Å; Y75-L185 HydrophobicContact CG-CD1 3.41Å; Y75-L185 VanDerWaalsContact CG-CD1 3.41Å; Y75-L185 HydrophobicContact CG-CG 4.45Å; F118-L185 HydrophobicContact CE1-CD2 3.82Å; F118-L185 HydrophobicContact CZ-CD2 4.26Å; F181-L185 PolarHBondContact O-N 3.1Å; L182-L185 VanDerWaalsContact O-CB 3.28Å; L182-L185 WeakPolarHBondContact O-CB 3.46Å; L182-L185 PolarHBondContact O-N 3.19Å; V183-L185 PolarHBondContact O-N 3.2Å
186	M	61.9	Low	70.8	Confident	126 Å²	126	91.5 Å²	91.5	62%	0.621	42%	0.421	S	S	*	.			trans	-93.4	0	-177.4	-65.2	179.1	86.2	0	0	111	N71 L182 V183	N71-M186 WeakPolarHBondContact CB-O 3.46Å; N71-M186 PolarHBondContact ND2-O 3.26Å; L182-M186 WeakPolarHBondContact O-CG 3.4Å; L182-M186 PolarHBondContact O-N 2.95Å; V183-M186 PolarHBondContact O-N 2.91Å

Retrieved 186 of 186 residues in 36.1 ms (Link to these results)

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