A0A087YNM0_POEFO Loading...

Dicarboxylate carrier UCP2

Antiporter that exports dicarboxylate intermediates of the Krebs cycle in exchange for phosphate plus a proton across the inner membrane of mitochondria, a process driven by mitochondrial motive force with an overall impact on glycolysis, glutaminolysis and glutathione-dependent redox balance. Continuous export of oxaloacetate and related four-carbon dicarboxylates from mitochondrial matrix into the cytosol negatively regulates the oxidation of acetyl-CoA substrates via the Krebs cycle, lowering the ATP/ADP ratio and reactive oxygen species (ROS) production. May mediate inducible proton entry into the mitochondrial matrix affecting ATP turnover as a protection mechanism against oxidative stress. The proton currents are most likely associated with fatty acid flipping across the inner membrane of mitochondria in a metabolic process regulated by free fatty acids and purine nucleotides.

AlphaFold DB , UniProt , Accession A0A087YNM0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 312 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	37.7	Very low	243 Å²	243	131.1 Å²	131.1	100%	1.197	75%	0.752	S	S	*	*				0	101.2	0	-81.2	166.9	129.6	0	0	108.6
2	V	29.1	Very low	39.2	Very low	121 Å²	121	128.7 Å²	128.7	73%	0.733	74%	0.742	S	S	*	*			trans	-139.9	76.7	156.5	-170.7	0	0	0	0	105.4	F4	V2-F4 HydrophobicContact CG1-CD2 4Å; V2-F4 HydrophobicContact CG1-CE2 3.64Å; V2-F4 HydrophobicContact CG1-CZ 4.3Å; V2-F4 PolarHBondContact O-N 2.84Å
3	G	36.5	Very low	40.5	Very low	75 Å²	75	124.9 Å²	124.9	77%	0.773	74%	0.735	S	S	*	*			trans	-75	105.8	170.7	0	0	0	0	0	107.8	Q5	G3-Q5 PolarHBondContact O-N 2.8Å
4	F	32.1	Very low	41.6	Very low	167 Å²	167	120.4 Å²	120.4	73%	0.732	72%	0.719	S	S	*	*			trans	-74.8	115.7	163.5	-82.6	-81.2	0	0	0	107.6	V2	V2-F4 HydrophobicContact CG1-CD2 4Å; V2-F4 HydrophobicContact CG1-CE2 3.64Å; V2-F4 HydrophobicContact CG1-CZ 4.3Å; V2-F4 PolarHBondContact O-N 2.84Å
5	Q	31.1	Very low	42.9	Very low	172 Å²	172	116.5 Å²	116.5	80%	0.804	70%	0.696	S	S	*	*			trans	-54.1	141.7	174.5	-75.2	-179	-39.9	0	0	110.4	G3 V7	G3-Q5 PolarHBondContact O-N 2.8Å; Q5-V7 PolarHBondContact O-N 2.91Å; Q5-V7 VanDerWaalsContact O-N 3.1Å
6	P	34.7	Very low	43.7	Very low	114 Å²	114	116.1 Å²	116.1	74%	0.74	68%	0.683	S	S	*	*			trans	-68.8	108.7	172.3	28.6	-29.7	0	0	0	108.2
7	V	36	Very low	44.7	Very low	125 Å²	125	113.8 Å²	113.8	76%	0.758	66%	0.662	S	S	*	*			trans	-80.8	122.1	169.7	-178.6	0	0	0	0	108.6	Q5 V9	Q5-V7 PolarHBondContact O-N 2.91Å; Q5-V7 VanDerWaalsContact O-N 3.1Å; V7-V9 VanDerWaalsContact C-N 3.31Å; V7-V9 HydrophobicContact CG1-CG2 4.39Å; V7-V9 PolarHBondContact O-N 3.02Å
8	D	37.3	Very low	45.8	Very low	154 Å²	154	112.5 Å²	112.5	82%	0.824	66%	0.656	S	S	*	*			trans	-67.8	70.2	-179.5	-69.1	-55	0	0	0	113.3
9	V	44.2	Very low	46.5	Very low	110 Å²	110	107.1 Å²	107.1	67%	0.667	63%	0.626	S	S	*	*			trans	-121.2	104.6	160.1	-165.4	0	0	0	0	108.6	V7 P11	V7-V9 VanDerWaalsContact C-N 3.31Å; V7-V9 HydrophobicContact CG1-CG2 4.39Å; V7-V9 PolarHBondContact O-N 3.02Å; V9-P11 WeakPolarHBondContact O-CD 3.48Å
10	P	46.3	Very low	47	Very low	98 Å²	98	104.8 Å²	104.8	64%	0.636	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-61.4	124.3	178.5	23.8	-30.7	0	0	0	108.3	T12	P10-T12 PolarHBondContact O-N 2.84Å
11	P	51.6	Low	47.6	Very low	63 Å²	63	100.9 Å²	100.9	41%	0.409	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-58.5	134.8	177.4	4.1	-7.5	0	0	0	108.9	V9 A13 K16	V9-P11 WeakPolarHBondContact O-CD 3.48Å; P11-A13 PolarHBondContact O-N 3.01Å; P11-K16 HydrophobicContact CB-CG 3.95Å; P11-K16 HydrophobicContact CG-CD 4.29Å; P11-K16 HydrophobicContact CG-CG 3.95Å; P11-K16 WeakPolarHBondContact O-CD 3.44Å; P11-K16 WeakPolarHBondContact O-CE 3.27Å
12	T	56.1	Low	48.9	Very low	102 Å²	102	92.6 Å²	92.6	63%	0.626	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-48.8	139.3	179.8	-40.6	0	0	0	0	109.4	P10 A14 V15 K16	P10-T12 PolarHBondContact O-N 2.84Å; T12-A14 PolarHBondContact O-N 2.89Å; T12-V15 PolarHBondContact O-N 3.35Å; T12-K16 PolarHBondContact O-N 2.73Å; T12-K16 VanDerWaalsContact O-N 3.16Å
13	A	55.6	Low	50.3	Low	80 Å²	80	87.5 Å²	87.5	66%	0.661	54%	0.536	S	S	*	.	H	α-helix	trans	-50.3	-34.4	-175.8	0	0	0	0	0	112.8	P11 K16 F17	P11-A13 PolarHBondContact O-N 3.01Å; A13-K16 PolarHBondContact O-N 2.9Å; A13-F17 VanDerWaalsContact O-CB 3.3Å; A13-F17 WeakPolarHBondContact O-CB 3.22Å; A13-F17 PolarHBondContact O-N 3.42Å
14	A	55.4	Low	51.3	Low	61 Å²	61	85.2 Å²	85.2	50%	0.504	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-41.9	174.2	0	0	0	0	0	114	T12 F17 V18	T12-A14 PolarHBondContact O-N 2.89Å; A14-F17 PolarHBondContact O-N 2.98Å; A14-V18 WeakPolarHBondContact O-CB 3.36Å; A14-V18 WeakPolarHBondContact O-CG2 3.36Å; A14-V18 PolarHBondContact O-N 3.42Å
15	V	60.9	Low	52.8	Low	62 Å²	62	79.5 Å²	79.5	38%	0.376	49%	0.49	S	S	.	.	H	α-helix	trans	-70.8	-40.5	178.9	178	0	0	0	0	110.7	T12 F17 G19 L301	T12-V15 PolarHBondContact O-N 3.35Å; V15-F17 VanDerWaalsContact C-N 3.28Å; V15-F17 PolarHBondContact O-N 3.14Å; V15-G19 PolarHBondContact O-N 3.34Å; V15-L301 HydrophobicContact CG1-CD1 4.03Å; V15-L301 HydrophobicContact CG1-CD2 3.91Å
16	K	56.9	Low	54.5	Low	111 Å²	111	75.6 Å²	75.6	48%	0.483	47%	0.474	S	S	.	.	H	α-helix	trans	-61.4	-39.5	172.2	-69.3	-179.7	178.6	170.1	0	111.2	P11 T12 A13 A20	P11-K16 HydrophobicContact CB-CG 3.95Å; P11-K16 HydrophobicContact CG-CD 4.29Å; P11-K16 HydrophobicContact CG-CG 3.95Å; P11-K16 WeakPolarHBondContact O-CD 3.44Å; P11-K16 WeakPolarHBondContact O-CE 3.27Å; T12-K16 PolarHBondContact O-N 2.73Å; T12-K16 VanDerWaalsContact O-N 3.16Å; A13-K16 PolarHBondContact O-N 2.9Å; K16-A20 WeakPolarHBondContact O-CB 3.26Å; K16-A20 PolarHBondContact O-N 3.36Å
17	F	60.7	Low	55.6	Low	76 Å²	76	70.2 Å²	70.2	33%	0.333	44%	0.439	S	S	.	.	H	α-helix	trans	-70.4	-51.8	-179.7	178.9	-121.1	0	0	0	113.2	A13 A14 V15 G19 A20 G21 A95 I99	A13-F17 VanDerWaalsContact O-CB 3.3Å; A13-F17 WeakPolarHBondContact O-CB 3.22Å; A13-F17 PolarHBondContact O-N 3.42Å; A14-F17 PolarHBondContact O-N 2.98Å; V15-F17 VanDerWaalsContact C-N 3.28Å; V15-F17 PolarHBondContact O-N 3.14Å; F17-G19 VanDerWaalsContact C-N 3.28Å; F17-G19 PolarHBondContact O-N 2.96Å; F17-A20 PolarHBondContact O-N 2.94Å; F17-G21 PolarHBondContact O-N 3.23Å; F17-A95 HydrophobicContact CE2-CB 3.92Å; F17-A95 HydrophobicContact CZ-CB 4.29Å; F17-I99 HydrophobicContact CB-CD1 3.66Å; F17-I99 HydrophobicContact CD1-CD1 3.82Å; F17-I99 HydrophobicContact CD2-CD1 2.91Å; F17-I99 HydrophobicContact CD2-CG1 3.49Å; F17-I99 VanDerWaalsContact CD2-CG1 3.49Å; F17-I99 HydrophobicContact CE1-CD1 4.11Å; F17-I99 HydrophobicContact CE2-CB 4.29Å; F17-I99 HydrophobicContact CE2-CD1 3.23Å; F17-I99 HydrophobicContact CE2-CG1 3.34Å; F17-I99 HydrophobicContact CG-CD1 3.18Å; F17-I99 HydrophobicContact CG-CG1 4.23Å; F17-I99 HydrophobicContact CZ-CD1 3.82Å; F17-I99 HydrophobicContact CZ-CG1 4.04Å
18	V	64	Low	57	Low	91 Å²	91	64.7 Å²	64.7	55%	0.552	41%	0.405	S	S	*	.	H	α-helix	trans	-64.4	-39.7	179.7	174.6	0	0	0	0	109.9	A14 T22	A14-V18 WeakPolarHBondContact O-CB 3.36Å; A14-V18 WeakPolarHBondContact O-CG2 3.36Å; A14-V18 PolarHBondContact O-N 3.42Å; V18-T22 HydrophobicContact CG1-CG2 4.45Å; V18-T22 WeakPolarHBondContact O-CB 3.16Å; V18-T22 WeakPolarHBondContact O-CG2 3.5Å; V18-T22 PolarHBondContact O-N 3.45Å; V18-T22 PolarHBondContact O-OG1 2.63Å
19	G	59.8	Low	58.5	Low	9 Å²	9	60.8 Å²	60.8	9%	0.093	38%	0.384	C	S	.	.	H	α-helix	trans	-65.5	-45.6	175.4	0	0	0	0	0	113.4	V15 F17 T22 A23	V15-G19 PolarHBondContact O-N 3.34Å; F17-G19 VanDerWaalsContact C-N 3.28Å; F17-G19 PolarHBondContact O-N 2.96Å; G19-T22 PolarHBondContact O-OG1 3.36Å; G19-A23 WeakPolarHBondContact O-CB 3.34Å; G19-A23 PolarHBondContact O-N 3.27Å
20	A	55.8	Low	59.5	Low	61 Å²	61	60.7 Å²	60.7	50%	0.504	38%	0.379	S	S	.	.	H	α-helix	trans	-68.5	-39	176.8	0	0	0	0	0	112.2	K16 F17 A24	K16-A20 WeakPolarHBondContact O-CB 3.26Å; K16-A20 PolarHBondContact O-N 3.36Å; F17-A20 PolarHBondContact O-N 2.94Å; A20-A24 WeakPolarHBondContact O-CB 3.45Å; A20-A24 PolarHBondContact O-N 3.46Å
21	G	60.5	Low	60.3	Low	23 Å²	23	56.2 Å²	56.2	24%	0.237	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-46.1	179.4	0	0	0	0	0	112.5	F17 A24 C25	F17-G21 PolarHBondContact O-N 3.23Å; G21-A24 PolarHBondContact O-N 2.87Å; G21-C25 PolarHBondContact O-N 2.87Å; G21-C25 PolarHBondContact O-SG 3Å
22	T	62.7	Low	61	Low	69 Å²	69	53.3 Å²	53.3	42%	0.423	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-43.5	176	50.2	0	0	0	0	111.8	V18 G19 A24 C25 I26	V18-T22 HydrophobicContact CG1-CG2 4.45Å; V18-T22 WeakPolarHBondContact O-CB 3.16Å; V18-T22 WeakPolarHBondContact O-CG2 3.5Å; V18-T22 PolarHBondContact O-N 3.45Å; V18-T22 PolarHBondContact O-OG1 2.63Å; G19-T22 PolarHBondContact O-OG1 3.36Å; T22-A24 VanDerWaalsContact C-N 3.31Å; T22-A24 PolarHBondContact O-N 2.97Å; T22-C25 PolarHBondContact O-N 2.77Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.38Å; T22-I26 PolarHBondContact O-N 2.91Å
23	A	57.5	Low	61.3	Low	15 Å²	15	49.7 Å²	49.7	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-41.7	174	0	0	0	0	0	112.1	G19 I26 A27 T293	G19-A23 WeakPolarHBondContact O-CB 3.34Å; G19-A23 PolarHBondContact O-N 3.27Å; A23-I26 PolarHBondContact O-N 2.86Å; A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.12Å; A23-A27 PolarHBondContact O-N 2.94Å; A23-T293 HydrophobicContact CB-CG2 3.51Å
24	A	59.3	Low	61.7	Low	27 Å²	27	47.6 Å²	47.6	22%	0.223	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-34.5	179.4	0	0	0	0	0	112.4	A20 G21 T22 D28 Q91	A20-A24 WeakPolarHBondContact O-CB 3.45Å; A20-A24 PolarHBondContact O-N 3.46Å; G21-A24 PolarHBondContact O-N 2.87Å; T22-A24 VanDerWaalsContact C-N 3.31Å; T22-A24 PolarHBondContact O-N 2.97Å; A24-D28 WeakPolarHBondContact O-CB 3.16Å; A24-D28 PolarHBondContact O-N 3.25Å; A24-Q91 HydrophobicContact CB-CG 4.26Å; A24-Q91 VanDerWaalsContact CB-NE2 3.34Å; A24-Q91 PolarHBondContact O-NE2 3.39Å; A24-Q91 VanDerWaalsContact O-NE2 3.14Å
25	C	63.5	Low	62.2	Low	47 Å²	47	45.5 Å²	45.5	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-68.5	-40.5	173.2	-71.1	0	0	0	0	112.2	G21 T22 L29 L88	G21-C25 PolarHBondContact O-N 2.87Å; G21-C25 PolarHBondContact O-SG 3Å; T22-C25 PolarHBondContact O-N 2.77Å; C25-L29 WeakPolarHBondContact O-CB 3.3Å; C25-L29 PolarHBondContact O-N 2.88Å; C25-L88 HydrophobicContact CB-CD2 4.11Å
26	I	66.1	Low	62.3	Low	89 Å²	89	42.8 Å²	42.8	46%	0.456	25%	0.251	S	S	.	.	H	α-helix	trans	-68	-42.8	176.8	-66.4	166.2	0	0	0	110.5	T22 A23 L29 L30	T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.38Å; T22-I26 PolarHBondContact O-N 2.91Å; A23-I26 PolarHBondContact O-N 2.86Å; I26-L29 WeakPolarHBondContact O-CB 3.13Å; I26-L29 PolarHBondContact O-N 3.38Å; I26-L30 HydrophobicContact CG2-CD1 4.2Å; I26-L30 WeakPolarHBondContact O-CG 3.32Å; I26-L30 PolarHBondContact O-N 3.17Å; I26-L30 VanDerWaalsContact O-N 3.1Å
27	A	58.2	Low	62.5	Low	2 Å²	2	37.6 Å²	37.6	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-47.6	175.9	0	0	0	0	0	111.3	A23 L29 L30 T31 V289	A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.12Å; A23-A27 PolarHBondContact O-N 2.94Å; A27-L29 VanDerWaalsContact C-N 3.3Å; A27-L29 PolarHBondContact O-N 3.15Å; A27-L30 PolarHBondContact O-N 3.31Å; A27-T31 PolarHBondContact O-N 2.72Å; A27-T31 PolarHBondContact O-OG1 3.03Å; A27-V289 HydrophobicContact CB-CG1 3.76Å
28	D	65.3	Low	62.7	Low	8 Å²	8	34.8 Å²	34.8	4%	0.043	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-35.3	177	-82.8	20.8	0	0	0	111.9	A24 L30 F32 R90 Q91	A24-D28 WeakPolarHBondContact O-CB 3.16Å; A24-D28 PolarHBondContact O-N 3.25Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 3.21Å; D28-F32 WeakPolarHBondContact O-CA 3.34Å; D28-F32 VanDerWaalsContact O-CB 3.24Å; D28-F32 WeakPolarHBondContact O-CB 3.29Å; D28-F32 PolarHBondContact O-N 3.4Å; D28-R90 IonicContact OD2-NH2 2.72Å; D28-R90 PolarHBondContact OD2-NH2 3.4Å; D28-Q91 PolarHBondContact OD1-NE2 2.99Å; D28-Q91 VanDerWaalsContact OD1-NE2 3.13Å; D28-Q91 VanDerWaalsContact OD2-CD 3.27Å; D28-Q91 PolarHBondContact OD2-NE2 3.29Å; D28-Q91 PolarHBondContact OD2-OE1 3.46Å
29	L	68	Low	62.6	Low	73 Å²	73	32 Å²	32	38%	0.382	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-40.3	175.8	-163.3	97.4	0	0	0	111.8	C25 I26 A27 L84	C25-L29 WeakPolarHBondContact O-CB 3.3Å; C25-L29 PolarHBondContact O-N 2.88Å; I26-L29 WeakPolarHBondContact O-CB 3.13Å; I26-L29 PolarHBondContact O-N 3.38Å; A27-L29 VanDerWaalsContact C-N 3.3Å; A27-L29 PolarHBondContact O-N 3.15Å; L29-L84 HydrophobicContact CD1-CD1 4.1Å; L29-L84 HydrophobicContact CD1-CD2 3.81Å
30	L	65.8	Low	62.7	Low	108 Å²	108	32.8 Å²	32.8	57%	0.565	20%	0.199	S	C	*	.	H	α-helix	trans	-79.3	-34.3	-178.2	-68.9	173.5	0	0	0	112.8	I26 A27 D28 P33 V289	I26-L30 HydrophobicContact CG2-CD1 4.2Å; I26-L30 WeakPolarHBondContact O-CG 3.32Å; I26-L30 PolarHBondContact O-N 3.17Å; I26-L30 VanDerWaalsContact O-N 3.1Å; A27-L30 PolarHBondContact O-N 3.31Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 3.21Å; L30-P33 WeakPolarHBondContact O-CD 3.4Å; L30-V289 HydrophobicContact CD1-CG1 4.24Å
31	T	62.5	Low	63	Low	4 Å²	4	31.4 Å²	31.4	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-88.8	-7.9	178.4	56.8	0	0	0	0	113.3	A27 P33 L34 D35 W286	A27-T31 PolarHBondContact O-N 2.72Å; A27-T31 PolarHBondContact O-OG1 3.03Å; T31-P33 VanDerWaalsContact C-CD 3.47Å; T31-L34 WeakPolarHBondContact O-CA 3.5Å; T31-L34 WeakPolarHBondContact O-CB 3.36Å; T31-L34 PolarHBondContact O-N 3.29Å; T31-D35 PolarHBondContact O-N 3.39Å; T31-W286 HydrophobicContact CG2-CB 4.47Å
32	F	66.9	Low	62.7	Low	1 Å²	1	31.8 Å²	31.8	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-52.4	-44.3	-179.9	-140	-94.9	0	0	0	114.4	D28 L34 D35 T36 L80 G83 L84	D28-F32 WeakPolarHBondContact O-CA 3.34Å; D28-F32 VanDerWaalsContact O-CB 3.24Å; D28-F32 WeakPolarHBondContact O-CB 3.29Å; D28-F32 PolarHBondContact O-N 3.4Å; F32-L34 VanDerWaalsContact C-N 3.26Å; F32-L34 PolarHBondContact O-N 3.23Å; F32-D35 PolarHBondContact O-N 3.5Å; F32-T36 PolarHBondContact O-N 3.42Å; F32-T36 PolarHBondContact O-OG1 3.05Å; F32-L80 WeakPolarHBondContact CD1-O 3.46Å; F32-G83 VanDerWaalsContact CZ-C 3.4Å; F32-G83 WeakPolarHBondContact CZ-O 3.48Å; F32-L84 HydrophobicContact CD1-CD1 4.47Å; F32-L84 HydrophobicContact CD2-CD1 3.69Å; F32-L84 HydrophobicContact CE1-CB 4.27Å; F32-L84 HydrophobicContact CE2-CD1 4Å; F32-L84 HydrophobicContact CG-CD1 3.97Å; F32-L84 HydrophobicContact CZ-CB 4.29Å
33	P	62.3	Low	62.4	Low	26 Å²	26	29.8 Å²	29.8	17%	0.169	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-35.9	176.6	-26.2	37.1	0	0	0	113.2	L30 T31 A37 L80	L30-P33 WeakPolarHBondContact O-CD 3.4Å; T31-P33 VanDerWaalsContact C-CD 3.47Å; P33-A37 WeakPolarHBondContact O-CB 3.41Å; P33-A37 PolarHBondContact O-N 3.35Å; P33-L80 HydrophobicContact CB-CD2 4.19Å
34	L	64.3	Low	62	Low	37 Å²	37	30.6 Å²	30.6	19%	0.194	17%	0.168	C	C	.	.	H	α-helix	trans	-73.7	-40	177.8	-73	164	0	0	0	111.8	T31 F32 T36 A37 K38 V64 I68	T31-L34 WeakPolarHBondContact O-CA 3.5Å; T31-L34 WeakPolarHBondContact O-CB 3.36Å; T31-L34 PolarHBondContact O-N 3.29Å; F32-L34 VanDerWaalsContact C-N 3.26Å; F32-L34 PolarHBondContact O-N 3.23Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-A37 PolarHBondContact O-N 3.07Å; L34-K38 WeakPolarHBondContact O-CB 3.48Å; L34-K38 PolarHBondContact O-N 2.97Å; L34-V64 HydrophobicContact CD2-CG1 3.64Å; L34-I68 HydrophobicContact CD2-CD1 4.42Å
35	D	64.6	Low	61.5	Low	16 Å²	16	30.1 Å²	30.1	9%	0.086	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-47.6	174.2	-91.6	3.4	0	0	0	110.6	T31 F32 K38 V39 R282	T31-D35 PolarHBondContact O-N 3.39Å; F32-D35 PolarHBondContact O-N 3.5Å; D35-K38 PolarHBondContact O-N 3.47Å; D35-V39 WeakPolarHBondContact O-CG2 3.45Å; D35-V39 PolarHBondContact O-N 2.75Å; D35-R282 WeakPolarHBondContact OD1-CD 3.49Å; D35-R282 WeakPolarHBondContact OD1-CG 3.49Å; D35-R282 IonicContact OD1-CZ 2.78Å; D35-R282 IonicContact OD1-NE 2.97Å; D35-R282 IonicContact OD1-NH1 3.18Å; D35-R282 PolarHBondContact OD1-NH1 3.37Å; D35-R282 IonicContact OD2-NH1 2.69Å
36	T	63.7	Low	60.7	Low	5 Å²	5	30 Å²	30	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-46.3	176.9	-54.9	0	0	0	0	110.9	F32 L34 K38 V39 R40 M71 L80	F32-T36 PolarHBondContact O-N 3.42Å; F32-T36 PolarHBondContact O-OG1 3.05Å; L34-T36 VanDerWaalsContact C-N 3.34Å; T36-K38 VanDerWaalsContact C-N 3.34Å; T36-K38 PolarHBondContact O-N 2.58Å; T36-V39 PolarHBondContact O-N 3.17Å; T36-R40 WeakPolarHBondContact O-CB 3.25Å; T36-R40 WeakPolarHBondContact O-CG 3.21Å; T36-R40 PolarHBondContact O-N 2.89Å; T36-R40 VanDerWaalsContact O-N 3.08Å; T36-M71 HydrophobicContact CG2-CE 3.69Å; T36-M71 HydrophobicContact CG2-SD 4Å; T36-L80 PolarHBondContact OG1-O 3Å
37	A	62	Low	59.6	Low	2 Å²	2	26.1 Å²	26.1	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-38	177.3	0	0	0	0	0	113.2	P33 L34 L41 V64 I68	P33-A37 WeakPolarHBondContact O-CB 3.41Å; P33-A37 PolarHBondContact O-N 3.35Å; L34-A37 PolarHBondContact O-N 3.07Å; A37-L41 PolarHBondContact O-N 3.49Å; A37-V64 HydrophobicContact CB-CG1 4.08Å; A37-I68 HydrophobicContact CB-CD1 4.15Å; A37-I68 HydrophobicContact CB-CG1 3.77Å
38	K	64.1	Low	58.6	Low	18 Å²	18	29 Å²	29	8%	0.078	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-51.3	177	173.2	179	166.6	172.5	0	111.6	L34 D35 T36 R40 L41 Q42 P278 S279	L34-K38 WeakPolarHBondContact O-CB 3.48Å; L34-K38 PolarHBondContact O-N 2.97Å; D35-K38 PolarHBondContact O-N 3.47Å; T36-K38 VanDerWaalsContact C-N 3.34Å; T36-K38 PolarHBondContact O-N 2.58Å; K38-R40 PolarHBondContact O-N 3.38Å; K38-L41 PolarHBondContact O-N 3.03Å; K38-Q42 VanDerWaalsContact CE-NE2 3.3Å; K38-Q42 HydrophobicContact CG-CG 4.45Å; K38-Q42 WeakPolarHBondContact O-CG 3.08Å; K38-Q42 PolarHBondContact O-N 2.96Å; K38-P278 HydrophobicContact CB-CB 4.1Å; K38-P278 HydrophobicContact CG-CB 4.08Å; K38-S279 WeakPolarHBondContact CE-OG 2.85Å; K38-S279 PolarHBondContact NZ-OG 2.66Å
39	V	61.9	Low	57.3	Low	32 Å²	32	32.6 Å²	32.6	19%	0.194	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-38.9	-179.4	174.6	0	0	0	0	110	D35 T36 Q42 V43 Q147	D35-V39 WeakPolarHBondContact O-CG2 3.45Å; D35-V39 PolarHBondContact O-N 2.75Å; T36-V39 PolarHBondContact O-N 3.17Å; V39-Q42 PolarHBondContact O-N 3.38Å; V39-V43 HydrophobicContact CG1-CG2 4.45Å; V39-V43 WeakPolarHBondContact O-CB 3.48Å; V39-V43 VanDerWaalsContact O-CG2 3.24Å; V39-V43 WeakPolarHBondContact O-CG2 3.39Å; V39-V43 PolarHBondContact O-N 2.9Å; V39-Q147 HydrophobicContact CG1-CB 4.46Å
40	R	61.5	Low	55.8	Low	26 Å²	26	32.8 Å²	32.8	10%	0.098	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-46.9	176.1	-68.3	-67.1	-167.2	-170.3	9.3	113.7	T36 K38 Q42 V43 Q44 Q147 A148	T36-R40 WeakPolarHBondContact O-CB 3.25Å; T36-R40 WeakPolarHBondContact O-CG 3.21Å; T36-R40 PolarHBondContact O-N 2.89Å; T36-R40 VanDerWaalsContact O-N 3.08Å; K38-R40 PolarHBondContact O-N 3.38Å; R40-Q42 VanDerWaalsContact C-N 3.3Å; R40-Q42 PolarHBondContact O-N 3.12Å; R40-V43 PolarHBondContact O-N 3.35Å; R40-Q44 WeakPolarHBondContact O-CB 3.36Å; R40-Q44 PolarHBondContact O-N 3.43Å; R40-Q147 PolarHBondContact NH1-O 2.87Å; R40-Q147 VanDerWaalsContact NH1-O 3.12Å; R40-Q147 PolarHBondContact NH2-O 2.83Å; R40-A148 PolarHBondContact NH1-O 3.49Å
41	L	61.6	Low	54.4	Low	31 Å²	31	31.8 Å²	31.8	16%	0.162	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-37.2	176.6	-80.6	165.4	0	0	0	112.1	A37 K38 Q44 V64 T67 P278	A37-L41 PolarHBondContact O-N 3.49Å; K38-L41 PolarHBondContact O-N 3.03Å; L41-Q44 PolarHBondContact O-N 3.5Å; L41-V64 HydrophobicContact CD1-CG2 4Å; L41-T67 HydrophobicContact CD1-CG2 4.31Å; L41-T67 HydrophobicContact CD2-CG2 3.88Å; L41-T67 HydrophobicContact CG-CG2 3.7Å; L41-P278 HydrophobicContact CD1-CG 3.85Å
42	Q	54.8	Low	53.3	Low	31 Å²	31	35.9 Å²	35.9	15%	0.145	21%	0.214	C	C	.	.	H	α-helix	trans	-67.6	-39.3	177.2	-73.3	-178.4	-30.5	0	0	111.9	K38 V39 R40	K38-Q42 VanDerWaalsContact CE-NE2 3.3Å; K38-Q42 HydrophobicContact CG-CG 4.45Å; K38-Q42 WeakPolarHBondContact O-CG 3.08Å; K38-Q42 PolarHBondContact O-N 2.96Å; V39-Q42 PolarHBondContact O-N 3.38Å; R40-Q42 VanDerWaalsContact C-N 3.3Å; R40-Q42 PolarHBondContact O-N 3.12Å
43	V	56.4	Low	52.1	Low	27 Å²	27	42.1 Å²	42.1	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-74	-26.4	177	173.5	0	0	0	0	112.3	V39 R40 G45 E46	V39-V43 HydrophobicContact CG1-CG2 4.45Å; V39-V43 WeakPolarHBondContact O-CB 3.48Å; V39-V43 VanDerWaalsContact O-CG2 3.24Å; V39-V43 WeakPolarHBondContact O-CG2 3.39Å; V39-V43 PolarHBondContact O-N 2.9Å; R40-V43 PolarHBondContact O-N 3.35Å; V43-G45 PolarHBondContact O-N 3.32Å; V43-E46 WeakPolarHBondContact O-CB 3.32Å; V43-E46 PolarHBondContact O-N 2.93Å; V43-E46 VanDerWaalsContact O-N 3.11Å
44	Q	49.6	Very low	50.9	Low	32 Å²	32	44.1 Å²	44.1	15%	0.15	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-26.5	179.7	-164.3	-169	-8.1	0	0	113.5	R40 L41 E46 A47 V59 Y61	R40-Q44 WeakPolarHBondContact O-CB 3.36Å; R40-Q44 PolarHBondContact O-N 3.43Å; L41-Q44 PolarHBondContact O-N 3.5Å; Q44-E46 PolarHBondContact O-N 3.12Å; Q44-E46 VanDerWaalsContact O-N 3.13Å; Q44-A47 WeakPolarHBondContact O-CB 3.42Å; Q44-A47 PolarHBondContact O-N 2.96Å; Q44-V59 PolarHBondContact NE2-O 2.97Å; Q44-V59 VanDerWaalsContact NE2-O 3.16Å; Q44-Y61 HydrophobicContact CG-CD2 4.21Å; Q44-Y61 VanDerWaalsContact OE1-CB 3.3Å; Q44-Y61 PolarHBondContact OE1-O 2.89Å
45	G	47.8	Very low	49.7	Very low	17 Å²	17	52.8 Å²	52.8	18%	0.175	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-21.3	173.4	0	0	0	0	0	113.9	V43 S48	V43-G45 PolarHBondContact O-N 3.32Å; G45-S48 PolarHBondContact O-OG 3.03Å
46	E	47.9	Very low	48.4	Very low	45 Å²	45	57.8 Å²	57.8	21%	0.21	33%	0.332	C	S	.	.	H	α-helix	trans	-88.6	-20.4	176.1	-61.4	175.5	171.1	0	0	112.3	V43 Q44 I49 S50 R244 N247	V43-E46 WeakPolarHBondContact O-CB 3.32Å; V43-E46 PolarHBondContact O-N 2.93Å; V43-E46 VanDerWaalsContact O-N 3.11Å; Q44-E46 PolarHBondContact O-N 3.12Å; Q44-E46 VanDerWaalsContact O-N 3.13Å; E46-I49 WeakPolarHBondContact O-CB 3.49Å; E46-I49 PolarHBondContact O-N 3.18Å; E46-I49 VanDerWaalsContact O-N 3.16Å; E46-S50 PolarHBondContact O-N 3.42Å; E46-R244 WeakPolarHBondContact OE1-CD 3.19Å; E46-N247 PolarHBondContact OE2-ND2 3.49Å
47	A	41.5	Very low	47.1	Very low	8 Å²	8	63.1 Å²	63.1	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-70.5	-33.3	175.8	0	0	0	0	0	112.6	Q44 I49 S50 E51 A58	Q44-A47 WeakPolarHBondContact O-CB 3.42Å; Q44-A47 PolarHBondContact O-N 2.96Å; A47-I49 PolarHBondContact O-N 3.31Å; A47-S50 CarbonylContact O-C 3.56Å; A47-S50 PolarHBondContact O-N 3.32Å; A47-S50 VanDerWaalsContact O-N 3.12Å; A47-E51 PolarHBondContact O-N 2.97Å; A47-A58 HydrophobicContact CB-CB 4.38Å
48	S	37.5	Very low	46.2	Very low	61 Å²	61	64.4 Å²	64.4	43%	0.427	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-22.2	171	36.7	0	0	0	0	112.8	G45	G45-S48 PolarHBondContact O-OG 3.03Å
49	I	38.8	Very low	45.4	Very low	85 Å²	85	67.6 Å²	67.6	44%	0.436	40%	0.399	S	S	.	.	H	α-helix	trans	-79.9	-32.6	173.3	-55.6	176.9	0	0	0	110.5	E46 A47	E46-I49 WeakPolarHBondContact O-CB 3.49Å; E46-I49 PolarHBondContact O-N 3.18Å; E46-I49 VanDerWaalsContact O-N 3.16Å; A47-I49 PolarHBondContact O-N 3.31Å
50	S	36.3	Very low	44.7	Very low	76 Å²	76	74 Å²	74	53%	0.531	42%	0.424	S	S	.	.	H	α-helix	trans	-74.2	-24.9	169.6	-82.1	0	0	0	0	113.9	E46 A47 A52 I53	E46-S50 PolarHBondContact O-N 3.42Å; A47-S50 CarbonylContact O-C 3.56Å; A47-S50 PolarHBondContact O-N 3.32Å; A47-S50 VanDerWaalsContact O-N 3.12Å; S50-A52 PolarHBondContact O-N 3.48Å; S50-I53 PolarHBondContact O-N 3.36Å
51	E	36.9	Very low	44.1	Very low	87 Å²	87	74.9 Å²	74.9	41%	0.407	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-30.2	171.3	-93.4	-176.8	150.5	0	0	112.4	A47 I53 G54 A58	A47-E51 PolarHBondContact O-N 2.97Å; E51-I53 PolarHBondContact O-N 3.18Å; E51-I53 VanDerWaalsContact O-N 3.12Å; E51-G54 PolarHBondContact O-N 2.91Å; E51-A58 HydrophobicContact CG-CB 4.08Å
52	A	38.9	Very low	43.6	Very low	90 Å²	90	83.9 Å²	83.9	74%	0.744	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.1	172.1	0	0	0	0	0	113.1	S50	S50-A52 PolarHBondContact O-N 3.48Å
53	I	41.1	Very low	43.8	Very low	132 Å²	132	84.5 Å²	84.5	68%	0.677	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	11.4	-179.1	-48.9	177.6	0	0	0	111.3	S50 E51 R55	S50-I53 PolarHBondContact O-N 3.36Å; E51-I53 PolarHBondContact O-N 3.18Å; E51-I53 VanDerWaalsContact O-N 3.12Å; I53-R55 VanDerWaalsContact C-N 3.35Å; I53-R55 PolarHBondContact O-N 2.89Å
54	G	36.6	Very low	43.9	Very low	69 Å²	69	83.9 Å²	83.9	71%	0.711	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	19.4	160.9	0	0	0	0	0	117	E51	E51-G54 PolarHBondContact O-N 2.91Å
55	R	40	Very low	44.5	Very low	218 Å²	218	89.6 Å²	89.6	82%	0.823	49%	0.494	S	S	*	.			trans	-119.6	102.9	176.4	-71.4	-175.7	177.9	161.5	0.1	111.3	I53	I53-R55 VanDerWaalsContact C-N 3.35Å; I53-R55 PolarHBondContact O-N 2.89Å
56	V	38	Very low	45.1	Very low	121 Å²	121	90 Å²	90	73%	0.733	50%	0.499	S	S	*	.	S	Bend	trans	88.2	128.5	167	-164.8	0	0	0	0	115.5	A58	V56-A58 PolarHBondContact O-N 3.17Å; V56-A58 VanDerWaalsContact O-N 3.14Å
57	P	35.5	Very low	45.9	Very low	117 Å²	117	88.1 Å²	88.1	76%	0.76	49%	0.49	S	S	*	.			trans	-64.2	114.2	175.2	25.9	-32.4	0	0	0	109.8	V59	P57-V59 PolarHBondContact O-N 2.97Å
58	A	43.2	Very low	46.9	Very low	29 Å²	29	89.3 Å²	89.3	24%	0.24	50%	0.495	C	S	.	.			trans	-75.2	122.1	-179.7	0	0	0	0	0	109.5	A47 E51 V56 K60	A47-A58 HydrophobicContact CB-CB 4.38Å; E51-A58 HydrophobicContact CG-CB 4.08Å; V56-A58 PolarHBondContact O-N 3.17Å; V56-A58 VanDerWaalsContact O-N 3.14Å; A58-K60 PolarHBondContact O-N 3.43Å
59	V	47.7	Very low	48.3	Very low	86 Å²	86	90.8 Å²	90.8	52%	0.521	50%	0.502	S	S	.	.			trans	-55.1	110.6	171.5	178.2	0	0	0	0	108.6	Q44 P57 Y61 T70	Q44-V59 PolarHBondContact NE2-O 2.97Å; Q44-V59 VanDerWaalsContact NE2-O 3.16Å; P57-V59 PolarHBondContact O-N 2.97Å; V59-Y61 HydrophobicContact CG1-CD1 4.2Å; V59-Y61 HydrophobicContact CG1-CE1 3.98Å; V59-Y61 PolarHBondContact O-N 3.34Å; V59-T70 HydrophobicContact CG1-CG2 4.14Å
60	K	46.1	Very low	49.6	Very low	166 Å²	166	88.9 Å²	88.9	72%	0.722	49%	0.494	S	S	*	.			trans	-74.7	89.3	175.9	-103	178.1	179.4	167.4	0	109	A58 R62	A58-K60 PolarHBondContact O-N 3.43Å; K60-R62 PolarHBondContact O-N 3.45Å
61	Y	50.6	Low	50.9	Low	45 Å²	45	85.7 Å²	85.7	18%	0.176	47%	0.471	C	S	.	.			trans	-64.5	122.3	166	-51.2	-78.3	0	0	0	110.4	Q44 V59 T67 T70	Q44-Y61 HydrophobicContact CG-CD2 4.21Å; Q44-Y61 VanDerWaalsContact OE1-CB 3.3Å; Q44-Y61 PolarHBondContact OE1-O 2.89Å; V59-Y61 HydrophobicContact CG1-CD1 4.2Å; V59-Y61 HydrophobicContact CG1-CE1 3.98Å; V59-Y61 PolarHBondContact O-N 3.34Å; Y61-T67 HydrophobicContact CD1-CG2 3.65Å; Y61-T67 HydrophobicContact CD2-CG2 4.12Å; Y61-T67 HydrophobicContact CE1-CG2 4.43Å; Y61-T67 HydrophobicContact CG-CG2 3.45Å; Y61-T67 VanDerWaalsContact CG-CG2 3.45Å; Y61-T70 HydrophobicContact CD1-CG2 4.25Å; Y61-T70 HydrophobicContact CE1-CG2 3.72Å
62	R	49.7	Very low	52.4	Low	220 Å²	220	84.3 Å²	84.3	83%	0.83	47%	0.468	S	S	*	.			trans	-105.8	105.3	174	-83.5	-176	156.3	-177.3	-5.1	108.9	K60	K60-R62 PolarHBondContact O-N 3.45Å
63	G	58.8	Low	53.6	Low	43 Å²	43	90.6 Å²	90.6	44%	0.443	47%	0.473	S	S	.	.	H	α-helix	trans	71.9	174.2	174.8	0	0	0	0	0	114.7	G66 T67	G63-G66 PolarHBondContact O-N 3.44Å; G63-T67 PolarHBondContact O-N 2.99Å; G63-T67 VanDerWaalsContact O-N 3.13Å; G63-T67 PolarHBondContact O-OG1 2.72Å
64	V	59.4	Low	54.8	Low	14 Å²	14	88.7 Å²	88.7	9%	0.085	47%	0.467	C	S	.	.	H	α-helix	trans	-68.8	-38.3	-173.1	-176.6	0	0	0	0	112.4	L34 A37 L41 T67 I68 P278	L34-V64 HydrophobicContact CD2-CG1 3.64Å; A37-V64 HydrophobicContact CB-CG1 4.08Å; L41-V64 HydrophobicContact CD1-CG2 4Å; V64-T67 VanDerWaalsContact C-OG1 3.32Å; V64-T67 WeakPolarHBondContact CA-OG1 3.44Å; V64-T67 PolarHBondContact O-OG1 3.45Å; V64-I68 HydrophobicContact CG1-CD1 4.03Å; V64-I68 WeakPolarHBondContact O-CD1 3.47Å; V64-I68 WeakPolarHBondContact O-CG1 3.41Å; V64-I68 PolarHBondContact O-N 3.43Å; V64-P278 HydrophobicContact CG2-CB 3.9Å; V64-P278 HydrophobicContact CG2-CG 3.8Å
65	F	62.6	Low	56.1	Low	152 Å²	152	88.5 Å²	88.5	67%	0.667	45%	0.448	S	S	*	.	H	α-helix	trans	-74.9	-35.6	178.2	-75.3	-83.4	0	0	0	112.1	I68 V69	F65-I68 PolarHBondContact O-N 2.99Å; F65-V69 WeakPolarHBondContact O-CB 3.45Å; F65-V69 VanDerWaalsContact O-CG2 3.3Å; F65-V69 WeakPolarHBondContact O-CG2 3.39Å; F65-V69 PolarHBondContact O-N 3.21Å
66	G	60.4	Low	57.4	Low	26 Å²	26	79.2 Å²	79.2	27%	0.268	42%	0.42	S	S	.	.	H	α-helix	trans	-65.6	-39.6	175.7	0	0	0	0	0	112.6	G63 T70	G63-G66 PolarHBondContact O-N 3.44Å; G66-T70 VanDerWaalsContact O-CB 3.3Å; G66-T70 WeakPolarHBondContact O-CB 3.44Å; G66-T70 PolarHBondContact O-N 3.12Å; G66-T70 PolarHBondContact O-OG1 3.18Å
67	T	64.6	Low	58.8	Low	5 Å²	5	77.5 Å²	77.5	3%	0.031	41%	0.411	C	S	.	.	H	α-helix	trans	-61.1	-49.9	171.2	28.2	0	0	0	0	111.9	L41 Y61 G63 V64 V69 T70 M71	L41-T67 HydrophobicContact CD1-CG2 4.31Å; L41-T67 HydrophobicContact CD2-CG2 3.88Å; L41-T67 HydrophobicContact CG-CG2 3.7Å; Y61-T67 HydrophobicContact CD1-CG2 3.65Å; Y61-T67 HydrophobicContact CD2-CG2 4.12Å; Y61-T67 HydrophobicContact CE1-CG2 4.43Å; Y61-T67 HydrophobicContact CG-CG2 3.45Å; Y61-T67 VanDerWaalsContact CG-CG2 3.45Å; G63-T67 PolarHBondContact O-N 2.99Å; G63-T67 VanDerWaalsContact O-N 3.13Å; G63-T67 PolarHBondContact O-OG1 2.72Å; V64-T67 VanDerWaalsContact C-OG1 3.32Å; V64-T67 WeakPolarHBondContact CA-OG1 3.44Å; V64-T67 PolarHBondContact O-OG1 3.45Å; T67-V69 PolarHBondContact O-N 3.24Å; T67-T70 PolarHBondContact O-N 3.13Å; T67-M71 WeakPolarHBondContact O-CB 3.39Å; T67-M71 PolarHBondContact O-N 3.36Å
68	I	62.3	Low	60.1	Low	34 Å²	34	79 Å²	79	17%	0.174	41%	0.412	C	S	.	.	H	α-helix	trans	-61.9	-47	-176.6	-68	166.6	0	0	0	110.9	L34 A37 V64 F65 M71 V72 L80	L34-I68 HydrophobicContact CD2-CD1 4.42Å; A37-I68 HydrophobicContact CB-CD1 4.15Å; A37-I68 HydrophobicContact CB-CG1 3.77Å; V64-I68 HydrophobicContact CG1-CD1 4.03Å; V64-I68 WeakPolarHBondContact O-CD1 3.47Å; V64-I68 WeakPolarHBondContact O-CG1 3.41Å; V64-I68 PolarHBondContact O-N 3.43Å; F65-I68 PolarHBondContact O-N 2.99Å; I68-M71 PolarHBondContact O-N 3.11Å; I68-V72 WeakPolarHBondContact O-CG2 3.46Å; I68-V72 PolarHBondContact O-N 3.32Å; I68-L80 HydrophobicContact CG2-CD2 4.49Å
69	V	66.4	Low	61.1	Low	92 Å²	92	78.4 Å²	78.4	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-64.3	-44.4	-179.8	171.5	0	0	0	0	111.2	F65 T67 M71 R73	F65-V69 WeakPolarHBondContact O-CB 3.45Å; F65-V69 VanDerWaalsContact O-CG2 3.3Å; F65-V69 WeakPolarHBondContact O-CG2 3.39Å; F65-V69 PolarHBondContact O-N 3.21Å; T67-V69 PolarHBondContact O-N 3.24Å; V69-M71 VanDerWaalsContact C-N 3.3Å; V69-M71 PolarHBondContact O-N 2.98Å; V69-R73 WeakPolarHBondContact O-CB 3.4Å; V69-R73 PolarHBondContact O-N 3.1Å
70	T	65.6	Low	61.8	Low	44 Å²	44	75.2 Å²	75.2	27%	0.27	39%	0.386	S	S	.	.	H	α-helix	trans	-62.8	-42	177.9	-52.4	0	0	0	0	110.3	V59 Y61 G66 T67 R73 T74	V59-T70 HydrophobicContact CG1-CG2 4.14Å; Y61-T70 HydrophobicContact CD1-CG2 4.25Å; Y61-T70 HydrophobicContact CE1-CG2 3.72Å; G66-T70 VanDerWaalsContact O-CB 3.3Å; G66-T70 WeakPolarHBondContact O-CB 3.44Å; G66-T70 PolarHBondContact O-N 3.12Å; G66-T70 PolarHBondContact O-OG1 3.18Å; T67-T70 PolarHBondContact O-N 3.13Å; T70-R73 CarbonylContact O-C 3.57Å; T70-R73 PolarHBondContact O-N 3.26Å; T70-R73 VanDerWaalsContact O-N 3.15Å; T70-T74 HydrophobicContact CG2-CG2 4.11Å; T70-T74 WeakPolarHBondContact O-CG2 3.29Å; T70-T74 PolarHBondContact O-N 2.99Å; T70-T74 PolarHBondContact O-OG1 2.69Å
71	M	64.3	Low	62.7	Low	9 Å²	9	72.2 Å²	72.2	4%	0.044	37%	0.371	C	S	.	.	H	α-helix	trans	-63	-46.5	-179.6	-175.2	173.6	-169	0	0	112.9	T36 T67 I68 V69 R73 T74 E75 G76 S79 L80	T36-M71 HydrophobicContact CG2-CE 3.69Å; T36-M71 HydrophobicContact CG2-SD 4Å; T67-M71 WeakPolarHBondContact O-CB 3.39Å; T67-M71 PolarHBondContact O-N 3.36Å; I68-M71 PolarHBondContact O-N 3.11Å; V69-M71 VanDerWaalsContact C-N 3.3Å; V69-M71 PolarHBondContact O-N 2.98Å; M71-R73 PolarHBondContact O-N 3.02Å; M71-T74 PolarHBondContact O-N 3.3Å; M71-E75 WeakPolarHBondContact CE-OE2 3.39Å; M71-E75 PolarHBondContact O-N 2.92Å; M71-G76 PolarHBondContact O-N 3.07Å; M71-S79 WeakPolarHBondContact CE-O 3.39Å; M71-S79 WeakPolarHBondContact CE-OG 3.31Å; M71-L80 HydrophobicContact CG-CD2 4.4Å; M71-L80 HydrophobicContact SD-CD2 3.66Å; M71-L80 HydrophobicContact SD-CG 4.41Å
72	V	69.6	Low	63.1	Low	59 Å²	59	71.7 Å²	71.7	36%	0.358	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-35.5	175.9	173.5	0	0	0	0	110.8	I68 G76 L80	I68-V72 WeakPolarHBondContact O-CG2 3.46Å; I68-V72 PolarHBondContact O-N 3.32Å; V72-G76 VanDerWaalsContact O-CA 3.29Å; V72-G76 WeakPolarHBondContact O-CA 3.3Å; V72-G76 PolarHBondContact O-N 3.4Å; V72-L80 HydrophobicContact CG2-CD1 3.55Å; V72-L80 HydrophobicContact CG2-CG 4.3Å
73	R	64.3	Low	63.6	Low	221 Å²	221	61.5 Å²	61.5	83%	0.834	34%	0.337	S	S	*	.	H	α-helix	trans	-78.9	-30.3	-177.5	-139.9	178.1	-171.8	169.9	1.8	113.7	V69 T70 M71	V69-R73 WeakPolarHBondContact O-CB 3.4Å; V69-R73 PolarHBondContact O-N 3.1Å; T70-R73 CarbonylContact O-C 3.57Å; T70-R73 PolarHBondContact O-N 3.26Å; T70-R73 VanDerWaalsContact O-N 3.15Å; M71-R73 PolarHBondContact O-N 3.02Å
74	T	64.9	Low	64	Low	92 Å²	92	61 Å²	61	56%	0.564	32%	0.324	S	S	*	.	H	α-helix	trans	-98.4	-37.4	-176.8	55.9	0	0	0	0	113.8	T70 M71	T70-T74 HydrophobicContact CG2-CG2 4.11Å; T70-T74 WeakPolarHBondContact O-CG2 3.29Å; T70-T74 PolarHBondContact O-N 2.99Å; T70-T74 PolarHBondContact O-OG1 2.69Å; M71-T74 PolarHBondContact O-N 3.3Å
75	E	64.3	Low	64.3	Low	66 Å²	66	64.9 Å²	64.9	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-114.3	-8	-173.1	-60.9	177.1	-161.7	0	0	112.9	M71 S79	M71-E75 WeakPolarHBondContact CE-OE2 3.39Å; M71-E75 PolarHBondContact O-N 2.92Å; E75-S79 WeakPolarHBondContact OE2-CB 3.17Å; E75-S79 PolarHBondContact OE2-OG 2.94Å
76	G	68.3	Low	64.3	Low	22 Å²	22	57.7 Å²	57.7	23%	0.227	32%	0.316	C	S	.	.			trans	84.2	163.6	-177	0	0	0	0	0	114.2	M71 V72 L78 S79	M71-G76 PolarHBondContact O-N 3.07Å; V72-G76 VanDerWaalsContact O-CA 3.29Å; V72-G76 WeakPolarHBondContact O-CA 3.3Å; V72-G76 PolarHBondContact O-N 3.4Å; G76-L78 VanDerWaalsContact C-N 3.27Å; G76-L78 PolarHBondContact O-N 2.88Å; G76-S79 WeakPolarHBondContact O-CB 3.34Å; G76-S79 PolarHBondContact O-N 3.39Å; G76-S79 VanDerWaalsContact O-N 3.17Å
77	P	66	Low	64.5	Low	85 Å²	85	56.5 Å²	56.5	55%	0.552	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-66.5	-26.6	-174.9	25.8	-34.1	0	0	0	113.4	S79 L80	P77-S79 VanDerWaalsContact C-N 3.27Å; P77-S79 PolarHBondContact O-N 3.44Å; P77-L80 WeakPolarHBondContact O-CB 3.49Å; P77-L80 PolarHBondContact O-N 2.66Å
78	L	63	Low	64.6	Low	149 Å²	149	59.1 Å²	59.1	78%	0.78	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-69.6	-23.1	176.9	-81.1	149.7	0	0	0	112.9	G76 L80 Y81 S82	G76-L78 VanDerWaalsContact C-N 3.27Å; G76-L78 PolarHBondContact O-N 2.88Å; L78-L80 PolarHBondContact O-N 3.03Å; L78-Y81 PolarHBondContact O-N 3.4Å; L78-S82 PolarHBondContact O-N 3.16Å
79	S	64	Low	64.8	Low	17 Å²	17	61.2 Å²	61.2	12%	0.119	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-66.6	-27.2	177.5	-166.5	0	0	0	0	112.2	M71 E75 G76 P77 Y81 S82	M71-S79 WeakPolarHBondContact CE-O 3.39Å; M71-S79 WeakPolarHBondContact CE-OG 3.31Å; E75-S79 WeakPolarHBondContact OE2-CB 3.17Å; E75-S79 PolarHBondContact OE2-OG 2.94Å; G76-S79 WeakPolarHBondContact O-CB 3.34Å; G76-S79 PolarHBondContact O-N 3.39Å; G76-S79 VanDerWaalsContact O-N 3.17Å; P77-S79 VanDerWaalsContact C-N 3.27Å; P77-S79 PolarHBondContact O-N 3.44Å; S79-Y81 PolarHBondContact O-N 3.41Å; S79-S82 WeakPolarHBondContact O-CB 3.41Å; S79-S82 PolarHBondContact O-N 3.4Å
80	L	63	Low	64.9	Low	18 Å²	18	59.4 Å²	59.4	9%	0.094	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.6	-28.9	175.7	-72.1	167.1	0	0	0	112.9	F32 P33 T36 I68 M71 V72 P77 L78	F32-L80 WeakPolarHBondContact CD1-O 3.46Å; P33-L80 HydrophobicContact CB-CD2 4.19Å; T36-L80 PolarHBondContact OG1-O 3Å; I68-L80 HydrophobicContact CG2-CD2 4.49Å; M71-L80 HydrophobicContact CG-CD2 4.4Å; M71-L80 HydrophobicContact SD-CD2 3.66Å; M71-L80 HydrophobicContact SD-CG 4.41Å; V72-L80 HydrophobicContact CG2-CD1 3.55Å; V72-L80 HydrophobicContact CG2-CG 4.3Å; P77-L80 WeakPolarHBondContact O-CB 3.49Å; P77-L80 PolarHBondContact O-N 2.66Å; L78-L80 PolarHBondContact O-N 3.03Å
81	Y	64.1	Low	64.8	Low	104 Å²	104	58.5 Å²	58.5	41%	0.408	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-97.2	5.3	178.2	-65.4	-79.8	0	0	0	113.1	L78 S79 G83 L84	L78-Y81 PolarHBondContact O-N 3.4Å; S79-Y81 PolarHBondContact O-N 3.41Å; Y81-G83 PolarHBondContact O-N 3.28Å; Y81-G83 VanDerWaalsContact O-N 3.07Å; Y81-L84 HydrophobicContact CD1-CD2 4.05Å; Y81-L84 VanDerWaalsContact O-CB 3.25Å; Y81-L84 WeakPolarHBondContact O-CB 3.17Å; Y81-L84 PolarHBondContact O-N 2.99Å
82	S	59.9	Low	64.8	Low	34 Å²	34	64.7 Å²	64.7	24%	0.238	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	112.9	172.2	-178.2	0	0	0	0	109.9	L78 S79 F146	L78-S82 PolarHBondContact O-N 3.16Å; S79-S82 WeakPolarHBondContact O-CB 3.41Å; S79-S82 PolarHBondContact O-N 3.4Å; S82-F146 WeakPolarHBondContact OG-CE1 3.24Å
83	G	60.6	Low	64.6	Low	6 Å²	6	64 Å²	64	6%	0.062	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	4	-177.4	0	0	0	0	0	115	F32 Y81 V85 A86 G87	F32-G83 VanDerWaalsContact CZ-C 3.4Å; F32-G83 WeakPolarHBondContact CZ-O 3.48Å; Y81-G83 PolarHBondContact O-N 3.28Å; Y81-G83 VanDerWaalsContact O-N 3.07Å; G83-V85 VanDerWaalsContact C-N 3.28Å; G83-V85 PolarHBondContact O-N 3.23Å; G83-A86 WeakPolarHBondContact O-CB 3.43Å; G83-A86 PolarHBondContact O-N 3.42Å; G83-A86 VanDerWaalsContact O-N 3.12Å; G83-G87 PolarHBondContact O-N 2.96Å
84	L	66.3	Low	64.6	Low	31 Å²	31	57.4 Å²	57.4	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-54.6	-43.9	175.5	179.3	68.2	0	0	0	111.8	L29 F32 Y81 A86 G87 L88	L29-L84 HydrophobicContact CD1-CD1 4.1Å; L29-L84 HydrophobicContact CD1-CD2 3.81Å; F32-L84 HydrophobicContact CD1-CD1 4.47Å; F32-L84 HydrophobicContact CD2-CD1 3.69Å; F32-L84 HydrophobicContact CE1-CB 4.27Å; F32-L84 HydrophobicContact CE2-CD1 4Å; F32-L84 HydrophobicContact CG-CD1 3.97Å; F32-L84 HydrophobicContact CZ-CB 4.29Å; Y81-L84 HydrophobicContact CD1-CD2 4.05Å; Y81-L84 VanDerWaalsContact O-CB 3.25Å; Y81-L84 WeakPolarHBondContact O-CB 3.17Å; Y81-L84 PolarHBondContact O-N 2.99Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.01Å; L84-G87 CarbonylContact O-C 3.6Å; L84-G87 WeakPolarHBondContact O-CA 3.49Å; L84-G87 PolarHBondContact O-N 3.24Å; L84-L88 HydrophobicContact CD1-CD1 4.44Å; L84-L88 HydrophobicContact CD1-CG 4.38Å; L84-L88 HydrophobicContact CD2-CD1 4.47Å; L84-L88 HydrophobicContact CG-CD1 4.03Å; L84-L88 HydrophobicContact CG-CG 4.39Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.08Å
85	V	65.6	Low	64.4	Low	97 Å²	97	54.2 Å²	54.2	59%	0.588	29%	0.291	S	S	*	.	H	α-helix	trans	-59.3	-42.4	178.1	179.2	0	0	0	0	111.4	G83 G87 L88 Q89	G83-V85 VanDerWaalsContact C-N 3.28Å; G83-V85 PolarHBondContact O-N 3.23Å; V85-G87 VanDerWaalsContact C-N 3.32Å; V85-G87 PolarHBondContact O-N 3.31Å; V85-L88 PolarHBondContact O-N 3.14Å; V85-Q89 WeakPolarHBondContact O-CB 3.33Å; V85-Q89 PolarHBondContact O-N 2.95Å
86	A	62.9	Low	64.4	Low	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.4	-34.4	175.1	0	0	0	0	0	112	G83 L84 R90 K143 T162	G83-A86 WeakPolarHBondContact O-CB 3.43Å; G83-A86 PolarHBondContact O-N 3.42Å; G83-A86 VanDerWaalsContact O-N 3.12Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.01Å; A86-R90 WeakPolarHBondContact O-CB 3.49Å; A86-R90 PolarHBondContact O-N 3.32Å; A86-K143 HydrophobicContact CB-CB 4.05Å; A86-K143 HydrophobicContact CB-CG 4.25Å; A86-T162 HydrophobicContact CB-CG2 4.03Å
87	G	64.8	Low	64.2	Low	1 Å²	1	54.4 Å²	54.4	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-46.9	173	0	0	0	0	0	113.3	G83 L84 V85 R90 Q91	G83-G87 PolarHBondContact O-N 2.96Å; L84-G87 CarbonylContact O-C 3.6Å; L84-G87 WeakPolarHBondContact O-CA 3.49Å; L84-G87 PolarHBondContact O-N 3.24Å; V85-G87 VanDerWaalsContact C-N 3.32Å; V85-G87 PolarHBondContact O-N 3.31Å; G87-R90 WeakPolarHBondContact O-CB 3.33Å; G87-R90 PolarHBondContact O-N 3.39Å; G87-Q91 PolarHBondContact O-N 3.42Å
88	L	66.6	Low	63.8	Low	61 Å²	61	58.2 Å²	58.2	32%	0.319	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.4	-70.8	169.9	0	0	0	111.4	C25 L84 V85 R90 Q91 M92	C25-L88 HydrophobicContact CB-CD2 4.11Å; L84-L88 HydrophobicContact CD1-CD1 4.44Å; L84-L88 HydrophobicContact CD1-CG 4.38Å; L84-L88 HydrophobicContact CD2-CD1 4.47Å; L84-L88 HydrophobicContact CG-CD1 4.03Å; L84-L88 HydrophobicContact CG-CG 4.39Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.08Å; V85-L88 PolarHBondContact O-N 3.14Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.97Å; L88-Q91 PolarHBondContact O-N 3.28Å; L88-M92 WeakPolarHBondContact O-CB 3.32Å; L88-M92 PolarHBondContact O-N 2.96Å
89	Q	67.1	Low	63.6	Low	77 Å²	77	55 Å²	55	36%	0.36	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-43.4	174.2	-175.8	178.1	-7.7	0	0	111.4	V85 Q91 M92 S93 T139	V85-Q89 WeakPolarHBondContact O-CB 3.33Å; V85-Q89 PolarHBondContact O-N 2.95Å; Q89-Q91 PolarHBondContact O-N 3.36Å; Q89-M92 PolarHBondContact O-N 3Å; Q89-S93 WeakPolarHBondContact O-CB 3.32Å; Q89-S93 PolarHBondContact O-N 3.46Å; Q89-S93 PolarHBondContact O-OG 3.32Å; Q89-T139 HydrophobicContact CB-CG2 4.33Å; Q89-T139 HydrophobicContact CG-CG2 4.11Å
90	R	68.6	Low	63.5	Low	55 Å²	55	56.3 Å²	56.3	21%	0.208	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-46.8	174.1	-175.5	-161	67.4	80.9	4.6	111.2	D28 A86 G87 L88 M92 S93 F94 T139 D140	D28-R90 IonicContact OD2-NH2 2.72Å; D28-R90 PolarHBondContact OD2-NH2 3.4Å; A86-R90 WeakPolarHBondContact O-CB 3.49Å; A86-R90 PolarHBondContact O-N 3.32Å; G87-R90 WeakPolarHBondContact O-CB 3.33Å; G87-R90 PolarHBondContact O-N 3.39Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.97Å; R90-M92 VanDerWaalsContact C-N 3.33Å; R90-M92 PolarHBondContact O-N 3.17Å; R90-S93 PolarHBondContact O-N 3.01Å; R90-F94 VanDerWaalsContact O-CB 3.23Å; R90-F94 WeakPolarHBondContact O-CB 3.43Å; R90-F94 PolarHBondContact O-N 3.31Å; R90-T139 HydrophobicContact CB-CG2 4.06Å; R90-D140 WeakPolarHBondContact CD-OD1 3.5Å; R90-D140 WeakPolarHBondContact CG-OD1 3.24Å
91	Q	63.3	Low	63.5	Low	24 Å²	24	57.5 Å²	57.5	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-42.7	-179.9	-157.2	84.1	-47.5	0	0	111.3	A24 D28 G87 L88 Q89 F94 A95	A24-Q91 HydrophobicContact CB-CG 4.26Å; A24-Q91 VanDerWaalsContact CB-NE2 3.34Å; A24-Q91 PolarHBondContact O-NE2 3.39Å; A24-Q91 VanDerWaalsContact O-NE2 3.14Å; D28-Q91 PolarHBondContact OD1-NE2 2.99Å; D28-Q91 VanDerWaalsContact OD1-NE2 3.13Å; D28-Q91 VanDerWaalsContact OD2-CD 3.27Å; D28-Q91 PolarHBondContact OD2-NE2 3.29Å; D28-Q91 PolarHBondContact OD2-OE1 3.46Å; G87-Q91 PolarHBondContact O-N 3.42Å; L88-Q91 PolarHBondContact O-N 3.28Å; Q89-Q91 PolarHBondContact O-N 3.36Å; Q91-F94 PolarHBondContact O-N 3.12Å; Q91-A95 WeakPolarHBondContact O-CB 3.23Å; Q91-A95 PolarHBondContact O-N 2.9Å
92	M	64.8	Low	63.2	Low	139 Å²	139	58.2 Å²	58.2	69%	0.685	31%	0.306	S	S	*	.	H	α-helix	trans	-66.8	-42.7	179.2	-168.4	171.7	173.3	0	0	112.1	L88 Q89 R90 S96	L88-M92 WeakPolarHBondContact O-CB 3.32Å; L88-M92 PolarHBondContact O-N 2.96Å; Q89-M92 PolarHBondContact O-N 3Å; R90-M92 VanDerWaalsContact C-N 3.33Å; R90-M92 PolarHBondContact O-N 3.17Å; M92-S96 WeakPolarHBondContact O-CB 3.05Å; M92-S96 PolarHBondContact O-N 3.43Å; M92-S96 PolarHBondContact O-OG 2.72Å
93	S	65.3	Low	63.3	Low	44 Å²	44	61.2 Å²	61.2	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-44	174	-67.2	0	0	0	0	111.8	Q89 R90 S96 V97	Q89-S93 WeakPolarHBondContact O-CB 3.32Å; Q89-S93 PolarHBondContact O-N 3.46Å; Q89-S93 PolarHBondContact O-OG 3.32Å; R90-S93 PolarHBondContact O-N 3.01Å; S93-S96 PolarHBondContact O-N 2.86Å; S93-V97 WeakPolarHBondContact O-CG2 3.19Å; S93-V97 PolarHBondContact O-N 3.3Å
94	F	63.9	Low	63.4	Low	84 Å²	84	64.3 Å²	64.3	37%	0.368	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-42.3	179.3	-163.7	-96.6	0	0	0	111.6	R90 Q91 R98	R90-F94 VanDerWaalsContact O-CB 3.23Å; R90-F94 WeakPolarHBondContact O-CB 3.43Å; R90-F94 PolarHBondContact O-N 3.31Å; Q91-F94 PolarHBondContact O-N 3.12Å; F94-R98 WeakPolarHBondContact O-CB 3.36Å; F94-R98 PolarHBondContact O-N 2.92Å
95	A	60.9	Low	63.3	Low	24 Å²	24	63.9 Å²	63.9	20%	0.198	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-43	174.8	0	0	0	0	0	111.8	F17 Q91 R98 I99	F17-A95 HydrophobicContact CE2-CB 3.92Å; F17-A95 HydrophobicContact CZ-CB 4.29Å; Q91-A95 WeakPolarHBondContact O-CB 3.23Å; Q91-A95 PolarHBondContact O-N 2.9Å; A95-R98 PolarHBondContact O-N 3.12Å; A95-I99 PolarHBondContact O-N 3.47Å
96	S	64	Low	62.9	Low	66 Å²	66	64.6 Å²	64.6	46%	0.462	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-45.6	178.4	-58.5	0	0	0	0	112.2	M92 S93 I99 G100	M92-S96 WeakPolarHBondContact O-CB 3.05Å; M92-S96 PolarHBondContact O-N 3.43Å; M92-S96 PolarHBondContact O-OG 2.72Å; S93-S96 PolarHBondContact O-N 2.86Å; S96-I99 PolarHBondContact O-N 2.86Å; S96-G100 PolarHBondContact O-N 3.43Å
97	V	63.9	Low	62.9	Low	27 Å²	27	71.7 Å²	71.7	16%	0.164	37%	0.367	C	S	.	.	H	α-helix	trans	-67	-42.6	176.8	173.3	0	0	0	0	110.7	S93 I99 G100 L101 A132 L135	S93-V97 WeakPolarHBondContact O-CG2 3.19Å; S93-V97 PolarHBondContact O-N 3.3Å; V97-I99 PolarHBondContact O-N 2.87Å; V97-G100 PolarHBondContact O-N 2.95Å; V97-L101 HydrophobicContact CG1-CB 4.36Å; V97-L101 HydrophobicContact CG1-CD1 4.4Å; V97-L101 HydrophobicContact CG1-CD2 4.47Å; V97-L101 WeakPolarHBondContact O-CB 3.3Å; V97-L101 PolarHBondContact O-N 3.44Å; V97-A132 HydrophobicContact CG1-CB 3.84Å; V97-L135 HydrophobicContact CG1-CD1 4.44Å; V97-L135 HydrophobicContact CG2-CD1 4.16Å
98	R	56.9	Low	62.9	Low	165 Å²	165	79 Å²	79	62%	0.623	40%	0.399	S	S	*	.	H	α-helix	trans	-62.5	-31	176.8	-172.7	176.3	-178.9	172.5	3	111.9	F94 A95 Y102	F94-R98 WeakPolarHBondContact O-CB 3.36Å; F94-R98 PolarHBondContact O-N 2.92Å; A95-R98 PolarHBondContact O-N 3.12Å; R98-Y102 WeakPolarHBondContact O-CB 3.34Å; R98-Y102 PolarHBondContact O-N 3.32Å
99	I	59.6	Low	62.5	Low	81 Å²	81	79.9 Å²	79.9	42%	0.415	40%	0.399	S	S	.	.	H	α-helix	trans	-80.4	-47.7	174.3	-75.6	-136.2	0	0	0	112.5	F17 A95 S96 V97	F17-I99 HydrophobicContact CB-CD1 3.66Å; F17-I99 HydrophobicContact CD1-CD1 3.82Å; F17-I99 HydrophobicContact CD2-CD1 2.91Å; F17-I99 HydrophobicContact CD2-CG1 3.49Å; F17-I99 VanDerWaalsContact CD2-CG1 3.49Å; F17-I99 HydrophobicContact CE1-CD1 4.11Å; F17-I99 HydrophobicContact CE2-CB 4.29Å; F17-I99 HydrophobicContact CE2-CD1 3.23Å; F17-I99 HydrophobicContact CE2-CG1 3.34Å; F17-I99 HydrophobicContact CG-CD1 3.18Å; F17-I99 HydrophobicContact CG-CG1 4.23Å; F17-I99 HydrophobicContact CZ-CD1 3.82Å; F17-I99 HydrophobicContact CZ-CG1 4.04Å; A95-I99 PolarHBondContact O-N 3.47Å; S96-I99 PolarHBondContact O-N 2.86Å; V97-I99 PolarHBondContact O-N 2.87Å
100	G	61.7	Low	62.2	Low	44 Å²	44	78.6 Å²	78.6	45%	0.454	40%	0.396	S	S	.	.	H	α-helix	trans	-71.4	-39	-175	0	0	0	0	0	113.6	S96 V97 S104	S96-G100 PolarHBondContact O-N 3.43Å; V97-G100 PolarHBondContact O-N 2.95Å; G100-S104 PolarHBondContact O-OG 3.33Å
101	L	63.6	Low	61.7	Low	44 Å²	44	84.3 Å²	84.3	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-93.1	-26.1	-176	-96.3	78.8	0	0	0	113.7	V97 D103 S104 V105 M131	V97-L101 HydrophobicContact CG1-CB 4.36Å; V97-L101 HydrophobicContact CG1-CD1 4.4Å; V97-L101 HydrophobicContact CG1-CD2 4.47Å; V97-L101 WeakPolarHBondContact O-CB 3.3Å; V97-L101 PolarHBondContact O-N 3.44Å; L101-D103 PolarHBondContact O-N 3.47Å; L101-S104 PolarHBondContact O-N 3.2Å; L101-V105 VanDerWaalsContact O-CG2 3.31Å; L101-V105 WeakPolarHBondContact O-CG2 3.35Å; L101-V105 PolarHBondContact O-N 2.92Å; L101-M131 HydrophobicContact CD2-CB 4.21Å; L101-M131 HydrophobicContact CD2-CE 3.72Å; L101-M131 HydrophobicContact CD2-SD 4.25Å
102	Y	57.9	Low	61.2	Low	118 Å²	118	87.1 Å²	87.1	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-64.9	-44.5	-172.5	-175.9	-99.4	0	0	0	112.3	R98 V105 K106	R98-Y102 WeakPolarHBondContact O-CB 3.34Å; R98-Y102 PolarHBondContact O-N 3.32Å; Y102-V105 PolarHBondContact O-N 2.96Å; Y102-K106 HydrophobicContact CE1-CD 4.1Å; Y102-K106 WeakPolarHBondContact O-CB 3.42Å; Y102-K106 PolarHBondContact O-N 3.03Å
103	D	60.8	Low	60.4	Low	97 Å²	97	84.1 Å²	84.1	52%	0.519	45%	0.45	S	S	.	.	H	α-helix	trans	-68.2	-38.4	177.7	-71.5	-32.4	0	0	0	111.6	L101 K106 Q107	L101-D103 PolarHBondContact O-N 3.47Å; D103-K106 PolarHBondContact O-N 3.24Å; D103-Q107 WeakPolarHBondContact O-CB 3.38Å; D103-Q107 VanDerWaalsContact O-CG 3.29Å; D103-Q107 WeakPolarHBondContact O-CG 3.48Å; D103-Q107 PolarHBondContact O-N 2.88Å
104	S	63.5	Low	59.8	Low	72 Å²	72	89.5 Å²	89.5	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-62.2	-46.5	176	-59.9	0	0	0	0	112	G100 L101 F108	G100-S104 PolarHBondContact O-OG 3.33Å; L101-S104 PolarHBondContact O-N 3.2Å; S104-F108 WeakPolarHBondContact O-CB 3.34Å; S104-F108 PolarHBondContact O-N 3.46Å
105	V	63.2	Low	59	Low	21 Å²	21	94 Å²	94	13%	0.127	50%	0.498	C	S	.	.	H	α-helix	trans	-73.7	-37.7	179.5	-178.6	0	0	0	0	111.2	L101 Y102 Q107 F108 Y109 T128	L101-V105 VanDerWaalsContact O-CG2 3.31Å; L101-V105 WeakPolarHBondContact O-CG2 3.35Å; L101-V105 PolarHBondContact O-N 2.92Å; Y102-V105 PolarHBondContact O-N 2.96Å; V105-Q107 PolarHBondContact O-N 3.44Å; V105-F108 PolarHBondContact O-N 3.41Å; V105-Y109 HydrophobicContact CG1-CD2 4.34Å; V105-Y109 PolarHBondContact O-N 2.9Å; V105-T128 HydrophobicContact CB-CG2 4.35Å; V105-T128 WeakPolarHBondContact CB-OG1 3.37Å; V105-T128 WeakPolarHBondContact CG1-OG1 3.21Å; V105-T128 HydrophobicContact CG2-CG2 4.1Å
106	K	57.1	Low	58.8	Low	112 Å²	112	94 Å²	94	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-44.3	175	-172.2	180	179.8	-171.7	0	111	Y102 D103 Y109 T110	Y102-K106 HydrophobicContact CE1-CD 4.1Å; Y102-K106 WeakPolarHBondContact O-CB 3.42Å; Y102-K106 PolarHBondContact O-N 3.03Å; D103-K106 PolarHBondContact O-N 3.24Å; K106-Y109 PolarHBondContact O-N 3.41Å; K106-T110 WeakPolarHBondContact O-CB 3.22Å; K106-T110 PolarHBondContact O-N 2.88Å; K106-T110 PolarHBondContact O-OG1 3.43Å
107	Q	62.8	Low	58.8	Low	149 Å²	149	92.9 Å²	92.9	70%	0.696	49%	0.494	S	S	*	.	H	α-helix	trans	-64.5	-41.2	175.4	-76.8	-179.6	-17	0	0	112.2	D103 V105 Y109 T110 K111	D103-Q107 WeakPolarHBondContact O-CB 3.38Å; D103-Q107 VanDerWaalsContact O-CG 3.29Å; D103-Q107 WeakPolarHBondContact O-CG 3.48Å; D103-Q107 PolarHBondContact O-N 2.88Å; V105-Q107 PolarHBondContact O-N 3.44Å; Q107-Y109 VanDerWaalsContact C-N 3.29Å; Q107-Y109 PolarHBondContact O-N 3.48Å; Q107-T110 PolarHBondContact O-N 3.42Å; Q107-K111 PolarHBondContact O-N 3.06Å
108	F	65	Low	59	Low	156 Å²	156	95.9 Å²	95.9	68%	0.684	51%	0.508	S	S	*	.	H	α-helix	trans	-63.1	-35.8	178.7	-152.4	-91.4	0	0	0	112.8	S104 V105	S104-F108 WeakPolarHBondContact O-CB 3.34Å; S104-F108 PolarHBondContact O-N 3.46Å; V105-F108 PolarHBondContact O-N 3.41Å
109	Y	59.3	Low	59.4	Low	78 Å²	78	90.3 Å²	90.3	31%	0.306	50%	0.502	S	S	.	.	H	α-helix	trans	-88	-28.4	179.7	-109.3	-89.5	0	0	0	114.7	V105 K106 Q107 S120 L123 A124	V105-Y109 HydrophobicContact CG1-CD2 4.34Å; V105-Y109 PolarHBondContact O-N 2.9Å; K106-Y109 PolarHBondContact O-N 3.41Å; Q107-Y109 VanDerWaalsContact C-N 3.29Å; Q107-Y109 PolarHBondContact O-N 3.48Å; Y109-S120 VanDerWaalsContact CD1-O 3.22Å; Y109-S120 WeakPolarHBondContact CD1-O 3.46Å; Y109-S120 WeakPolarHBondContact CE1-O 3.42Å; Y109-L123 HydrophobicContact CE1-CB 4.09Å; Y109-L123 WeakPolarHBondContact OH-CB 3.4Å; Y109-A124 HydrophobicContact CD1-CB 3.81Å; Y109-A124 HydrophobicContact CD2-CB 3.55Å; Y109-A124 HydrophobicContact CE1-CB 4.19Å; Y109-A124 HydrophobicContact CE2-CB 3.96Å; Y109-A124 HydrophobicContact CG-CB 3.47Å; Y109-A124 VanDerWaalsContact CG-CB 3.47Å
110	T	60.6	Low	59.8	Low	50 Å²	50	88.3 Å²	88.3	31%	0.307	50%	0.495	S	S	.	.	H	α-helix	trans	-81.9	-24.6	-174.2	-50	0	0	0	0	112.2	K106 Q107 G112 S113 V116	K106-T110 WeakPolarHBondContact O-CB 3.22Å; K106-T110 PolarHBondContact O-N 2.88Å; K106-T110 PolarHBondContact O-OG1 3.43Å; Q107-T110 PolarHBondContact O-N 3.42Å; T110-G112 PolarHBondContact O-N 3.25Å; T110-S113 PolarHBondContact O-N 2.92Å; T110-V116 HydrophobicContact CG2-CG2 3.89Å
111	K	56.7	Low	60	Low	176 Å²	176	93.3 Å²	93.3	77%	0.765	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	27.3	44.6	171	-93	-169.9	-179.5	-176	0	115.5	Q107 S113	Q107-K111 PolarHBondContact O-N 3.06Å; K111-S113 PolarHBondContact O-N 2.79Å
112	G	53.2	Low	60.2	Low	83 Å²	83	93.2 Å²	93.2	86%	0.856	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	12.7	176.2	0	0	0	0	0	118.5	T110	T110-G112 PolarHBondContact O-N 3.25Å
113	S	47.8	Very low	60.8	Low	75 Å²	75	92.3 Å²	92.3	52%	0.524	50%	0.502	S	S	.	.			trans	-108.5	120.9	175.1	-79.7	0	0	0	0	112.2	T110 K111 H115 V116	T110-S113 PolarHBondContact O-N 2.92Å; K111-S113 PolarHBondContact O-N 2.79Å; S113-H115 PolarHBondContact O-N 3.13Å; S113-V116 WeakPolarHBondContact O-CG2 3.31Å
114	D	53.8	Low	61.1	Low	157 Å²	157	88.3 Å²	88.3	84%	0.84	48%	0.483	S	S	*	.	S	Bend	trans	-66.5	-19.8	177	-89	-28.5	0	0	0	113.4
115	H	46	Very low	61.1	Low	180 Å²	180	86.3 Å²	86.3	83%	0.833	47%	0.473	S	S	*	.			trans	-106.3	64.1	179.9	-70.2	-127	0	0	0	111.1	S113 G117	S113-H115 PolarHBondContact O-N 3.13Å; H115-G117 PolarHBondContact O-N 3.01Å; H115-G117 VanDerWaalsContact O-N 3.12Å
116	V	58.1	Low	61.5	Low	23 Å²	23	86.9 Å²	86.9	14%	0.139	48%	0.478	C	S	.	.			trans	-68.1	108.4	170.3	-174.1	0	0	0	0	108.4	T110 S113 S120 R121	T110-V116 HydrophobicContact CG2-CG2 3.89Å; S113-V116 WeakPolarHBondContact O-CG2 3.31Å; V116-S120 WeakPolarHBondContact CG1-OG 3.39Å; V116-R121 HydrophobicContact CB-CG 4.16Å; V116-R121 HydrophobicContact CG1-CG 3.55Å; V116-R121 PolarHBondContact O-NE 3.22Å
117	G	63.9	Low	62.1	Low	42 Å²	42	84.7 Å²	84.7	43%	0.433	47%	0.474	S	S	.	.			trans	-54	149	175.7	0	0	0	0	0	112.4	H115 G119 S120 R121	H115-G117 PolarHBondContact O-N 3.01Å; H115-G117 VanDerWaalsContact O-N 3.12Å; G117-G119 PolarHBondContact O-N 3.13Å; G117-G119 VanDerWaalsContact O-N 3.1Å; G117-S120 PolarHBondContact N-OG 3.37Å; G117-S120 PolarHBondContact O-N 2.81Å; G117-S120 PolarHBondContact O-OG 3.13Å; G117-R121 PolarHBondContact O-N 3.39Å
118	I	66.6	Low	62.3	Low	91 Å²	91	78.6 Å²	78.6	47%	0.467	45%	0.447	S	S	.	.	H	α-helix	trans	-51.9	-38.1	-179	-66.2	166	0	0	0	111.2	S120 R121 L122 L197	I118-S120 PolarHBondContact O-N 2.67Å; I118-R121 PolarHBondContact O-N 3.5Å; I118-L122 WeakPolarHBondContact O-CB 3.4Å; I118-L122 PolarHBondContact O-N 2.82Å; I118-L197 HydrophobicContact CG2-CD1 4.07Å; I118-L197 HydrophobicContact CG2-CD2 3.44Å; I118-L197 VanDerWaalsContact CG2-CD2 3.44Å; I118-L197 HydrophobicContact CG2-CG 4.26Å
119	G	67.1	Low	62.4	Low	47 Å²	47	71.8 Å²	71.8	49%	0.485	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-39.3	177.5	0	0	0	0	0	114.7	G117 L122 L123	G117-G119 PolarHBondContact O-N 3.13Å; G117-G119 VanDerWaalsContact O-N 3.1Å; G119-L122 PolarHBondContact O-N 2.98Å; G119-L123 WeakPolarHBondContact O-CG 3.47Å; G119-L123 PolarHBondContact O-N 3.26Å
120	S	67.6	Low	62.9	Low	40 Å²	40	68.7 Å²	68.7	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-76.1	-32.6	177.7	49.3	0	0	0	0	111.9	Y109 V116 G117 I118 L122 L123 A124	Y109-S120 VanDerWaalsContact CD1-O 3.22Å; Y109-S120 WeakPolarHBondContact CD1-O 3.46Å; Y109-S120 WeakPolarHBondContact CE1-O 3.42Å; V116-S120 WeakPolarHBondContact CG1-OG 3.39Å; G117-S120 PolarHBondContact N-OG 3.37Å; G117-S120 PolarHBondContact O-N 2.81Å; G117-S120 PolarHBondContact O-OG 3.13Å; I118-S120 PolarHBondContact O-N 2.67Å; S120-L122 VanDerWaalsContact C-N 3.29Å; S120-L122 PolarHBondContact O-N 2.97Å; S120-L123 PolarHBondContact O-N 3.49Å; S120-A124 VanDerWaalsContact O-CB 3.27Å; S120-A124 WeakPolarHBondContact O-CB 3.39Å; S120-A124 PolarHBondContact O-N 3.49Å
121	R	65.1	Low	63.4	Low	149 Å²	149	71.2 Å²	71.2	56%	0.562	42%	0.422	S	S	*	.	H	α-helix	trans	-62.1	-38.9	168.5	-62.5	-175.5	179.9	168.4	0.2	111.8	V116 G117 I118 A124 G125	V116-R121 HydrophobicContact CB-CG 4.16Å; V116-R121 HydrophobicContact CG1-CG 3.55Å; V116-R121 PolarHBondContact O-NE 3.22Å; G117-R121 PolarHBondContact O-N 3.39Å; I118-R121 PolarHBondContact O-N 3.5Å; R121-A124 PolarHBondContact O-N 3.2Å; R121-G125 PolarHBondContact O-N 3.1Å
122	L	68.4	Low	63.8	Low	41 Å²	41	63.3 Å²	63.3	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-70.3	-43.9	179	-168.3	145.5	0	0	0	111.6	I118 G119 S120 A124 G125 C126 L197	I118-L122 WeakPolarHBondContact O-CB 3.4Å; I118-L122 PolarHBondContact O-N 2.82Å; G119-L122 PolarHBondContact O-N 2.98Å; S120-L122 VanDerWaalsContact C-N 3.29Å; S120-L122 PolarHBondContact O-N 2.97Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.47Å; L122-G125 PolarHBondContact O-N 3.18Å; L122-C126 WeakPolarHBondContact O-CB 3.44Å; L122-C126 PolarHBondContact O-N 2.69Å; L122-C126 PolarHBondContact O-SG 3.13Å; L122-C126 VanDerWaalsContact O-SG 3.39Å; L122-L197 HydrophobicContact CB-CD1 4.48Å; L122-L197 HydrophobicContact CD1-CB 4.24Å; L122-L197 HydrophobicContact CD1-CD1 4.1Å; L122-L197 HydrophobicContact CD1-CD2 3.8Å; L122-L197 HydrophobicContact CD1-CG 4.25Å
123	L	70.1	Confident	64.5	Low	99 Å²	99	60.2 Å²	60.2	52%	0.518	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-39.3	173.9	-70.5	169.9	0	0	0	112	Y109 G119 S120 T127	Y109-L123 HydrophobicContact CE1-CB 4.09Å; Y109-L123 WeakPolarHBondContact OH-CB 3.4Å; G119-L123 WeakPolarHBondContact O-CG 3.47Å; G119-L123 PolarHBondContact O-N 3.26Å; S120-L123 PolarHBondContact O-N 3.49Å; L123-T127 WeakPolarHBondContact O-CB 3.3Å; L123-T127 WeakPolarHBondContact O-CG2 3.47Å; L123-T127 PolarHBondContact O-N 2.85Å; L123-T127 PolarHBondContact O-OG1 2.89Å
124	A	66.4	Low	65.6	Low	13 Å²	13	58.3 Å²	58.3	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-45	171.6	0	0	0	0	0	111.8	Y109 S120 R121 L122 T127 T128	Y109-A124 HydrophobicContact CD1-CB 3.81Å; Y109-A124 HydrophobicContact CD2-CB 3.55Å; Y109-A124 HydrophobicContact CE1-CB 4.19Å; Y109-A124 HydrophobicContact CE2-CB 3.96Å; Y109-A124 HydrophobicContact CG-CB 3.47Å; Y109-A124 VanDerWaalsContact CG-CB 3.47Å; S120-A124 VanDerWaalsContact O-CB 3.27Å; S120-A124 WeakPolarHBondContact O-CB 3.39Å; S120-A124 PolarHBondContact O-N 3.49Å; R121-A124 PolarHBondContact O-N 3.2Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.47Å; A124-T127 WeakPolarHBondContact CA-OG1 3.38Å; A124-T127 PolarHBondContact O-N 3.04Å; A124-T127 PolarHBondContact O-OG1 2.91Å; A124-T128 WeakPolarHBondContact O-CB 3.44Å; A124-T128 PolarHBondContact O-N 2.97Å; A124-T128 PolarHBondContact O-OG1 3.01Å
125	G	65.3	Low	66.3	Low	30 Å²	30	56 Å²	56	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-46.2	177	0	0	0	0	0	112.6	R121 L122 G129	R121-G125 PolarHBondContact O-N 3.1Å; L122-G125 PolarHBondContact O-N 3.18Å; G125-G129 WeakPolarHBondContact O-CA 3.38Å; G125-G129 PolarHBondContact O-N 2.89Å
126	C	70	Confident	67.3	Low	34 Å²	34	47.7 Å²	47.7	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-40.6	177.7	-74.6	0	0	0	0	112.4	L122 G130	L122-C126 WeakPolarHBondContact O-CB 3.44Å; L122-C126 PolarHBondContact O-N 2.69Å; L122-C126 PolarHBondContact O-SG 3.13Å; L122-C126 VanDerWaalsContact O-SG 3.39Å; C126-G130 PolarHBondContact O-N 3.03Å
127	T	70.1	Confident	67.9	Low	65 Å²	65	46.6 Å²	46.6	40%	0.399	29%	0.286	S	S	.	.	H	α-helix	trans	-70.3	-46.6	178	45.9	0	0	0	0	112	L123 A124 G129 G130 M131	L123-T127 WeakPolarHBondContact O-CB 3.3Å; L123-T127 WeakPolarHBondContact O-CG2 3.47Å; L123-T127 PolarHBondContact O-N 2.85Å; L123-T127 PolarHBondContact O-OG1 2.89Å; A124-T127 WeakPolarHBondContact CA-OG1 3.38Å; A124-T127 PolarHBondContact O-N 3.04Å; A124-T127 PolarHBondContact O-OG1 2.91Å; T127-G129 VanDerWaalsContact C-N 3.33Å; T127-G129 PolarHBondContact O-N 3.31Å; T127-G130 PolarHBondContact O-N 3Å; T127-M131 WeakPolarHBondContact O-CG 3.16Å; T127-M131 PolarHBondContact O-N 3.25Å
128	T	67.4	Low	67.9	Low	22 Å²	22	45.7 Å²	45.7	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-44.6	174.6	-44.8	0	0	0	0	110.9	V105 A124 M131 A132	V105-T128 HydrophobicContact CB-CG2 4.35Å; V105-T128 WeakPolarHBondContact CB-OG1 3.37Å; V105-T128 WeakPolarHBondContact CG1-OG1 3.21Å; V105-T128 HydrophobicContact CG2-CG2 4.1Å; A124-T128 WeakPolarHBondContact O-CB 3.44Å; A124-T128 PolarHBondContact O-N 2.97Å; A124-T128 PolarHBondContact O-OG1 3.01Å; T128-M131 PolarHBondContact O-N 2.99Å; T128-A132 WeakPolarHBondContact O-CB 3.38Å; T128-A132 PolarHBondContact O-N 3.44Å
129	G	66.4	Low	68	Low	12 Å²	12	41.8 Å²	41.8	12%	0.124	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-38.8	178.5	0	0	0	0	0	112.5	G125 T127 A132 V133 N189	G125-G129 WeakPolarHBondContact O-CA 3.38Å; G125-G129 PolarHBondContact O-N 2.89Å; T127-G129 VanDerWaalsContact C-N 3.33Å; T127-G129 PolarHBondContact O-N 3.31Å; G129-A132 PolarHBondContact O-N 2.92Å; G129-V133 WeakPolarHBondContact O-CB 3.49Å; G129-V133 WeakPolarHBondContact O-CG2 3.48Å; G129-V133 PolarHBondContact O-N 2.78Å; G129-N189 VanDerWaalsContact C-ND2 3.27Å; G129-N189 VanDerWaalsContact CA-ND2 3.35Å; G129-N189 WeakPolarHBondContact CA-ND2 3.27Å; G129-N189 PolarHBondContact O-ND2 3.35Å; G129-N189 VanDerWaalsContact O-ND2 3.12Å
130	G	71	Confident	68	Low	14 Å²	14	41.3 Å²	41.3	14%	0.144	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-46.3	174	0	0	0	0	0	112.2	C126 T127 V133 A134	C126-G130 PolarHBondContact O-N 3.03Å; T127-G130 PolarHBondContact O-N 3Å; G130-V133 PolarHBondContact O-N 2.87Å; G130-A134 WeakPolarHBondContact O-CB 3.11Å; G130-A134 PolarHBondContact O-N 3.44Å
131	M	69.8	Low	68	Low	102 Å²	102	39.6 Å²	39.6	50%	0.502	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-43	175.2	-72.2	179.9	73.3	0	0	112.2	L101 T127 T128 V133 A134 L135	L101-M131 HydrophobicContact CD2-CB 4.21Å; L101-M131 HydrophobicContact CD2-CE 3.72Å; L101-M131 HydrophobicContact CD2-SD 4.25Å; T127-M131 WeakPolarHBondContact O-CG 3.16Å; T127-M131 PolarHBondContact O-N 3.25Å; T128-M131 PolarHBondContact O-N 2.99Å; M131-V133 VanDerWaalsContact C-N 3.33Å; M131-V133 PolarHBondContact O-N 3.36Å; M131-A134 PolarHBondContact O-N 2.88Å; M131-L135 WeakPolarHBondContact O-CG 3.08Å; M131-L135 PolarHBondContact O-N 3.13Å
132	A	65.8	Low	68	Low	11 Å²	11	32.5 Å²	32.5	9%	0.091	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-42.2	177.4	0	0	0	0	0	111.9	V97 T128 G129 L135 A136	V97-A132 HydrophobicContact CG1-CB 3.84Å; T128-A132 WeakPolarHBondContact O-CB 3.38Å; T128-A132 PolarHBondContact O-N 3.44Å; G129-A132 PolarHBondContact O-N 2.92Å; A132-L135 PolarHBondContact O-N 3.14Å; A132-A136 VanDerWaalsContact O-CB 3.22Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 3.06Å
133	V	68.8	Low	67.9	Low	17 Å²	17	31.4 Å²	31.4	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-39.9	175.4	165.6	0	0	0	0	111.7	G129 G130 M131 L135 A136 Q137 N185 I186 N189	G129-V133 WeakPolarHBondContact O-CB 3.49Å; G129-V133 WeakPolarHBondContact O-CG2 3.48Å; G129-V133 PolarHBondContact O-N 2.78Å; G130-V133 PolarHBondContact O-N 2.87Å; M131-V133 VanDerWaalsContact C-N 3.33Å; M131-V133 PolarHBondContact O-N 3.36Å; V133-L135 VanDerWaalsContact C-N 3.3Å; V133-L135 PolarHBondContact O-N 2.78Å; V133-A136 PolarHBondContact O-N 3.32Å; V133-Q137 WeakPolarHBondContact O-CA 3.35Å; V133-Q137 VanDerWaalsContact O-CB 3.31Å; V133-Q137 WeakPolarHBondContact O-CB 3.42Å; V133-Q137 PolarHBondContact O-N 3.01Å; V133-N185 HydrophobicContact CG1-CB 3.5Å; V133-N185 VanDerWaalsContact CG1-CB 3.5Å; V133-I186 HydrophobicContact CB-CG1 4.32Å; V133-I186 HydrophobicContact CG1-CG1 3.8Å; V133-N189 HydrophobicContact CG2-CB 4.18Å; V133-N189 WeakPolarHBondContact CG2-ND2 3.07Å
134	A	70.9	Confident	67.6	Low	35 Å²	35	29.2 Å²	29.2	29%	0.289	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-37.7	178	0	0	0	0	0	112.2	G130 M131 W179	G130-A134 WeakPolarHBondContact O-CB 3.11Å; G130-A134 PolarHBondContact O-N 3.44Å; M131-A134 PolarHBondContact O-N 2.88Å; A134-W179 PolarHBondContact O-NE1 2.89Å
135	L	68.6	Low	67.6	Low	108 Å²	108	31.1 Å²	31.1	57%	0.565	19%	0.189	S	C	*	.	H	α-helix	trans	-76.8	-37.6	176.9	-67.5	173.1	0	0	0	112.8	V97 M131 A132 V133 P138	V97-L135 HydrophobicContact CG1-CD1 4.44Å; V97-L135 HydrophobicContact CG2-CD1 4.16Å; M131-L135 WeakPolarHBondContact O-CG 3.08Å; M131-L135 PolarHBondContact O-N 3.13Å; A132-L135 PolarHBondContact O-N 3.14Å; V133-L135 VanDerWaalsContact C-N 3.3Å; V133-L135 PolarHBondContact O-N 2.78Å; L135-P138 WeakPolarHBondContact O-CD 3.48Å
136	A	66.3	Low	67.5	Low	6 Å²	6	31.1 Å²	31.1	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-81.7	-15	179.8	0	0	0	0	0	113.7	A132 V133 P138 T139 D140	A132-A136 VanDerWaalsContact O-CB 3.22Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 3.06Å; V133-A136 PolarHBondContact O-N 3.32Å; A136-P138 VanDerWaalsContact C-CD 3.43Å; A136-T139 PolarHBondContact O-N 2.96Å; A136-T139 VanDerWaalsContact O-N 3.11Å; A136-D140 PolarHBondContact O-N 3.11Å; A136-D140 VanDerWaalsContact O-N 3.13Å
137	Q	70.6	Confident	66.7	Low	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-51.6	-47.1	-174.7	-165.4	65.1	-114.6	0	0	114.7	V133 T139 D140 V141 T182 N185	V133-Q137 WeakPolarHBondContact O-CA 3.35Å; V133-Q137 VanDerWaalsContact O-CB 3.31Å; V133-Q137 WeakPolarHBondContact O-CB 3.42Å; V133-Q137 PolarHBondContact O-N 3.01Å; Q137-T139 PolarHBondContact O-N 2.97Å; Q137-D140 PolarHBondContact O-N 3.13Å; Q137-D140 VanDerWaalsContact O-N 3.12Å; Q137-V141 HydrophobicContact CG-CG2 4.23Å; Q137-V141 WeakPolarHBondContact O-CG2 3.41Å; Q137-V141 PolarHBondContact O-N 3.27Å; Q137-T182 WeakPolarHBondContact CG-OG1 3.38Å; Q137-N185 VanDerWaalsContact CD-ND2 3.34Å; Q137-N185 VanDerWaalsContact NE2-CB 3.29Å; Q137-N185 VanDerWaalsContact NE2-CG 3.33Å; Q137-N185 PolarHBondContact NE2-ND2 3.45Å; Q137-N185 VanDerWaalsContact NE2-ND2 3.13Å; Q137-N185 PolarHBondContact OE1-ND2 3.4Å
138	P	64.9	Low	66.1	Low	24 Å²	24	28 Å²	28	16%	0.156	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-35.8	-176.6	-23.7	36.1	0	0	0	111.9	L135 A136 V142 Y166 L178	L135-P138 WeakPolarHBondContact O-CD 3.48Å; A136-P138 VanDerWaalsContact C-CD 3.43Å; P138-V142 WeakPolarHBondContact O-CG2 3.29Å; P138-V142 PolarHBondContact O-N 3.44Å; P138-Y166 HydrophobicContact CB-CE1 4.21Å; P138-L178 HydrophobicContact CB-CB 4.35Å; P138-L178 HydrophobicContact CB-CD2 4.12Å
139	T	67	Low	65.5	Low	9 Å²	9	28.5 Å²	28.5	6%	0.055	16%	0.163	C	C	.	.	H	α-helix	trans	-73.7	-38	178.1	-50.4	0	0	0	0	112.3	Q89 R90 A136 Q137 V142 K143 Y166	Q89-T139 HydrophobicContact CB-CG2 4.33Å; Q89-T139 HydrophobicContact CG-CG2 4.11Å; R90-T139 HydrophobicContact CB-CG2 4.06Å; A136-T139 PolarHBondContact O-N 2.96Å; A136-T139 VanDerWaalsContact O-N 3.11Å; Q137-T139 PolarHBondContact O-N 2.97Å; T139-V142 PolarHBondContact O-N 3.32Å; T139-K143 WeakPolarHBondContact O-CB 3.46Å; T139-K143 PolarHBondContact O-N 3.16Å; T139-Y166 WeakPolarHBondContact CA-OH 3.36Å; T139-Y166 WeakPolarHBondContact CB-OH 3.37Å; T139-Y166 PolarHBondContact OG1-OH 3.32Å
140	D	67.4	Low	64.7	Low	36 Å²	36	29.6 Å²	29.6	19%	0.193	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-42.5	176.3	-75.2	-23.5	0	0	0	111.7	R90 A136 Q137 K143 V144	R90-D140 WeakPolarHBondContact CD-OD1 3.5Å; R90-D140 WeakPolarHBondContact CG-OD1 3.24Å; A136-D140 PolarHBondContact O-N 3.11Å; A136-D140 VanDerWaalsContact O-N 3.13Å; Q137-D140 PolarHBondContact O-N 3.13Å; Q137-D140 VanDerWaalsContact O-N 3.12Å; D140-K143 PolarHBondContact O-N 3.47Å; D140-V144 WeakPolarHBondContact O-CG2 3.48Å; D140-V144 PolarHBondContact O-N 3.31Å
141	V	67	Low	63.4	Low	4 Å²	4	34.9 Å²	34.9	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-45.3	177.2	173.5	0	0	0	0	111	Q137 V144 R145 K180 M246	Q137-V141 HydrophobicContact CG-CG2 4.23Å; Q137-V141 WeakPolarHBondContact O-CG2 3.41Å; Q137-V141 PolarHBondContact O-N 3.27Å; V141-V144 PolarHBondContact O-N 2.9Å; V141-R145 WeakPolarHBondContact O-CB 2.82Å; V141-R145 WeakPolarHBondContact O-CG 3.16Å; V141-R145 PolarHBondContact O-N 3.5Å; V141-K180 WeakPolarHBondContact CG2-O 3.3Å; V141-M246 HydrophobicContact CG2-CE 4.13Å
142	V	66.1	Low	62	Low	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-43.5	177.4	172.4	0	0	0	0	111.3	P138 T139 R145 F146 T162 A165 Y166 I169	P138-V142 WeakPolarHBondContact O-CG2 3.29Å; P138-V142 PolarHBondContact O-N 3.44Å; T139-V142 PolarHBondContact O-N 3.32Å; V142-R145 PolarHBondContact O-N 2.85Å; V142-F146 WeakPolarHBondContact O-CB 2.95Å; V142-F146 PolarHBondContact O-N 2.99Å; V142-T162 HydrophobicContact CG1-CG2 3.83Å; V142-A165 HydrophobicContact CG1-CB 3.97Å; V142-Y166 HydrophobicContact CB-CE1 4.4Å; V142-Y166 HydrophobicContact CB-CE2 4.28Å; V142-Y166 HydrophobicContact CG1-CD2 4.26Å; V142-Y166 HydrophobicContact CG1-CE2 4.1Å; V142-Y166 HydrophobicContact CG2-CD1 3.6Å; V142-Y166 HydrophobicContact CG2-CD2 4.09Å; V142-Y166 HydrophobicContact CG2-CE1 3.54Å; V142-Y166 HydrophobicContact CG2-CE2 4.04Å; V142-Y166 HydrophobicContact CG2-CG 3.87Å; V142-I169 HydrophobicContact CG2-CD1 4.04Å
143	K	66.3	Low	60.8	Low	18 Å²	18	39 Å²	39	8%	0.078	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-48.5	178.2	-174	-178.2	175.9	-174.6	0	111.4	A86 T139 D140 F146 Q147	A86-K143 HydrophobicContact CB-CB 4.05Å; A86-K143 HydrophobicContact CB-CG 4.25Å; T139-K143 WeakPolarHBondContact O-CB 3.46Å; T139-K143 PolarHBondContact O-N 3.16Å; D140-K143 PolarHBondContact O-N 3.47Å; K143-F146 PolarHBondContact O-N 2.8Å; K143-Q147 WeakPolarHBondContact O-CB 3.29Å; K143-Q147 WeakPolarHBondContact O-CG 3.39Å; K143-Q147 PolarHBondContact O-N 3.3Å
144	V	64.3	Low	59.5	Low	53 Å²	53	47.3 Å²	47.3	32%	0.321	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-44.7	-179	172.7	0	0	0	0	111	D140 V141 Q147 A148	D140-V144 WeakPolarHBondContact O-CG2 3.48Å; D140-V144 PolarHBondContact O-N 3.31Å; V141-V144 PolarHBondContact O-N 2.9Å; V144-Q147 PolarHBondContact O-N 3.48Å; V144-A148 WeakPolarHBondContact O-CB 3.44Å; V144-A148 PolarHBondContact O-N 2.57Å
145	R	65.9	Low	57.9	Low	52 Å²	52	56.5 Å²	56.5	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-39.5	178.8	-71.6	-171.4	179.8	-161.8	3.8	112.6	V141 V142 A148 Q149 E173	V141-R145 WeakPolarHBondContact O-CB 2.82Å; V141-R145 WeakPolarHBondContact O-CG 3.16Å; V141-R145 PolarHBondContact O-N 3.5Å; V142-R145 PolarHBondContact O-N 2.85Å; R145-A148 PolarHBondContact O-N 3.29Å; R145-Q149 WeakPolarHBondContact O-CB 3.47Å; R145-Q149 PolarHBondContact O-N 3.11Å; R145-E173 IonicContact CZ-OE1 2.72Å; R145-E173 IonicContact CZ-OE2 2.86Å; R145-E173 IonicContact NH1-OE1 2.63Å; R145-E173 PolarHBondContact NH1-OE1 3.16Å; R145-E173 IonicContact NH1-OE2 2.77Å; R145-E173 PolarHBondContact NH1-OE2 2.83Å; R145-E173 IonicContact NH2-OE1 3.36Å; R145-E173 PolarHBondContact NH2-OE1 2.99Å; R145-E173 IonicContact NH2-OE2 3.2Å; R145-E173 PolarHBondContact NH2-OE2 2.96Å
146	F	63.3	Low	56.7	Low	31 Å²	31	53.7 Å²	53.7	14%	0.136	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-42.3	176.3	-163.2	-95.5	0	0	0	111.6	S82 V142 K143 A148 Q149	S82-F146 WeakPolarHBondContact OG-CE1 3.24Å; V142-F146 WeakPolarHBondContact O-CB 2.95Å; V142-F146 PolarHBondContact O-N 2.99Å; K143-F146 PolarHBondContact O-N 2.8Å; F146-A148 PolarHBondContact O-N 2.97Å; F146-Q149 WeakPolarHBondContact O-CB 3.34Å; F146-Q149 PolarHBondContact O-N 2.73Å
147	Q	53.4	Low	55.9	Low	11 Å²	11	63.5 Å²	63.5	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-67.2	-34	175	-72.9	-178	-17.8	0	0	112.7	V39 R40 K143 V144	V39-Q147 HydrophobicContact CG1-CB 4.46Å; R40-Q147 PolarHBondContact NH1-O 2.87Å; R40-Q147 VanDerWaalsContact NH1-O 3.12Å; R40-Q147 PolarHBondContact NH2-O 2.83Å; K143-Q147 WeakPolarHBondContact O-CB 3.29Å; K143-Q147 WeakPolarHBondContact O-CG 3.39Å; K143-Q147 PolarHBondContact O-N 3.3Å; V144-Q147 PolarHBondContact O-N 3.48Å
148	A	56.3	Low	55	Low	23 Å²	23	70.4 Å²	70.4	19%	0.19	34%	0.335	C	S	.	.	H	α-helix	trans	-68.8	-36.1	174.4	0	0	0	0	0	112.2	R40 V144 R145 F146 A150 R151	R40-A148 PolarHBondContact NH1-O 3.49Å; V144-A148 WeakPolarHBondContact O-CB 3.44Å; V144-A148 PolarHBondContact O-N 2.57Å; R145-A148 PolarHBondContact O-N 3.29Å; F146-A148 PolarHBondContact O-N 2.97Å; A148-A150 PolarHBondContact O-N 3.01Å; A148-R151 PolarHBondContact O-N 3.44Å
149	Q	54.6	Low	54.4	Low	31 Å²	31	70.5 Å²	70.5	15%	0.145	33%	0.332	C	S	.	.	H	α-helix	trans	-66.1	-26.6	-170.8	-170.9	-169.8	11	0	0	115.9	R145 F146 R151 S152 R158 Y159	R145-Q149 WeakPolarHBondContact O-CB 3.47Å; R145-Q149 PolarHBondContact O-N 3.11Å; F146-Q149 WeakPolarHBondContact O-CB 3.34Å; F146-Q149 PolarHBondContact O-N 2.73Å; Q149-R151 PolarHBondContact O-N 3.46Å; Q149-S152 PolarHBondContact O-N 3.44Å; Q149-R158 VanDerWaalsContact NE2-CB 3.26Å; Q149-Y159 HydrophobicContact CG-CD2 4.44Å
150	A	51.1	Low	53.7	Low	35 Å²	35	75.4 Å²	75.4	29%	0.289	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	5.4	-179.3	0	0	0	0	0	114	A148	A148-A150 PolarHBondContact O-N 3.01Å
151	R	44.1	Very low	53.3	Low	125 Å²	125	74.9 Å²	74.9	47%	0.472	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.8	168.5	-144.3	-178.8	177.7	-164.1	-4.9	114.6	A148 Q149	A148-R151 PolarHBondContact O-N 3.44Å; Q149-R151 PolarHBondContact O-N 3.46Å
152	S	40.3	Very low	52.9	Low	61 Å²	61	75.6 Å²	75.6	43%	0.427	37%	0.373	S	S	.	.	S	Bend	trans	-83.9	124.3	176	-179.4	0	0	0	0	108.7	Q149 A156	Q149-S152 PolarHBondContact O-N 3.44Å; S152-A156 PolarHBondContact OG-O 3.48Å
153	N	39.6	Very low	52.8	Low	138 Å²	138	82.5 Å²	82.5	74%	0.738	41%	0.408	S	S	*	.			trans	-30.7	147.7	178.2	-101.7	-8	0	0	0	114.3	Y155 A156	N153-Y155 PolarHBondContact O-N 2.85Å; N153-A156 PolarHBondContact O-N 2.86Å
154	E	41.3	Very low	52.8	Low	193 Å²	193	84.6 Å²	84.6	90%	0.902	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.1	-21.8	174.2	-128.5	173.9	164	0	0	115.1
155	Y	38.3	Very low	52.8	Low	227 Å²	227	82.1 Å²	82.1	89%	0.89	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.2	178.4	-91.4	-96.4	0	0	0	116.1	N153	N153-Y155 PolarHBondContact O-N 2.85Å
156	A	42.4	Very low	52.9	Low	50 Å²	50	81.9 Å²	81.9	41%	0.413	41%	0.405	S	S	.	.			trans	-142.1	63.9	-178	0	0	0	0	0	111.8	S152 N153 R158	S152-A156 PolarHBondContact OG-O 3.48Å; N153-A156 PolarHBondContact O-N 2.86Å; A156-R158 PolarHBondContact O-N 3.37Å
157	R	49.5	Very low	53.1	Low	211 Å²	211	87.7 Å²	87.7	80%	0.796	43%	0.43	S	S	*	.			trans	-63	86.7	156	-82.1	-174.6	173.2	159.1	0.5	108.4	Y159	R157-Y159 PolarHBondContact O-N 2.94Å
158	R	51.1	Low	53.8	Low	146 Å²	146	88.4 Å²	88.4	55%	0.551	44%	0.435	S	S	*	.	S	Bend	trans	-57	-13.3	178.2	-165.9	136.6	177.1	91.1	-1	115.4	Q149 A156 E172	Q149-R158 VanDerWaalsContact NE2-CB 3.26Å; A156-R158 PolarHBondContact O-N 3.37Å; R158-E172 IonicContact CZ-OE1 3.44Å; R158-E172 IonicContact CZ-OE2 3.64Å; R158-E172 IonicContact NE-OE2 3.83Å; R158-E172 IonicContact NH1-OE1 3.97Å; R158-E172 IonicContact NH2-OE1 2.69Å; R158-E172 PolarHBondContact NH2-OE1 3.39Å; R158-E172 IonicContact NH2-OE2 2.7Å; R158-E172 PolarHBondContact NH2-OE2 3.38Å
159	Y	52.4	Low	54.5	Low	26 Å²	26	87.4 Å²	87.4	10%	0.102	43%	0.427	C	S	.	.			trans	-147.6	120.6	-177.8	-52.4	-51.6	0	0	0	107.9	Q149 R157 A165 T168	Q149-Y159 HydrophobicContact CG-CD2 4.44Å; R157-Y159 PolarHBondContact O-N 2.94Å; Y159-A165 HydrophobicContact CD1-CB 4.1Å; Y159-A165 HydrophobicContact CD2-CB 4Å; Y159-A165 HydrophobicContact CG-CB 3.75Å; Y159-T168 HydrophobicContact CD1-CG2 4.15Å; Y159-T168 VanDerWaalsContact CE1-CB 3.44Å; Y159-T168 HydrophobicContact CE1-CG2 3.53Å
160	C	52.9	Low	55.2	Low	112 Å²	112	88 Å²	88	76%	0.757	44%	0.436	S	S	*	.	S	Bend	trans	-88.1	-8.6	-179.3	-122.7	0	0	0	0	112.8	D164	C160-D164 PolarHBondContact N-OD2 3.39Å
161	G	59.2	Low	56.2	Low	24 Å²	24	95 Å²	95	25%	0.247	46%	0.46	C	S	.	.	S	Bend	trans	-171.1	171.4	177.2	0	0	0	0	0	113.1	I163 D164 A165	G161-I163 VanDerWaalsContact C-N 3.29Å; G161-I163 PolarHBondContact O-N 3.12Å; G161-D164 WeakPolarHBondContact O-CB 3.49Å; G161-D164 PolarHBondContact O-N 2.89Å; G161-D164 VanDerWaalsContact O-N 3.14Å; G161-A165 PolarHBondContact O-N 3.31Å
162	T	58.8	Low	57.6	Low	20 Å²	20	94 Å²	94	12%	0.123	46%	0.461	C	S	.	.	H	α-helix	trans	-58.9	-40.8	-178.7	-47.7	0	0	0	0	111.9	A86 V142 A165 Y166	A86-T162 HydrophobicContact CB-CG2 4.03Å; V142-T162 HydrophobicContact CG1-CG2 3.83Å; T162-A165 WeakPolarHBondContact O-CB 3.33Å; T162-A165 PolarHBondContact O-N 3.2Å; T162-Y166 HydrophobicContact CG2-CD2 4.18Å; T162-Y166 HydrophobicContact CG2-CE2 3.85Å; T162-Y166 WeakPolarHBondContact O-CD2 3.19Å; T162-Y166 PolarHBondContact O-N 3.46Å
163	I	64.1	Low	58.8	Low	146 Å²	146	94.1 Å²	94.1	75%	0.749	46%	0.455	S	S	*	.	H	α-helix	trans	-68.4	-36.8	178.2	-59.6	170.4	0	0	0	111.2	G161 Y166 K167	G161-I163 VanDerWaalsContact C-N 3.29Å; G161-I163 PolarHBondContact O-N 3.12Å; I163-Y166 PolarHBondContact O-N 2.83Å; I163-K167 WeakPolarHBondContact O-CB 3.46Å; I163-K167 PolarHBondContact O-N 2.97Å
164	D	65.8	Low	60.3	Low	62 Å²	62	88.9 Å²	88.9	33%	0.332	43%	0.434	S	S	.	.	H	α-helix	trans	-69.5	-35.8	176.7	-165.4	29	0	0	0	111.4	C160 G161 K167 T168	C160-D164 PolarHBondContact N-OD2 3.39Å; G161-D164 WeakPolarHBondContact O-CB 3.49Å; G161-D164 PolarHBondContact O-N 2.89Å; G161-D164 VanDerWaalsContact O-N 3.14Å; D164-K167 PolarHBondContact O-N 3.24Å; D164-T168 VanDerWaalsContact O-CB 3.27Å; D164-T168 WeakPolarHBondContact O-CB 3.33Å; D164-T168 PolarHBondContact O-N 2.84Å; D164-T168 PolarHBondContact O-OG1 2.98Å
165	A	64.7	Low	61.6	Low	1 Å²	1	85.4 Å²	85.4	1%	0.008	42%	0.42	C	S	.	.	H	α-helix	trans	-63.5	-46.6	170.3	0	0	0	0	0	111.8	V142 Y159 G161 T162 K167 T168 I169	V142-A165 HydrophobicContact CG1-CB 3.97Å; Y159-A165 HydrophobicContact CD1-CB 4.1Å; Y159-A165 HydrophobicContact CD2-CB 4Å; Y159-A165 HydrophobicContact CG-CB 3.75Å; G161-A165 PolarHBondContact O-N 3.31Å; T162-A165 WeakPolarHBondContact O-CB 3.33Å; T162-A165 PolarHBondContact O-N 3.2Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 3.31Å; A165-T168 PolarHBondContact O-N 3.13Å; A165-I169 VanDerWaalsContact O-CB 3.32Å; A165-I169 WeakPolarHBondContact O-CB 3.33Å; A165-I169 VanDerWaalsContact O-CD1 3.3Å; A165-I169 WeakPolarHBondContact O-CD1 3.49Å; A165-I169 WeakPolarHBondContact O-CG1 3.4Å; A165-I169 PolarHBondContact O-N 3Å
166	Y	66.6	Low	62.9	Low	47 Å²	47	82.5 Å²	82.5	18%	0.184	41%	0.414	C	S	.	.	H	α-helix	trans	-56.1	-48.3	174.1	-84.7	-75.6	0	0	0	111.8	P138 T139 V142 T162 I163 A170 L178	P138-Y166 HydrophobicContact CB-CE1 4.21Å; T139-Y166 WeakPolarHBondContact CA-OH 3.36Å; T139-Y166 WeakPolarHBondContact CB-OH 3.37Å; T139-Y166 PolarHBondContact OG1-OH 3.32Å; V142-Y166 HydrophobicContact CB-CE1 4.4Å; V142-Y166 HydrophobicContact CB-CE2 4.28Å; V142-Y166 HydrophobicContact CG1-CD2 4.26Å; V142-Y166 HydrophobicContact CG1-CE2 4.1Å; V142-Y166 HydrophobicContact CG2-CD1 3.6Å; V142-Y166 HydrophobicContact CG2-CD2 4.09Å; V142-Y166 HydrophobicContact CG2-CE1 3.54Å; V142-Y166 HydrophobicContact CG2-CE2 4.04Å; V142-Y166 HydrophobicContact CG2-CG 3.87Å; T162-Y166 HydrophobicContact CG2-CD2 4.18Å; T162-Y166 HydrophobicContact CG2-CE2 3.85Å; T162-Y166 WeakPolarHBondContact O-CD2 3.19Å; T162-Y166 PolarHBondContact O-N 3.46Å; I163-Y166 PolarHBondContact O-N 2.83Å; Y166-A170 WeakPolarHBondContact O-CB 3.5Å; Y166-A170 PolarHBondContact O-N 3.04Å; Y166-L178 HydrophobicContact CD1-CD2 3.92Å; Y166-L178 HydrophobicContact CE1-CD2 4.35Å
167	K	69.4	Low	64.1	Low	153 Å²	153	80.3 Å²	80.3	67%	0.665	40%	0.396	S	S	*	.	H	α-helix	trans	-66.8	-41.4	-176.5	-167.7	176.3	-176.7	179.2	0	112.2	I163 D164 A165 K171	I163-K167 WeakPolarHBondContact O-CB 3.46Å; I163-K167 PolarHBondContact O-N 2.97Å; D164-K167 PolarHBondContact O-N 3.24Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 3.31Å; K167-K171 VanDerWaalsContact O-CB 3.26Å; K167-K171 WeakPolarHBondContact O-CB 3.39Å; K167-K171 PolarHBondContact O-N 2.82Å
168	T	68.2	Low	64.9	Low	26 Å²	26	71.5 Å²	71.5	16%	0.16	37%	0.365	C	S	.	.	H	α-helix	trans	-73.6	-40	-178.1	-52.2	0	0	0	0	111.1	Y159 D164 A165 K171 E172	Y159-T168 HydrophobicContact CD1-CG2 4.15Å; Y159-T168 VanDerWaalsContact CE1-CB 3.44Å; Y159-T168 HydrophobicContact CE1-CG2 3.53Å; D164-T168 VanDerWaalsContact O-CB 3.27Å; D164-T168 WeakPolarHBondContact O-CB 3.33Å; D164-T168 PolarHBondContact O-N 2.84Å; D164-T168 PolarHBondContact O-OG1 2.98Å; A165-T168 PolarHBondContact O-N 3.13Å; T168-K171 PolarHBondContact O-N 3.34Å; T168-E172 HydrophobicContact CG2-CG 4.18Å; T168-E172 WeakPolarHBondContact O-CB 3.31Å; T168-E172 WeakPolarHBondContact O-CG 3.47Å; T168-E172 PolarHBondContact O-N 3.01Å
169	I	69.3	Low	65.8	Low	2 Å²	2	70.6 Å²	70.6	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-44.3	173.8	-65.4	163.3	0	0	0	110.5	V142 A165 K171 E172 E173 L178	V142-I169 HydrophobicContact CG2-CD1 4.04Å; A165-I169 VanDerWaalsContact O-CB 3.32Å; A165-I169 WeakPolarHBondContact O-CB 3.33Å; A165-I169 VanDerWaalsContact O-CD1 3.3Å; A165-I169 WeakPolarHBondContact O-CD1 3.49Å; A165-I169 WeakPolarHBondContact O-CG1 3.4Å; A165-I169 PolarHBondContact O-N 3Å; I169-K171 VanDerWaalsContact C-N 3.26Å; I169-K171 PolarHBondContact O-N 3.36Å; I169-E172 PolarHBondContact O-N 3Å; I169-E173 PolarHBondContact O-N 3.07Å; I169-L178 HydrophobicContact CG2-CD1 3.87Å; I169-L178 HydrophobicContact CG2-CG 4.28Å
170	A	70.1	Confident	66.4	Low	42 Å²	42	71.6 Å²	71.6	35%	0.347	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-32.6	177.1	0	0	0	0	0	112.6	Y166 G174 L178	Y166-A170 WeakPolarHBondContact O-CB 3.5Å; Y166-A170 PolarHBondContact O-N 3.04Å; A170-G174 WeakPolarHBondContact O-CA 3.38Å; A170-G174 PolarHBondContact O-N 2.99Å; A170-L178 HydrophobicContact CB-CD1 3.93Å
171	K	72.9	Confident	66.9	Low	183 Å²	183	66.6 Å²	66.6	80%	0.796	33%	0.334	S	S	*	.	H	α-helix	trans	-80.9	-35.3	179.6	-168.7	177.2	178.8	-174.5	0	113.1	K167 T168 I169	K167-K171 VanDerWaalsContact O-CB 3.26Å; K167-K171 WeakPolarHBondContact O-CB 3.39Å; K167-K171 PolarHBondContact O-N 2.82Å; T168-K171 PolarHBondContact O-N 3.34Å; I169-K171 VanDerWaalsContact C-N 3.26Å; I169-K171 PolarHBondContact O-N 3.36Å
172	E	72.5	Confident	67.3	Low	103 Å²	103	66.8 Å²	66.8	48%	0.481	33%	0.33	S	S	.	.	H	α-helix	trans	-91	-37.8	-175.1	-67.6	-174	173.4	0	0	113.5	R158 T168 I169	R158-E172 IonicContact CZ-OE1 3.44Å; R158-E172 IonicContact CZ-OE2 3.64Å; R158-E172 IonicContact NE-OE2 3.83Å; R158-E172 IonicContact NH1-OE1 3.97Å; R158-E172 IonicContact NH2-OE1 2.69Å; R158-E172 PolarHBondContact NH2-OE1 3.39Å; R158-E172 IonicContact NH2-OE2 2.7Å; R158-E172 PolarHBondContact NH2-OE2 3.38Å; T168-E172 HydrophobicContact CG2-CG 4.18Å; T168-E172 WeakPolarHBondContact O-CB 3.31Å; T168-E172 WeakPolarHBondContact O-CG 3.47Å; T168-E172 PolarHBondContact O-N 3.01Å; I169-E172 PolarHBondContact O-N 3Å
173	E	65.9	Low	67.9	Low	64 Å²	64	68.1 Å²	68.1	30%	0.299	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-2	-177.3	-66.1	-175.9	-175.3	0	0	113.2	R145 I169 G177 L250	R145-E173 IonicContact CZ-OE1 2.72Å; R145-E173 IonicContact CZ-OE2 2.86Å; R145-E173 IonicContact NH1-OE1 2.63Å; R145-E173 PolarHBondContact NH1-OE1 3.16Å; R145-E173 IonicContact NH1-OE2 2.77Å; R145-E173 PolarHBondContact NH1-OE2 2.83Å; R145-E173 IonicContact NH2-OE1 3.36Å; R145-E173 PolarHBondContact NH2-OE1 2.99Å; R145-E173 IonicContact NH2-OE2 3.2Å; R145-E173 PolarHBondContact NH2-OE2 2.96Å; I169-E173 PolarHBondContact O-N 3.07Å; E173-G177 PolarHBondContact O-N 3.05Å; E173-L250 HydrophobicContact CG-CD1 4.4Å
174	G	71.1	Confident	68	Low	29 Å²	29	62 Å²	62	30%	0.299	32%	0.318	S	S	.	.	H	α-helix	trans	71.2	-178.5	-176.8	0	0	0	0	0	113.4	A170 H176 G177	A170-G174 WeakPolarHBondContact O-CA 3.38Å; A170-G174 PolarHBondContact O-N 2.99Å; G174-H176 PolarHBondContact O-N 3.48Å; G174-G177 PolarHBondContact O-N 2.95Å
175	I	69.1	Low	68.3	Low	120 Å²	120	59.4 Å²	59.4	62%	0.615	30%	0.304	S	S	*	.	H	α-helix	trans	-60.5	-30.8	177.9	-67.6	171.9	0	0	0	111.5	G177 L178 W179	I175-G177 VanDerWaalsContact C-N 3.27Å; I175-G177 PolarHBondContact O-N 3.21Å; I175-L178 PolarHBondContact O-N 3.48Å; I175-W179 HydrophobicContact CG2-CE3 3.6Å; I175-W179 HydrophobicContact CG2-CH2 3.97Å; I175-W179 HydrophobicContact CG2-CZ3 3.06Å
176	H	65.7	Low	68.6	Low	165 Å²	165	62.5 Å²	62.5	76%	0.764	32%	0.32	S	S	*	.	H	α-helix	trans	-68	-26.9	176.7	-142.2	80.9	0	0	0	112.6	G174 L178 W179 K180	G174-H176 PolarHBondContact O-N 3.48Å; H176-L178 VanDerWaalsContact C-N 3.34Å; H176-W179 PolarHBondContact O-N 2.97Å; H176-K180 PolarHBondContact O-N 3.45Å; H176-K180 VanDerWaalsContact O-N 3.1Å
177	G	66	Low	68.9	Low	4 Å²	4	62.6 Å²	62.6	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-34.2	173	0	0	0	0	0	113.4	E173 G174 I175 W179 K180	E173-G177 PolarHBondContact O-N 3.05Å; G174-G177 PolarHBondContact O-N 2.95Å; I175-G177 VanDerWaalsContact C-N 3.27Å; I175-G177 PolarHBondContact O-N 3.21Å; G177-W179 VanDerWaalsContact C-N 3.34Å; G177-K180 VanDerWaalsContact O-CB 3.29Å; G177-K180 WeakPolarHBondContact O-CB 3.45Å; G177-K180 PolarHBondContact O-N 2.91Å
178	L	67.6	Low	69.1	Low	26 Å²	26	58.4 Å²	58.4	14%	0.136	31%	0.31	C	S	.	.	H	α-helix	trans	-72.6	-26.9	177.5	-77.7	83.7	0	0	0	112.8	P138 Y166 I169 A170 I175 H176	P138-L178 HydrophobicContact CB-CB 4.35Å; P138-L178 HydrophobicContact CB-CD2 4.12Å; Y166-L178 HydrophobicContact CD1-CD2 3.92Å; Y166-L178 HydrophobicContact CE1-CD2 4.35Å; I169-L178 HydrophobicContact CG2-CD1 3.87Å; I169-L178 HydrophobicContact CG2-CG 4.28Å; A170-L178 HydrophobicContact CB-CD1 3.93Å; I175-L178 PolarHBondContact O-N 3.48Å; H176-L178 VanDerWaalsContact C-N 3.34Å
179	W	70.4	Confident	69.3	Low	128 Å²	128	59.1 Å²	59.1	49%	0.485	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	2.5	174.1	-77.1	-62.5	0	0	0	113.7	A134 I175 H176 G177 G181 T182	A134-W179 PolarHBondContact O-NE1 2.89Å; I175-W179 HydrophobicContact CG2-CE3 3.6Å; I175-W179 HydrophobicContact CG2-CH2 3.97Å; I175-W179 HydrophobicContact CG2-CZ3 3.06Å; H176-W179 PolarHBondContact O-N 2.97Å; G177-W179 VanDerWaalsContact C-N 3.34Å; W179-G181 PolarHBondContact O-N 3.42Å; W179-G181 VanDerWaalsContact O-N 3.13Å; W179-T182 WeakPolarHBondContact O-CB 3.44Å; W179-T182 PolarHBondContact O-N 3.4Å; W179-T182 PolarHBondContact O-OG1 2.93Å
180	K	63.6	Low	69.4	Low	47 Å²	47	60.7 Å²	60.7	20%	0.204	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	117.4	177	-166.5	-179.3	177.2	-163.9	0	109.4	V141 H176 G177 L250	V141-K180 WeakPolarHBondContact CG2-O 3.3Å; H176-K180 PolarHBondContact O-N 3.45Å; H176-K180 VanDerWaalsContact O-N 3.1Å; G177-K180 VanDerWaalsContact O-CB 3.29Å; G177-K180 WeakPolarHBondContact O-CB 3.45Å; G177-K180 PolarHBondContact O-N 2.91Å; K180-L250 HydrophobicContact CD-CD2 4.11Å; K180-L250 VanDerWaalsContact NZ-CG 3.35Å
181	G	63.3	Low	69.6	Low	7 Å²	7	61.9 Å²	61.9	7%	0.072	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	1.2	-174.5	0	0	0	0	0	114.8	W179 P184 N185	W179-G181 PolarHBondContact O-N 3.42Å; W179-G181 VanDerWaalsContact O-N 3.13Å; G181-P184 WeakPolarHBondContact O-CD 3.37Å; G181-N185 WeakPolarHBondContact O-CB 3.21Å; G181-N185 PolarHBondContact O-N 3.42Å; G181-N185 PolarHBondContact O-ND2 3.39Å
182	T	68.8	Low	69.6	Low	27 Å²	27	54.6 Å²	54.6	17%	0.166	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-51.2	175	-54.6	0	0	0	0	112.6	Q137 W179 N185 I186	Q137-T182 WeakPolarHBondContact CG-OG1 3.38Å; W179-T182 WeakPolarHBondContact O-CB 3.44Å; W179-T182 PolarHBondContact O-N 3.4Å; W179-T182 PolarHBondContact O-OG1 2.93Å; T182-N185 WeakPolarHBondContact O-CB 3.24Å; T182-N185 PolarHBondContact O-N 2.94Å; T182-I186 HydrophobicContact CG2-CD1 3.64Å; T182-I186 HydrophobicContact CG2-CG1 4.23Å; T182-I186 WeakPolarHBondContact O-CG1 3.45Å; T182-I186 PolarHBondContact O-N 3.35Å
183	G	70.4	Confident	69.6	Low	48 Å²	48	52.1 Å²	52.1	50%	0.495	29%	0.287	S	S	.	.	H	α-helix	trans	-55.8	-54.7	177.6	0	0	0	0	0	113.5	N185 I186 A187	G183-N185 VanDerWaalsContact C-N 3.29Å; G183-N185 PolarHBondContact O-N 2.92Å; G183-I186 PolarHBondContact O-N 3.37Å; G183-A187 WeakPolarHBondContact O-CB 3.47Å; G183-A187 PolarHBondContact O-N 3.5Å
184	P	67.2	Low	69.8	Low	17 Å²	17	51.3 Å²	51.3	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-56.6	-37.8	174.9	-23	26.9	0	0	0	114.1	G181 R188 K242 Y245 V256	G181-P184 WeakPolarHBondContact O-CD 3.37Å; P184-R188 WeakPolarHBondContact O-CB 3.28Å; P184-R188 PolarHBondContact O-N 2.95Å; P184-K242 HydrophobicContact CB-CG 4.24Å; P184-Y245 HydrophobicContact CB-CD1 4.43Å; P184-Y245 HydrophobicContact CG-CD1 3.54Å; P184-Y245 HydrophobicContact CG-CE1 3.63Å; P184-V256 HydrophobicContact CB-CG2 4.26Å; P184-V256 HydrophobicContact CG-CG2 3.73Å
185	N	70.6	Confident	69.9	Low	9 Å²	9	50.8 Å²	50.8	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-44.3	176.8	-89.5	-75.3	0	0	0	112.7	V133 Q137 G181 T182 G183 R188 N189 K242	V133-N185 HydrophobicContact CG1-CB 3.5Å; V133-N185 VanDerWaalsContact CG1-CB 3.5Å; Q137-N185 VanDerWaalsContact CD-ND2 3.34Å; Q137-N185 VanDerWaalsContact NE2-CB 3.29Å; Q137-N185 VanDerWaalsContact NE2-CG 3.33Å; Q137-N185 PolarHBondContact NE2-ND2 3.45Å; Q137-N185 VanDerWaalsContact NE2-ND2 3.13Å; Q137-N185 PolarHBondContact OE1-ND2 3.4Å; G181-N185 WeakPolarHBondContact O-CB 3.21Å; G181-N185 PolarHBondContact O-N 3.42Å; G181-N185 PolarHBondContact O-ND2 3.39Å; T182-N185 WeakPolarHBondContact O-CB 3.24Å; T182-N185 PolarHBondContact O-N 2.94Å; G183-N185 VanDerWaalsContact C-N 3.29Å; G183-N185 PolarHBondContact O-N 2.92Å; N185-R188 PolarHBondContact O-N 3.43Å; N185-N189 WeakPolarHBondContact O-CB 3.28Å; N185-N189 PolarHBondContact O-N 2.89Å; N185-K242 WeakPolarHBondContact OD1-CE 3.44Å; N185-K242 PolarHBondContact OD1-NZ 3.18Å
186	I	72.2	Confident	69.8	Low	66 Å²	66	49.8 Å²	49.8	34%	0.338	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-45.2	177.1	-68.2	173.8	0	0	0	109.7	V133 T182 G183 R188 N189 A190	V133-I186 HydrophobicContact CB-CG1 4.32Å; V133-I186 HydrophobicContact CG1-CG1 3.8Å; T182-I186 HydrophobicContact CG2-CD1 3.64Å; T182-I186 HydrophobicContact CG2-CG1 4.23Å; T182-I186 WeakPolarHBondContact O-CG1 3.45Å; T182-I186 PolarHBondContact O-N 3.35Å; G183-I186 PolarHBondContact O-N 3.37Å; I186-R188 PolarHBondContact O-N 3.05Å; I186-N189 PolarHBondContact O-N 3.24Å; I186-N189 VanDerWaalsContact O-N 3.17Å; I186-A190 PolarHBondContact O-N 3.43Å
187	A	72.3	Confident	70	Confident	49 Å²	49	44.3 Å²	44.3	41%	0.405	25%	0.248	S	C	.	.	H	α-helix	trans	-60.3	-45.5	177	0	0	0	0	0	111.9	G183 N189 A190 I191	G183-A187 WeakPolarHBondContact O-CB 3.47Å; G183-A187 PolarHBondContact O-N 3.5Å; A187-N189 VanDerWaalsContact C-N 3.35Å; A187-N189 PolarHBondContact O-N 2.65Å; A187-A190 PolarHBondContact O-N 2.87Å; A187-I191 VanDerWaalsContact O-CG1 3.29Å; A187-I191 WeakPolarHBondContact O-CG1 3.38Å; A187-I191 PolarHBondContact O-N 3.39Å
188	R	74	Confident	70.4	Confident	65 Å²	65	47.6 Å²	47.6	25%	0.245	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-49.7	172.5	176.2	-158.6	162.5	142.4	7.6	111	P184 N185 I186 A190 I191 V192 V238 D239 K242	P184-R188 WeakPolarHBondContact O-CB 3.28Å; P184-R188 PolarHBondContact O-N 2.95Å; N185-R188 PolarHBondContact O-N 3.43Å; I186-R188 PolarHBondContact O-N 3.05Å; R188-A190 VanDerWaalsContact C-N 3.28Å; R188-A190 PolarHBondContact O-N 3.46Å; R188-I191 PolarHBondContact O-N 3.37Å; R188-V192 HydrophobicContact CG-CG2 4.19Å; R188-V192 VanDerWaalsContact O-CG2 3.31Å; R188-V192 WeakPolarHBondContact O-CG2 3.41Å; R188-V192 PolarHBondContact O-N 3.47Å; R188-V238 HydrophobicContact CB-CG1 3.96Å; R188-V238 HydrophobicContact CG-CG1 4.11Å; R188-D239 VanDerWaalsContact CD-OD1 3.24Å; R188-D239 WeakPolarHBondContact CD-OD1 3.28Å; R188-D239 VanDerWaalsContact CZ-CG 3.41Å; R188-D239 IonicContact CZ-OD1 2.85Å; R188-D239 IonicContact CZ-OD2 3.44Å; R188-D239 VanDerWaalsContact CZ-OD2 3.32Å; R188-D239 IonicContact NE-OD1 3.42Å; R188-D239 PolarHBondContact NE-OD1 2.96Å; R188-D239 IonicContact NH1-OD1 3.32Å; R188-D239 PolarHBondContact NH1-OD1 3.46Å; R188-D239 IonicContact NH1-OD2 3.4Å; R188-D239 PolarHBondContact NH1-OD2 3.29Å; R188-D239 IonicContact NH2-OD1 3.51Å; R188-D239 PolarHBondContact NH2-OD1 2.97Å; R188-D239 VanDerWaalsContact NH2-OD1 3.12Å; R188-D239 IonicContact NH2-OD2 2.78Å; R188-D239 PolarHBondContact NH2-OD2 2.92Å; R188-K242 HydrophobicContact CB-CD 4.35Å
189	N	72.1	Confident	70.5	Confident	40 Å²	40	47.2 Å²	47.2	21%	0.214	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-40	-176.7	-162.1	21.6	0	0	0	111.1	G129 V133 N185 I186 A187 N193	G129-N189 VanDerWaalsContact C-ND2 3.27Å; G129-N189 VanDerWaalsContact CA-ND2 3.35Å; G129-N189 WeakPolarHBondContact CA-ND2 3.27Å; G129-N189 PolarHBondContact O-ND2 3.35Å; G129-N189 VanDerWaalsContact O-ND2 3.12Å; V133-N189 HydrophobicContact CG2-CB 4.18Å; V133-N189 WeakPolarHBondContact CG2-ND2 3.07Å; N185-N189 WeakPolarHBondContact O-CB 3.28Å; N185-N189 PolarHBondContact O-N 2.89Å; I186-N189 PolarHBondContact O-N 3.24Å; I186-N189 VanDerWaalsContact O-N 3.17Å; A187-N189 VanDerWaalsContact C-N 3.35Å; A187-N189 PolarHBondContact O-N 2.65Å; N189-N193 WeakPolarHBondContact O-CB 3.27Å; N189-N193 PolarHBondContact O-N 2.68Å; N189-N193 PolarHBondContact O-ND2 3.4Å; N189-N193 PolarHBondContact OD1-ND2 3.47Å
190	A	71	Confident	70.4	Confident	35 Å²	35	44.6 Å²	44.6	29%	0.289	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-47.7	174.1	0	0	0	0	0	111.9	I186 A187 R188 V192 N193 C194	I186-A190 PolarHBondContact O-N 3.43Å; A187-A190 PolarHBondContact O-N 2.87Å; R188-A190 VanDerWaalsContact C-N 3.28Å; R188-A190 PolarHBondContact O-N 3.46Å; A190-V192 PolarHBondContact O-N 3.41Å; A190-N193 PolarHBondContact O-N 3.36Å; A190-C194 WeakPolarHBondContact O-CB 3.45Å; A190-C194 PolarHBondContact O-N 2.98Å; A190-C194 PolarHBondContact O-SG 3.49Å
191	I	75.8	Confident	70.7	Confident	67 Å²	67	44.5 Å²	44.5	34%	0.344	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-43.7	-179.8	-65.7	163.7	0	0	0	111.5	A187 R188 T195 V238	A187-I191 VanDerWaalsContact O-CG1 3.29Å; A187-I191 WeakPolarHBondContact O-CG1 3.38Å; A187-I191 PolarHBondContact O-N 3.39Å; R188-I191 PolarHBondContact O-N 3.37Å; I191-T195 VanDerWaalsContact O-CB 3.29Å; I191-T195 WeakPolarHBondContact O-CB 3.38Å; I191-T195 PolarHBondContact O-N 2.93Å; I191-T195 PolarHBondContact O-OG1 3.12Å; I191-V238 HydrophobicContact CD1-CG1 4.03Å; I191-V238 HydrophobicContact CD1-CG2 3.9Å; I191-V238 HydrophobicContact CG2-CG2 4.18Å
192	V	72.1	Confident	71.2	Confident	30 Å²	30	51.2 Å²	51.2	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-49.8	178.3	172.3	0	0	0	0	110.4	R188 A190 C194 T195 E196 T231 A235	R188-V192 HydrophobicContact CG-CG2 4.19Å; R188-V192 VanDerWaalsContact O-CG2 3.31Å; R188-V192 WeakPolarHBondContact O-CG2 3.41Å; R188-V192 PolarHBondContact O-N 3.47Å; A190-V192 PolarHBondContact O-N 3.41Å; V192-C194 PolarHBondContact O-N 2.88Å; V192-T195 PolarHBondContact O-N 3.48Å; V192-E196 VanDerWaalsContact O-CB 3.3Å; V192-E196 WeakPolarHBondContact O-CB 3.12Å; V192-E196 PolarHBondContact O-N 3.1Å; V192-T231 HydrophobicContact CG1-CG2 4.02Å; V192-A235 HydrophobicContact CG2-CB 3.84Å
193	N	71.7	Confident	71.2	Confident	51 Å²	51	51.4 Å²	51.4	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-43	179.2	-77.3	-60.4	0	0	0	112.4	N189 A190 T195 L197	N189-N193 WeakPolarHBondContact O-CB 3.27Å; N189-N193 PolarHBondContact O-N 2.68Å; N189-N193 PolarHBondContact O-ND2 3.4Å; N189-N193 PolarHBondContact OD1-ND2 3.47Å; A190-N193 PolarHBondContact O-N 3.36Å; N193-T195 VanDerWaalsContact C-N 3.34Å; N193-T195 PolarHBondContact O-N 2.79Å; N193-L197 WeakPolarHBondContact O-CB 3.35Å; N193-L197 PolarHBondContact O-N 3.42Å; N193-L197 VanDerWaalsContact O-N 3.08Å
194	C	70.1	Confident	71	Confident	47 Å²	47	52.6 Å²	52.6	32%	0.318	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-44.3	176.7	-73.8	0	0	0	0	111.4	A190 V192 V198	A190-C194 WeakPolarHBondContact O-CB 3.45Å; A190-C194 PolarHBondContact O-N 2.98Å; A190-C194 PolarHBondContact O-SG 3.49Å; V192-C194 PolarHBondContact O-N 2.88Å; C194-V198 WeakPolarHBondContact O-CB 3.18Å; C194-V198 VanDerWaalsContact O-CG2 3.24Å; C194-V198 WeakPolarHBondContact O-CG2 3.43Å; C194-V198 PolarHBondContact O-N 2.74Å
195	T	73.6	Confident	71.2	Confident	18 Å²	18	56.4 Å²	56.4	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-44.3	-178.2	-57.8	0	0	0	0	111.6	I191 V192 N193 L197 V198 T199 T231 I234	I191-T195 VanDerWaalsContact O-CB 3.29Å; I191-T195 WeakPolarHBondContact O-CB 3.38Å; I191-T195 PolarHBondContact O-N 2.93Å; I191-T195 PolarHBondContact O-OG1 3.12Å; V192-T195 PolarHBondContact O-N 3.48Å; N193-T195 VanDerWaalsContact C-N 3.34Å; N193-T195 PolarHBondContact O-N 2.79Å; T195-L197 VanDerWaalsContact C-N 3.3Å; T195-L197 PolarHBondContact O-N 3.38Å; T195-V198 PolarHBondContact O-N 3.08Å; T195-T199 WeakPolarHBondContact O-CB 3.03Å; T195-T199 PolarHBondContact O-N 3.02Å; T195-T199 PolarHBondContact O-OG1 3.28Å; T195-T231 HydrophobicContact CG2-CG2 4.3Å; T195-I234 HydrophobicContact CG2-CB 3.82Å; T195-I234 HydrophobicContact CG2-CD1 3.4Å; T195-I234 HydrophobicContact CG2-CG1 4.18Å; T195-I234 HydrophobicContact CG2-CG2 3.84Å
196	E	68.4	Low	71.3	Confident	99 Å²	99	62.8 Å²	62.8	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-44.8	178.2	-172.7	173.8	176.4	0	0	110.8	V192 Y200 T231	V192-E196 VanDerWaalsContact O-CB 3.3Å; V192-E196 WeakPolarHBondContact O-CB 3.12Å; V192-E196 PolarHBondContact O-N 3.1Å; E196-Y200 WeakPolarHBondContact O-CB 3.44Å; E196-Y200 PolarHBondContact O-N 2.85Å; E196-T231 VanDerWaalsContact CA-OG1 3.3Å; E196-T231 WeakPolarHBondContact CA-OG1 3.24Å; E196-T231 HydrophobicContact CB-CG2 4.14Å
197	L	68.4	Low	71	Confident	50 Å²	50	60.9 Å²	60.9	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-66.1	-50.7	179.2	-172.9	134.3	0	0	0	112.3	I118 L122 N193 T195 T199 Y200 D201	I118-L197 HydrophobicContact CG2-CD1 4.07Å; I118-L197 HydrophobicContact CG2-CD2 3.44Å; I118-L197 VanDerWaalsContact CG2-CD2 3.44Å; I118-L197 HydrophobicContact CG2-CG 4.26Å; L122-L197 HydrophobicContact CB-CD1 4.48Å; L122-L197 HydrophobicContact CD1-CB 4.24Å; L122-L197 HydrophobicContact CD1-CD1 4.1Å; L122-L197 HydrophobicContact CD1-CD2 3.8Å; L122-L197 HydrophobicContact CD1-CG 4.25Å; N193-L197 WeakPolarHBondContact O-CB 3.35Å; N193-L197 PolarHBondContact O-N 3.42Å; N193-L197 VanDerWaalsContact O-N 3.08Å; T195-L197 VanDerWaalsContact C-N 3.3Å; T195-L197 PolarHBondContact O-N 3.38Å; L197-T199 VanDerWaalsContact C-N 3.29Å; L197-T199 PolarHBondContact O-N 3.07Å; L197-Y200 PolarHBondContact O-N 2.97Å; L197-D201 PolarHBondContact O-N 3.47Å
198	V	73.9	Confident	70.7	Confident	73 Å²	73	62.8 Å²	62.8	44%	0.442	32%	0.317	S	S	.	.	H	α-helix	trans	-58.8	-44.9	179.3	170.5	0	0	0	0	110.4	C194 T195 D201 F202	C194-V198 WeakPolarHBondContact O-CB 3.18Å; C194-V198 VanDerWaalsContact O-CG2 3.24Å; C194-V198 WeakPolarHBondContact O-CG2 3.43Å; C194-V198 PolarHBondContact O-N 2.74Å; T195-V198 PolarHBondContact O-N 3.08Å; V198-D201 PolarHBondContact O-N 3.47Å; V198-F202 HydrophobicContact CG1-CD2 3.7Å; V198-F202 HydrophobicContact CG1-CE2 3.69Å; V198-F202 WeakPolarHBondContact O-CD2 3.17Å; V198-F202 PolarHBondContact O-N 2.7Å
199	T	71.3	Confident	70.4	Confident	19 Å²	19	65.5 Å²	65.5	12%	0.117	34%	0.341	C	S	.	.	H	α-helix	trans	-70.1	-37.3	-179.2	-41.3	0	0	0	0	111.7	T195 L197 F202 I203 A227 C230	T195-T199 WeakPolarHBondContact O-CB 3.03Å; T195-T199 PolarHBondContact O-N 3.02Å; T195-T199 PolarHBondContact O-OG1 3.28Å; L197-T199 VanDerWaalsContact C-N 3.29Å; L197-T199 PolarHBondContact O-N 3.07Å; T199-F202 PolarHBondContact O-N 2.69Å; T199-I203 HydrophobicContact CG2-CD1 3.58Å; T199-I203 HydrophobicContact CG2-CG1 4.2Å; T199-I203 WeakPolarHBondContact O-CB 3.45Å; T199-I203 WeakPolarHBondContact O-CG1 3.24Å; T199-I203 PolarHBondContact O-N 2.78Å; T199-A227 HydrophobicContact CG2-CB 4.48Å; T199-C230 HydrophobicContact CG2-CB 3.43Å; T199-C230 VanDerWaalsContact CG2-CB 3.43Å
200	Y	67.7	Low	69.9	Low	72 Å²	72	67 Å²	67	28%	0.282	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-45.9	175.7	179.9	-93.6	0	0	0	111.5	E196 L197 I203 K204	E196-Y200 WeakPolarHBondContact O-CB 3.44Å; E196-Y200 PolarHBondContact O-N 2.85Å; L197-Y200 PolarHBondContact O-N 2.97Å; Y200-I203 PolarHBondContact O-N 2.9Å; Y200-K204 HydrophobicContact CE1-CB 4.49Å; Y200-K204 HydrophobicContact CE1-CD 3.92Å; Y200-K204 WeakPolarHBondContact O-CB 3.48Å; Y200-K204 PolarHBondContact O-N 2.97Å
201	D	68.9	Low	69	Low	46 Å²	46	68 Å²	68	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-47	178.6	-72.8	-18.9	0	0	0	111	L197 V198 I203 K204 D205	L197-D201 PolarHBondContact O-N 3.47Å; V198-D201 PolarHBondContact O-N 3.47Å; D201-I203 PolarHBondContact O-N 3.41Å; D201-K204 PolarHBondContact O-N 2.96Å; D201-D205 WeakPolarHBondContact O-CB 3.39Å; D201-D205 VanDerWaalsContact O-CG 3.27Å; D201-D205 PolarHBondContact O-N 3.46Å
202	F	74.3	Confident	67.9	Low	147 Å²	147	71.3 Å²	71.3	65%	0.645	38%	0.383	S	S	*	.	H	α-helix	trans	-58.3	-43.9	175.7	-89.2	-67	0	0	0	113.2	V198 T199 F206	V198-F202 HydrophobicContact CG1-CD2 3.7Å; V198-F202 HydrophobicContact CG1-CE2 3.69Å; V198-F202 WeakPolarHBondContact O-CD2 3.17Å; V198-F202 PolarHBondContact O-N 2.7Å; T199-F202 PolarHBondContact O-N 2.69Å; F202-F206 VanDerWaalsContact O-CB 3.24Å; F202-F206 WeakPolarHBondContact O-CB 3.28Å; F202-F206 PolarHBondContact O-N 3.1Å
203	I	70.3	Confident	66.6	Low	31 Å²	31	74.4 Å²	74.4	16%	0.159	40%	0.398	C	S	.	.	H	α-helix	trans	-73.7	-36.4	-178.5	-66.3	168.4	0	0	0	110.8	T199 Y200 D201 F206 L207 A227	T199-I203 HydrophobicContact CG2-CD1 3.58Å; T199-I203 HydrophobicContact CG2-CG1 4.2Å; T199-I203 WeakPolarHBondContact O-CB 3.45Å; T199-I203 WeakPolarHBondContact O-CG1 3.24Å; T199-I203 PolarHBondContact O-N 2.78Å; Y200-I203 PolarHBondContact O-N 2.9Å; D201-I203 PolarHBondContact O-N 3.41Å; I203-F206 PolarHBondContact O-N 3.33Å; I203-L207 HydrophobicContact CG2-CD1 3.76Å; I203-L207 WeakPolarHBondContact O-CB 3.08Å; I203-L207 PolarHBondContact O-N 2.94Å; I203-A227 HydrophobicContact CD1-CB 4.04Å
204	K	66.1	Low	65.7	Low	74 Å²	74	76 Å²	76	32%	0.322	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-47.4	175.4	-175.2	-178.8	175.7	-171.9	0	110.6	Y200 D201 F206 L207 L208	Y200-K204 HydrophobicContact CE1-CB 4.49Å; Y200-K204 HydrophobicContact CE1-CD 3.92Å; Y200-K204 WeakPolarHBondContact O-CB 3.48Å; Y200-K204 PolarHBondContact O-N 2.97Å; D201-K204 PolarHBondContact O-N 2.96Å; K204-F206 VanDerWaalsContact C-N 3.31Å; K204-F206 PolarHBondContact O-N 2.85Å; K204-L207 PolarHBondContact O-N 3.49Å; K204-L208 HydrophobicContact CG-CD1 3.93Å; K204-L208 HydrophobicContact CG-CG 4.35Å; K204-L208 WeakPolarHBondContact O-CB 3.36Å; K204-L208 VanDerWaalsContact O-CG 3.26Å; K204-L208 WeakPolarHBondContact O-CG 3.29Å; K204-L208 PolarHBondContact O-N 2.81Å
205	D	70.7	Confident	64.9	Low	96 Å²	96	79.3 Å²	79.3	51%	0.513	43%	0.428	S	S	.	.	H	α-helix	trans	-62.8	-40.8	177	-70.6	-13.2	0	0	0	111	D201 T209	D201-D205 WeakPolarHBondContact O-CB 3.39Å; D201-D205 VanDerWaalsContact O-CG 3.27Å; D201-D205 PolarHBondContact O-N 3.46Å; D205-T209 WeakPolarHBondContact O-CB 3.35Å; D205-T209 PolarHBondContact O-N 2.78Å; D205-T209 PolarHBondContact O-OG1 2.89Å
206	F	71.8	Confident	64.2	Low	143 Å²	143	81.6 Å²	81.6	63%	0.627	44%	0.439	S	S	*	.	H	α-helix	trans	-62.9	-42.3	174.7	-172.9	-97.5	0	0	0	112.5	F202 I203 K204 T209 S210	F202-F206 VanDerWaalsContact O-CB 3.24Å; F202-F206 WeakPolarHBondContact O-CB 3.28Å; F202-F206 PolarHBondContact O-N 3.1Å; I203-F206 PolarHBondContact O-N 3.33Å; K204-F206 VanDerWaalsContact C-N 3.31Å; K204-F206 PolarHBondContact O-N 2.85Å; F206-T209 PolarHBondContact O-N 3.39Å; F206-S210 WeakPolarHBondContact O-CB 3.44Å; F206-S210 PolarHBondContact O-N 3.46Å; F206-S210 PolarHBondContact O-OG 3.17Å
207	L	66.1	Low	63.7	Low	26 Å²	26	81.9 Å²	81.9	14%	0.136	44%	0.443	C	S	.	.	H	α-helix	trans	-70	-42	178	-109.5	109.8	0	0	0	112.7	I203 K204 T209 S210 T211 C219	I203-L207 HydrophobicContact CG2-CD1 3.76Å; I203-L207 WeakPolarHBondContact O-CB 3.08Å; I203-L207 PolarHBondContact O-N 2.94Å; K204-L207 PolarHBondContact O-N 3.49Å; L207-T209 PolarHBondContact O-N 3.34Å; L207-S210 PolarHBondContact O-N 3.01Å; L207-T211 PolarHBondContact O-N 2.92Å; L207-T211 PolarHBondContact O-OG1 2.91Å; L207-C219 HydrophobicContact CD2-CB 4.18Å; L207-C219 WeakPolarHBondContact CD2-SG 3.29Å
208	L	66.4	Low	63.3	Low	90 Å²	90	83.7 Å²	83.7	47%	0.471	46%	0.458	S	S	.	.	H	α-helix	trans	-64.5	-30.7	177.2	-71.8	173.8	0	0	0	111.9	K204	K204-L208 HydrophobicContact CG-CD1 3.93Å; K204-L208 HydrophobicContact CG-CG 4.35Å; K204-L208 WeakPolarHBondContact O-CB 3.36Å; K204-L208 VanDerWaalsContact O-CG 3.26Å; K204-L208 WeakPolarHBondContact O-CG 3.29Å; K204-L208 PolarHBondContact O-N 2.81Å
209	T	67	Low	62.7	Low	122 Å²	122	81 Å²	81	75%	0.748	44%	0.442	S	S	*	.	H	α-helix	trans	-83.4	-33.4	177.6	-48.8	0	0	0	0	112.5	D205 F206 L207	D205-T209 WeakPolarHBondContact O-CB 3.35Å; D205-T209 PolarHBondContact O-N 2.78Å; D205-T209 PolarHBondContact O-OG1 2.89Å; F206-T209 PolarHBondContact O-N 3.39Å; L207-T209 PolarHBondContact O-N 3.34Å
210	S	61.8	Low	62.3	Low	70 Å²	70	83 Å²	83	49%	0.49	45%	0.451	S	S	.	.	H	α-helix	trans	-96.1	-13.9	-171.6	-52.6	0	0	0	0	114.9	F206 L207	F206-S210 WeakPolarHBondContact O-CB 3.44Å; F206-S210 PolarHBondContact O-N 3.46Å; F206-S210 PolarHBondContact O-OG 3.17Å; L207-S210 PolarHBondContact O-N 3.01Å
211	T	52.1	Low	62.2	Low	56 Å²	56	83.6 Å²	83.6	34%	0.344	45%	0.454	S	S	.	.			trans	-133.6	129.5	-179.4	27.5	0	0	0	0	111.7	L207 L213	L207-T211 PolarHBondContact O-N 2.92Å; L207-T211 PolarHBondContact O-OG1 2.91Å; T211-L213 PolarHBondContact O-N 3.21Å
212	P	52.7	Low	62	Low	137 Å²	137	86.8 Å²	86.8	89%	0.89	47%	0.471	S	S	*	.			trans	-78.5	36.2	171.8	35.5	-34.4	0	0	0	111
213	L	45.6	Very low	61.5	Low	95 Å²	95	79.9 Å²	79.9	50%	0.497	44%	0.441	S	S	.	.			trans	-93	120.3	174.9	-104.4	87.2	0	0	0	108.6	T211	T211-L213 PolarHBondContact O-N 3.21Å
214	S	52.7	Low	61.1	Low	86 Å²	86	80.8 Å²	80.8	60%	0.601	45%	0.453	S	S	*	.			trans	-49.7	160	164.1	38.2	0	0	0	0	112.3	N216	S214-N216 PolarHBondContact O-N 3.48Å; S214-N216 PolarHBondContact O-ND2 2.99Å; S214-N216 PolarHBondContact OG-ND2 2.9Å
215	D	53.8	Low	61.2	Low	115 Å²	115	81.8 Å²	81.8	62%	0.615	46%	0.457	S	S	*	.	S	Bend	trans	-51.1	75.3	175.1	-89.8	-28.5	0	0	0	112.3	H220	D215-H220 IonicContact OD1-CE1 3.12Å; D215-H220 PolarHBondContact OD1-CE1 2.61Å; D215-H220 IonicContact OD1-NE2 3.8Å; D215-H220 PolarHBondContact OD1-NE2 2.87Å
216	N	59.2	Low	61.1	Low	67 Å²	67	78.3 Å²	78.3	36%	0.358	44%	0.444	S	S	.	.			trans	-102.4	144.1	-179.8	-69.5	-68.6	0	0	0	108.9	S214 P218 C219 H220	S214-N216 PolarHBondContact O-N 3.48Å; S214-N216 PolarHBondContact O-ND2 2.99Å; S214-N216 PolarHBondContact OG-ND2 2.9Å; N216-P218 VanDerWaalsContact C-N 3.29Å; N216-P218 VanDerWaalsContact O-N 3.11Å; N216-C219 VanDerWaalsContact O-CB 3.28Å; N216-C219 WeakPolarHBondContact O-CB 3.35Å; N216-C219 PolarHBondContact O-N 3.43Å; N216-H220 PolarHBondContact O-N 2.95Å
217	L	57.6	Low	60.9	Low	104 Å²	104	71.6 Å²	71.6	55%	0.545	42%	0.416	S	S	.	.	H	α-helix	trans	-42.8	-44.8	175.6	-84.7	161.8	0	0	0	114.3	C219 H220 F221	L217-C219 VanDerWaalsContact C-N 3.31Å; L217-C219 PolarHBondContact O-N 2.93Å; L217-H220 PolarHBondContact O-N 3.3Å; L217-F221 VanDerWaalsContact C-CD2 3.46Å; L217-F221 HydrophobicContact CB-CD2 4.29Å; L217-F221 HydrophobicContact CB-CE2 3.91Å; L217-F221 HydrophobicContact CD2-CE2 3.76Å; L217-F221 HydrophobicContact CD2-CZ 4.03Å; L217-F221 HydrophobicContact CG-CE2 4.42Å; L217-F221 WeakPolarHBondContact O-CD2 3.32Å; L217-F221 WeakPolarHBondContact O-CG 3.29Å; L217-F221 PolarHBondContact O-N 3.35Å
218	P	59.2	Low	60.9	Low	88 Å²	88	71.2 Å²	71.2	57%	0.571	42%	0.418	S	S	*	.	H	α-helix	trans	-63.4	-31.5	179.1	-18.6	31.8	0	0	0	114.3	N216 F221 L222	N216-P218 VanDerWaalsContact C-N 3.29Å; N216-P218 VanDerWaalsContact O-N 3.11Å; P218-F221 PolarHBondContact O-N 3.42Å; P218-L222 WeakPolarHBondContact O-CB 3.41Å; P218-L222 PolarHBondContact O-N 3.28Å
219	C	61.3	Low	61.1	Low	16 Å²	16	69.3 Å²	69.3	11%	0.108	41%	0.408	C	S	.	.	H	α-helix	trans	-67.5	-48.6	177.8	172.3	0	0	0	0	110.5	L207 N216 L217 F221 L222 S223	L207-C219 HydrophobicContact CD2-CB 4.18Å; L207-C219 WeakPolarHBondContact CD2-SG 3.29Å; N216-C219 VanDerWaalsContact O-CB 3.28Å; N216-C219 WeakPolarHBondContact O-CB 3.35Å; N216-C219 PolarHBondContact O-N 3.43Å; L217-C219 VanDerWaalsContact C-N 3.31Å; L217-C219 PolarHBondContact O-N 2.93Å; C219-F221 VanDerWaalsContact C-N 3.26Å; C219-F221 PolarHBondContact O-N 3.46Å; C219-L222 PolarHBondContact O-N 2.64Å; C219-S223 WeakPolarHBondContact O-CB 3.35Å; C219-S223 PolarHBondContact O-N 3Å; C219-S223 PolarHBondContact O-OG 2.91Å; C219-S223 VanDerWaalsContact O-OG 3.05Å
220	H	62.6	Low	61.2	Low	63 Å²	63	66.2 Å²	66.2	29%	0.292	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-32.2	174	-67.2	-66	0	0	0	113	D215 N216 L217 S223 A224	D215-H220 IonicContact OD1-CE1 3.12Å; D215-H220 PolarHBondContact OD1-CE1 2.61Å; D215-H220 IonicContact OD1-NE2 3.8Å; D215-H220 PolarHBondContact OD1-NE2 2.87Å; N216-H220 PolarHBondContact O-N 2.95Å; L217-H220 PolarHBondContact O-N 3.3Å; H220-S223 WeakPolarHBondContact CA-OG 3.02Å; H220-S223 PolarHBondContact O-OG 3.49Å; H220-A224 WeakPolarHBondContact O-CB 3.22Å; H220-A224 PolarHBondContact O-N 2.87Å
221	F	65.3	Low	61.6	Low	83 Å²	83	63.3 Å²	63.3	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-72.9	-44.3	176.7	-73	-55.6	0	0	0	112.8	L217 P218 C219 S223 A224 F225 F291	L217-F221 VanDerWaalsContact C-CD2 3.46Å; L217-F221 HydrophobicContact CB-CD2 4.29Å; L217-F221 HydrophobicContact CB-CE2 3.91Å; L217-F221 HydrophobicContact CD2-CE2 3.76Å; L217-F221 HydrophobicContact CD2-CZ 4.03Å; L217-F221 HydrophobicContact CG-CE2 4.42Å; L217-F221 WeakPolarHBondContact O-CD2 3.32Å; L217-F221 WeakPolarHBondContact O-CG 3.29Å; L217-F221 PolarHBondContact O-N 3.35Å; P218-F221 PolarHBondContact O-N 3.42Å; C219-F221 VanDerWaalsContact C-N 3.26Å; C219-F221 PolarHBondContact O-N 3.46Å; F221-S223 VanDerWaalsContact C-N 3.31Å; F221-S223 PolarHBondContact O-N 3.04Å; F221-A224 PolarHBondContact O-N 2.99Å; F221-F225 VanDerWaalsContact O-CB 3.31Å; F221-F225 WeakPolarHBondContact O-CB 3.41Å; F221-F225 PolarHBondContact O-N 3.12Å; F221-F291 HydrophobicContact CD1-CD2 4.42Å; F221-F291 AromaticContact CD1-CE2 3.93Å; F221-F291 HydrophobicContact CD1-CE2 3.93Å; F221-F291 HydrophobicContact CD2-CE2 4.14Å; F221-F291 HydrophobicContact CE1-CD2 4.25Å; F221-F291 AromaticContact CE1-CE2 3.78Å; F221-F291 HydrophobicContact CE1-CE2 3.78Å; F221-F291 HydrophobicContact CE2-CE2 4.01Å; F221-F291 HydrophobicContact CG-CE2 4.14Å; F221-F291 AromaticContact CZ-CE2 3.84Å; F221-F291 HydrophobicContact CZ-CE2 3.84Å
222	L	65.4	Low	62.4	Low	114 Å²	114	61.4 Å²	61.4	60%	0.597	36%	0.358	S	S	*	.	H	α-helix	trans	-66.5	-38.3	178.8	-169.4	63.5	0	0	0	110.9	P218 C219 F225 G226	P218-L222 WeakPolarHBondContact O-CB 3.41Å; P218-L222 PolarHBondContact O-N 3.28Å; C219-L222 PolarHBondContact O-N 2.64Å; L222-F225 PolarHBondContact O-N 3.38Å; L222-G226 PolarHBondContact O-N 2.91Å
223	S	63.5	Low	63.4	Low	2 Å²	2	57.7 Å²	57.7	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-66.8	-44.8	174.9	64.2	0	0	0	0	112.3	C219 H220 F221 F225 G226 A227	C219-S223 WeakPolarHBondContact O-CB 3.35Å; C219-S223 PolarHBondContact O-N 3Å; C219-S223 PolarHBondContact O-OG 2.91Å; C219-S223 VanDerWaalsContact O-OG 3.05Å; H220-S223 WeakPolarHBondContact CA-OG 3.02Å; H220-S223 PolarHBondContact O-OG 3.49Å; F221-S223 VanDerWaalsContact C-N 3.31Å; F221-S223 PolarHBondContact O-N 3.04Å; S223-F225 VanDerWaalsContact C-N 3.32Å; S223-F225 PolarHBondContact O-N 3.39Å; S223-G226 PolarHBondContact O-N 3.44Å; S223-A227 VanDerWaalsContact O-CB 3.26Å; S223-A227 WeakPolarHBondContact O-CB 3.2Å; S223-A227 PolarHBondContact O-N 2.69Å
224	A	63.3	Low	64.8	Low	50 Å²	50	57 Å²	57	41%	0.413	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-37.1	175	0	0	0	0	0	112.6	H220 F221 A227 G228	H220-A224 WeakPolarHBondContact O-CB 3.22Å; H220-A224 PolarHBondContact O-N 2.87Å; F221-A224 PolarHBondContact O-N 2.99Å; A224-A227 PolarHBondContact O-N 3.48Å; A224-G228 PolarHBondContact O-N 2.91Å
225	F	67.9	Low	65.6	Low	94 Å²	94	53.2 Å²	53.2	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-68.6	-46.6	177.6	-170.9	-99.8	0	0	0	111.6	F221 L222 S223 A227 G228 L229	F221-F225 VanDerWaalsContact O-CB 3.31Å; F221-F225 WeakPolarHBondContact O-CB 3.41Å; F221-F225 PolarHBondContact O-N 3.12Å; L222-F225 PolarHBondContact O-N 3.38Å; S223-F225 VanDerWaalsContact C-N 3.32Å; S223-F225 PolarHBondContact O-N 3.39Å; F225-A227 VanDerWaalsContact C-N 3.31Å; F225-A227 PolarHBondContact O-N 3.48Å; F225-G228 PolarHBondContact O-N 2.91Å; F225-L229 HydrophobicContact CD1-CD1 4.09Å; F225-L229 HydrophobicContact CD1-CG 4.37Å; F225-L229 HydrophobicContact CE1-CD1 3.64Å; F225-L229 HydrophobicContact CE1-CG 4.1Å; F225-L229 HydrophobicContact CZ-CD1 4.31Å; F225-L229 HydrophobicContact CZ-CD2 4.48Å; F225-L229 HydrophobicContact CZ-CG 4.45Å; F225-L229 WeakPolarHBondContact O-CG 3.4Å; F225-L229 PolarHBondContact O-N 2.97Å
226	G	68.2	Low	66.4	Low	23 Å²	23	48 Å²	48	24%	0.237	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-43.3	173.4	0	0	0	0	0	112	L222 S223 G228 L229 C230	L222-G226 PolarHBondContact O-N 2.91Å; S223-G226 PolarHBondContact O-N 3.44Å; G226-G228 PolarHBondContact O-N 2.91Å; G226-L229 PolarHBondContact O-N 3.41Å; G226-C230 PolarHBondContact O-N 2.87Å; G226-C230 VanDerWaalsContact O-N 3.13Å
227	A	66.5	Low	66.9	Low	3 Å²	3	46.3 Å²	46.3	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-43.8	177.1	0	0	0	0	0	111.5	T199 I203 S223 A224 F225 L229 C230 T231	T199-A227 HydrophobicContact CG2-CB 4.48Å; I203-A227 HydrophobicContact CD1-CB 4.04Å; S223-A227 VanDerWaalsContact O-CB 3.26Å; S223-A227 WeakPolarHBondContact O-CB 3.2Å; S223-A227 PolarHBondContact O-N 2.69Å; A224-A227 PolarHBondContact O-N 3.48Å; F225-A227 VanDerWaalsContact C-N 3.31Å; F225-A227 PolarHBondContact O-N 3.48Å; A227-L229 PolarHBondContact O-N 2.92Å; A227-C230 PolarHBondContact O-N 3.34Å; A227-T231 VanDerWaalsContact O-CB 3.26Å; A227-T231 WeakPolarHBondContact O-CB 3.29Å; A227-T231 PolarHBondContact O-N 2.93Å; A227-T231 PolarHBondContact O-OG1 3.36Å
228	G	65.9	Low	67.5	Low	17 Å²	17	43.1 Å²	43.1	18%	0.175	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-38.5	176.9	0	0	0	0	0	113.4	A224 F225 G226 T232	A224-G228 PolarHBondContact O-N 2.91Å; F225-G228 PolarHBondContact O-N 2.91Å; G226-G228 PolarHBondContact O-N 2.91Å; G228-T232 WeakPolarHBondContact O-CB 3.43Å; G228-T232 PolarHBondContact O-N 2.93Å; G228-T232 PolarHBondContact O-OG1 2.9Å
229	L	71.2	Confident	68	Low	50 Å²	50	39.6 Å²	39.6	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-65.4	-51.1	176.6	-72.5	-173.1	0	0	0	112	F225 G226 A227 T231 T232 V233 F280 L283	F225-L229 HydrophobicContact CD1-CD1 4.09Å; F225-L229 HydrophobicContact CD1-CG 4.37Å; F225-L229 HydrophobicContact CE1-CD1 3.64Å; F225-L229 HydrophobicContact CE1-CG 4.1Å; F225-L229 HydrophobicContact CZ-CD1 4.31Å; F225-L229 HydrophobicContact CZ-CD2 4.48Å; F225-L229 HydrophobicContact CZ-CG 4.45Å; F225-L229 WeakPolarHBondContact O-CG 3.4Å; F225-L229 PolarHBondContact O-N 2.97Å; G226-L229 PolarHBondContact O-N 3.41Å; A227-L229 PolarHBondContact O-N 2.92Å; L229-T231 VanDerWaalsContact C-N 3.34Å; L229-T231 PolarHBondContact O-N 2.93Å; L229-T232 WeakPolarHBondContact O-CB 3.23Å; L229-T232 PolarHBondContact O-N 3.45Å; L229-T232 VanDerWaalsContact O-N 3.14Å; L229-V233 WeakPolarHBondContact O-CG2 3.34Å; L229-V233 PolarHBondContact O-N 2.76Å; L229-V233 VanDerWaalsContact O-N 3.08Å; L229-F280 HydrophobicContact CD2-CD2 4.15Å; L229-F280 HydrophobicContact CD2-CE2 3.46Å; L229-F280 VanDerWaalsContact CD2-CE2 3.46Å; L229-F280 HydrophobicContact CD2-CZ 4.11Å; L229-L283 HydrophobicContact CD2-CD2 4.41Å
230	C	70	Confident	68.3	Low	57 Å²	57	39.5 Å²	39.5	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-42.7	177.1	-70.3	0	0	0	0	111.9	T199 G226 A227 T232 V233 I234	T199-C230 HydrophobicContact CG2-CB 3.43Å; T199-C230 VanDerWaalsContact CG2-CB 3.43Å; G226-C230 PolarHBondContact O-N 2.87Å; G226-C230 VanDerWaalsContact O-N 3.13Å; A227-C230 PolarHBondContact O-N 3.34Å; C230-T232 PolarHBondContact O-N 2.93Å; C230-V233 PolarHBondContact O-N 2.93Å; C230-V233 VanDerWaalsContact O-N 3.17Å; C230-I234 WeakPolarHBondContact O-CG1 3.37Å; C230-I234 PolarHBondContact O-N 2.83Å; C230-I234 VanDerWaalsContact O-N 3.08Å
231	T	69.9	Low	68.6	Low	9 Å²	9	37.1 Å²	37.1	6%	0.055	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-39.4	175.4	-58.3	0	0	0	0	111.1	V192 T195 E196 A227 L229 I234 A235	V192-T231 HydrophobicContact CG1-CG2 4.02Å; T195-T231 HydrophobicContact CG2-CG2 4.3Å; E196-T231 VanDerWaalsContact CA-OG1 3.3Å; E196-T231 WeakPolarHBondContact CA-OG1 3.24Å; E196-T231 HydrophobicContact CB-CG2 4.14Å; A227-T231 VanDerWaalsContact O-CB 3.26Å; A227-T231 WeakPolarHBondContact O-CB 3.29Å; A227-T231 PolarHBondContact O-N 2.93Å; A227-T231 PolarHBondContact O-OG1 3.36Å; L229-T231 VanDerWaalsContact C-N 3.34Å; L229-T231 PolarHBondContact O-N 2.93Å; T231-I234 PolarHBondContact O-N 3.24Å; T231-A235 WeakPolarHBondContact O-CB 3.48Å; T231-A235 PolarHBondContact O-N 3.43Å
232	T	67.9	Low	68.8	Low	17 Å²	17	34.4 Å²	34.4	10%	0.104	21%	0.206	C	C	.	.	H	α-helix	trans	-69.6	-37.4	179.3	-58.2	0	0	0	0	112.3	G228 L229 C230 I234 S236 L283	G228-T232 WeakPolarHBondContact O-CB 3.43Å; G228-T232 PolarHBondContact O-N 2.93Å; G228-T232 PolarHBondContact O-OG1 2.9Å; L229-T232 WeakPolarHBondContact O-CB 3.23Å; L229-T232 PolarHBondContact O-N 3.45Å; L229-T232 VanDerWaalsContact O-N 3.14Å; C230-T232 PolarHBondContact O-N 2.93Å; T232-I234 VanDerWaalsContact C-N 3.34Å; T232-S236 WeakPolarHBondContact O-CB 3.38Å; T232-S236 PolarHBondContact O-N 3.01Å; T232-S236 PolarHBondContact O-OG 2.71Å; T232-L283 HydrophobicContact CG2-CD2 4.34Å; T232-L283 WeakPolarHBondContact OG1-CD2 3.26Å
233	V	75	Confident	68.8	Low	59 Å²	59	31.3 Å²	31.3	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-61.1	-45.9	174.7	174.5	0	0	0	0	110.5	L229 C230 P237 F276	L229-V233 WeakPolarHBondContact O-CG2 3.34Å; L229-V233 PolarHBondContact O-N 2.76Å; L229-V233 VanDerWaalsContact O-N 3.08Å; C230-V233 PolarHBondContact O-N 2.93Å; C230-V233 VanDerWaalsContact O-N 3.17Å; V233-P237 WeakPolarHBondContact O-CD 3.5Å; V233-F276 HydrophobicContact CB-CE2 4.48Å; V233-F276 HydrophobicContact CG2-CE2 3.83Å; V233-F276 HydrophobicContact CG2-CZ 4.01Å
234	I	73.5	Confident	68.9	Low	79 Å²	79	32.2 Å²	32.2	41%	0.405	20%	0.195	S	C	.	.	H	α-helix	trans	-74.2	-35.1	-178.6	-65.3	165.4	0	0	0	111.8	T195 C230 T231 T232 P237	T195-I234 HydrophobicContact CG2-CB 3.82Å; T195-I234 HydrophobicContact CG2-CD1 3.4Å; T195-I234 HydrophobicContact CG2-CG1 4.18Å; T195-I234 HydrophobicContact CG2-CG2 3.84Å; C230-I234 WeakPolarHBondContact O-CG1 3.37Å; C230-I234 PolarHBondContact O-N 2.83Å; C230-I234 VanDerWaalsContact O-N 3.08Å; T231-I234 PolarHBondContact O-N 3.24Å; T232-I234 VanDerWaalsContact C-N 3.34Å; I234-P237 VanDerWaalsContact O-CD 3.31Å; I234-P237 WeakPolarHBondContact O-CD 3.37Å; I234-P237 VanDerWaalsContact O-CG 3.27Å; I234-P237 WeakPolarHBondContact O-CG 3.26Å
235	A	69.6	Low	69	Low	8 Å²	8	32.2 Å²	32.2	7%	0.066	19%	0.185	C	C	.	.	H	α-helix	trans	-78.4	-22.5	179.9	0	0	0	0	0	113.7	V192 T231 V238 D239	V192-A235 HydrophobicContact CG2-CB 3.84Å; T231-A235 WeakPolarHBondContact O-CB 3.48Å; T231-A235 PolarHBondContact O-N 3.43Å; A235-V238 WeakPolarHBondContact O-CB 3.41Å; A235-V238 PolarHBondContact O-N 2.63Å; A235-D239 PolarHBondContact O-N 2.96Å
236	S	71.3	Confident	68.6	Low	6 Å²	6	29.2 Å²	29.2	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-53.5	-50.6	179.9	-71.8	0	0	0	0	114.6	T232 V238 D239 V240 F276	T232-S236 WeakPolarHBondContact O-CB 3.38Å; T232-S236 PolarHBondContact O-N 3.01Å; T232-S236 PolarHBondContact O-OG 2.71Å; S236-V238 VanDerWaalsContact C-N 3.3Å; S236-V238 PolarHBondContact O-N 3.22Å; S236-D239 PolarHBondContact O-N 3.35Å; S236-V240 WeakPolarHBondContact O-CG2 3.34Å; S236-V240 PolarHBondContact O-N 3.2Å; S236-V240 VanDerWaalsContact O-N 3.07Å; S236-F276 WeakPolarHBondContact OG-CD2 3.36Å
237	P	69.3	Low	68.2	Low	31 Å²	31	30.8 Å²	30.8	20%	0.201	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-39	176.8	21.1	-33.5	0	0	0	112.7	V233 I234 D239 V240 V241 F272	V233-P237 WeakPolarHBondContact O-CD 3.5Å; I234-P237 VanDerWaalsContact O-CD 3.31Å; I234-P237 WeakPolarHBondContact O-CD 3.37Å; I234-P237 VanDerWaalsContact O-CG 3.27Å; I234-P237 WeakPolarHBondContact O-CG 3.26Å; P237-D239 VanDerWaalsContact C-N 3.34Å; P237-V240 PolarHBondContact O-N 3.39Å; P237-V241 WeakPolarHBondContact O-CG2 3.41Å; P237-V241 PolarHBondContact O-N 3.37Å; P237-V241 VanDerWaalsContact O-N 3.1Å; P237-F272 HydrophobicContact CB-CB 3.99Å; P237-F272 HydrophobicContact CB-CD1 4Å; P237-F272 HydrophobicContact CB-CG 4.4Å
238	V	71.4	Confident	67.6	Low	36 Å²	36	31.3 Å²	31.3	22%	0.218	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-39.9	178.1	-179.3	0	0	0	0	110.9	R188 I191 A235 S236 V241 K242	R188-V238 HydrophobicContact CB-CG1 3.96Å; R188-V238 HydrophobicContact CG-CG1 4.11Å; I191-V238 HydrophobicContact CD1-CG1 4.03Å; I191-V238 HydrophobicContact CD1-CG2 3.9Å; I191-V238 HydrophobicContact CG2-CG2 4.18Å; A235-V238 WeakPolarHBondContact O-CB 3.41Å; A235-V238 PolarHBondContact O-N 2.63Å; S236-V238 VanDerWaalsContact C-N 3.3Å; S236-V238 PolarHBondContact O-N 3.22Å; V238-V241 PolarHBondContact O-N 3.37Å; V238-K242 VanDerWaalsContact O-CB 3.29Å; V238-K242 WeakPolarHBondContact O-CB 3.35Å; V238-K242 PolarHBondContact O-N 3.22Å
239	D	69.6	Low	67	Low	15 Å²	15	33.4 Å²	33.4	8%	0.08	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-39.4	177.3	-85.5	-1.1	0	0	0	112.6	R188 A235 S236 P237 T243	R188-D239 VanDerWaalsContact CD-OD1 3.24Å; R188-D239 WeakPolarHBondContact CD-OD1 3.28Å; R188-D239 VanDerWaalsContact CZ-CG 3.41Å; R188-D239 IonicContact CZ-OD1 2.85Å; R188-D239 IonicContact CZ-OD2 3.44Å; R188-D239 VanDerWaalsContact CZ-OD2 3.32Å; R188-D239 IonicContact NE-OD1 3.42Å; R188-D239 PolarHBondContact NE-OD1 2.96Å; R188-D239 IonicContact NH1-OD1 3.32Å; R188-D239 PolarHBondContact NH1-OD1 3.46Å; R188-D239 IonicContact NH1-OD2 3.4Å; R188-D239 PolarHBondContact NH1-OD2 3.29Å; R188-D239 IonicContact NH2-OD1 3.51Å; R188-D239 PolarHBondContact NH2-OD1 2.97Å; R188-D239 VanDerWaalsContact NH2-OD1 3.12Å; R188-D239 IonicContact NH2-OD2 2.78Å; R188-D239 PolarHBondContact NH2-OD2 2.92Å; A235-D239 PolarHBondContact O-N 2.96Å; S236-D239 PolarHBondContact O-N 3.35Å; P237-D239 VanDerWaalsContact C-N 3.34Å; D239-T243 WeakPolarHBondContact O-CB 3.28Å; D239-T243 VanDerWaalsContact O-CG2 3.29Å; D239-T243 WeakPolarHBondContact O-CG2 3.47Å; D239-T243 PolarHBondContact O-N 3.31Å; D239-T243 PolarHBondContact O-OG1 3.45Å
240	V	67.6	Low	66.1	Low	13 Å²	13	36.9 Å²	36.9	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-44.9	177	175.3	0	0	0	0	111.2	S236 P237 K242 T243 R244 M263 F272	S236-V240 WeakPolarHBondContact O-CG2 3.34Å; S236-V240 PolarHBondContact O-N 3.2Å; S236-V240 VanDerWaalsContact O-N 3.07Å; P237-V240 PolarHBondContact O-N 3.39Å; V240-K242 PolarHBondContact O-N 3.32Å; V240-T243 WeakPolarHBondContact CA-OG1 3.48Å; V240-T243 PolarHBondContact O-N 3.17Å; V240-T243 PolarHBondContact O-OG1 2.85Å; V240-R244 WeakPolarHBondContact O-CG 3.39Å; V240-R244 PolarHBondContact O-N 3.26Å; V240-R244 VanDerWaalsContact O-N 3.11Å; V240-M263 HydrophobicContact CG1-CE 4.03Å; V240-M263 HydrophobicContact CG1-SD 3.97Å; V240-F272 WeakPolarHBondContact CG2-O 3.35Å
241	V	69.3	Low	65.5	Low	13 Å²	13	38 Å²	38	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-42.1	178.3	176	0	0	0	0	111.2	P237 V238 Y245 V256 A260 M263 F272	P237-V241 WeakPolarHBondContact O-CG2 3.41Å; P237-V241 PolarHBondContact O-N 3.37Å; P237-V241 VanDerWaalsContact O-N 3.1Å; V238-V241 PolarHBondContact O-N 3.37Å; V241-Y245 WeakPolarHBondContact O-CB 3.07Å; V241-Y245 PolarHBondContact O-N 2.92Å; V241-V256 HydrophobicContact CG1-CG1 3.61Å; V241-A260 HydrophobicContact CG1-CB 4.14Å; V241-A260 HydrophobicContact CG2-CB 4.11Å; V241-M263 HydrophobicContact CG2-CE 3.72Å; V241-F272 HydrophobicContact CG2-CD1 3.95Å; V241-F272 HydrophobicContact CG2-CE1 3.62Å
242	K	68.8	Low	64.9	Low	26 Å²	26	43.8 Å²	43.8	11%	0.113	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-48.6	177.7	176.5	-167.4	167.6	-168.4	0	111.8	P184 N185 R188 V238 V240 R244 Y245 M246	P184-K242 HydrophobicContact CB-CG 4.24Å; N185-K242 WeakPolarHBondContact OD1-CE 3.44Å; N185-K242 PolarHBondContact OD1-NZ 3.18Å; R188-K242 HydrophobicContact CB-CD 4.35Å; V238-K242 VanDerWaalsContact O-CB 3.29Å; V238-K242 WeakPolarHBondContact O-CB 3.35Å; V238-K242 PolarHBondContact O-N 3.22Å; V240-K242 PolarHBondContact O-N 3.32Å; K242-R244 VanDerWaalsContact C-N 3.35Å; K242-R244 PolarHBondContact O-N 3.46Å; K242-Y245 PolarHBondContact O-N 2.92Å; K242-M246 HydrophobicContact CD-SD 4.47Å; K242-M246 VanDerWaalsContact CE-SD 3.59Å; K242-M246 HydrophobicContact CG-CG 4.45Å; K242-M246 HydrophobicContact CG-SD 4.02Å; K242-M246 WeakPolarHBondContact O-CB 3.35Å; K242-M246 WeakPolarHBondContact O-CG 3.28Å; K242-M246 PolarHBondContact O-N 2.99Å
243	T	65	Low	64.6	Low	50 Å²	50	45.4 Å²	45.4	31%	0.307	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-42.5	-177.7	46.1	0	0	0	0	111.3	D239 V240 M246 N247	D239-T243 WeakPolarHBondContact O-CB 3.28Å; D239-T243 VanDerWaalsContact O-CG2 3.29Å; D239-T243 WeakPolarHBondContact O-CG2 3.47Å; D239-T243 PolarHBondContact O-N 3.31Å; D239-T243 PolarHBondContact O-OG1 3.45Å; V240-T243 WeakPolarHBondContact CA-OG1 3.48Å; V240-T243 PolarHBondContact O-N 3.17Å; V240-T243 PolarHBondContact O-OG1 2.85Å; T243-M246 PolarHBondContact O-N 3.29Å; T243-N247 VanDerWaalsContact O-CB 3.3Å; T243-N247 WeakPolarHBondContact O-CB 3.33Å; T243-N247 PolarHBondContact O-N 2.94Å
244	R	65.4	Low	64	Low	20 Å²	20	47.4 Å²	47.4	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-50.5	170.7	-79.3	-113.3	-165.3	173	5.4	113.5	E46 V240 K242 M246 N247 S248 M263 E267	E46-R244 WeakPolarHBondContact OE1-CD 3.19Å; V240-R244 WeakPolarHBondContact O-CG 3.39Å; V240-R244 PolarHBondContact O-N 3.26Å; V240-R244 VanDerWaalsContact O-N 3.11Å; K242-R244 VanDerWaalsContact C-N 3.35Å; K242-R244 PolarHBondContact O-N 3.46Å; R244-M246 VanDerWaalsContact C-N 3.33Å; R244-M246 PolarHBondContact O-N 3.46Å; R244-N247 PolarHBondContact O-N 2.87Å; R244-S248 WeakPolarHBondContact O-CB 3.3Å; R244-S248 PolarHBondContact O-N 3.47Å; R244-S248 PolarHBondContact O-OG 3.18Å; R244-M263 HydrophobicContact CG-SD 4.39Å; R244-E267 IonicContact CZ-OE1 3.78Å; R244-E267 IonicContact CZ-OE2 3.67Å; R244-E267 IonicContact NH1-OE1 3.32Å; R244-E267 PolarHBondContact NH1-OE1 2.94Å; R244-E267 IonicContact NH2-OE1 3.12Å; R244-E267 PolarHBondContact NH2-OE1 2.9Å; R244-E267 IonicContact NH2-OE2 2.73Å; R244-E267 PolarHBondContact NH2-OE2 3.28Å
245	Y	66.3	Low	63.8	Low	50 Å²	50	45.8 Å²	45.8	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-41.5	-178.3	-179.2	-99	0	0	0	111.7	P184 V241 K242 N247 S248 V256	P184-Y245 HydrophobicContact CB-CD1 4.43Å; P184-Y245 HydrophobicContact CG-CD1 3.54Å; P184-Y245 HydrophobicContact CG-CE1 3.63Å; V241-Y245 WeakPolarHBondContact O-CB 3.07Å; V241-Y245 PolarHBondContact O-N 2.92Å; K242-Y245 PolarHBondContact O-N 2.92Å; Y245-N247 VanDerWaalsContact C-N 3.33Å; Y245-N247 PolarHBondContact O-N 2.86Å; Y245-S248 PolarHBondContact O-OG 3.4Å; Y245-V256 HydrophobicContact CD1-CG2 4.29Å; Y245-V256 HydrophobicContact CD2-CG2 4.45Å; Y245-V256 HydrophobicContact CE1-CG2 4.42Å; Y245-V256 HydrophobicContact CG-CG2 4.3Å
246	M	58.7	Low	63.8	Low	31 Å²	31	47.9 Å²	47.9	15%	0.153	29%	0.288	C	S	.	.	H	α-helix	trans	-67.8	-30.8	176.7	-71.5	-176.7	70.9	0	0	113.3	V141 K242 T243 R244	V141-M246 HydrophobicContact CG2-CE 4.13Å; K242-M246 HydrophobicContact CD-SD 4.47Å; K242-M246 VanDerWaalsContact CE-SD 3.59Å; K242-M246 HydrophobicContact CG-CG 4.45Å; K242-M246 HydrophobicContact CG-SD 4.02Å; K242-M246 WeakPolarHBondContact O-CB 3.35Å; K242-M246 WeakPolarHBondContact O-CG 3.28Å; K242-M246 PolarHBondContact O-N 2.99Å; T243-M246 PolarHBondContact O-N 3.29Å; R244-M246 VanDerWaalsContact C-N 3.33Å; R244-M246 PolarHBondContact O-N 3.46Å
247	N	59.9	Low	63.9	Low	56 Å²	56	54.4 Å²	54.4	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-88.1	-18.5	-178.7	-155	45.2	0	0	0	113.6	E46 T243 R244 Y245	E46-N247 PolarHBondContact OE2-ND2 3.49Å; T243-N247 VanDerWaalsContact O-CB 3.3Å; T243-N247 WeakPolarHBondContact O-CB 3.33Å; T243-N247 PolarHBondContact O-N 2.94Å; R244-N247 PolarHBondContact O-N 2.87Å; Y245-N247 VanDerWaalsContact C-N 3.33Å; Y245-N247 PolarHBondContact O-N 2.86Å
248	S	55.1	Low	64.3	Low	14 Å²	14	56.5 Å²	56.5	10%	0.098	33%	0.331	C	S	.	.	S	Bend	trans	-68.3	145.2	180	62.1	0	0	0	0	113.8	R244 Y245	R244-S248 WeakPolarHBondContact O-CB 3.3Å; R244-S248 PolarHBondContact O-N 3.47Å; R244-S248 PolarHBondContact O-OG 3.18Å; Y245-S248 PolarHBondContact O-OG 3.4Å
249	A	52.7	Low	64.2	Low	61 Å²	61	54.8 Å²	54.8	50%	0.504	32%	0.321	S	S	.	.			trans	-62.1	148.5	179.3	0	0	0	0	0	111.2	G251 Q252	A249-G251 PolarHBondContact O-N 3.49Å; A249-Q252 HydrophobicContact CB-CG 4.44Å; A249-Q252 PolarHBondContact O-N 2.9Å; A249-Q252 VanDerWaalsContact O-N 3.13Å
250	L	52.2	Low	64.4	Low	124 Å²	124	55.1 Å²	55.1	65%	0.649	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	113.6	175.6	-76.6	151.7	0	0	0	109.6	E173 K180	E173-L250 HydrophobicContact CG-CD1 4.4Å; K180-L250 HydrophobicContact CD-CD2 4.11Å; K180-L250 VanDerWaalsContact NZ-CG 3.35Å
251	G	57.3	Low	64.8	Low	79 Å²	79	57.2 Å²	57.2	81%	0.814	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	-10.2	177.1	0	0	0	0	0	116.7	A249	A249-G251 PolarHBondContact O-N 3.49Å
252	Q	58.1	Low	65	Low	131 Å²	131	57.6 Å²	57.6	61%	0.612	35%	0.349	S	S	*	.	S	Bend	trans	-71.6	-27.7	179.1	-90.2	-177.5	-25.5	0	0	114.2	A249	A249-Q252 HydrophobicContact CB-CG 4.44Å; A249-Q252 PolarHBondContact O-N 2.9Å; A249-Q252 VanDerWaalsContact O-N 3.13Å
253	Y	60.6	Low	65.3	Low	52 Å²	52	56.5 Å²	56.5	20%	0.204	34%	0.344	C	S	.	.			trans	-135.1	124.1	176.7	-63.4	-72.6	0	0	0	110.5	C259 A262	Y253-C259 VanDerWaalsContact CD1-CA 3.49Å; Y253-C259 HydrophobicContact CD1-CB 3.78Å; Y253-C259 HydrophobicContact CD2-CB 4.29Å; Y253-C259 HydrophobicContact CE1-CB 4.19Å; Y253-C259 HydrophobicContact CG-CB 3.83Å; Y253-A262 HydrophobicContact CE1-CB 3.82Å
254	S	62.7	Low	66	Low	100 Å²	100	59.5 Å²	59.5	70%	0.699	36%	0.357	S	S	*	.	S	Bend	trans	-74.4	-28.4	177.8	57.7	0	0	0	0	113	N258	S254-N258 PolarHBondContact OG-ND2 2.83Å
255	S	69.8	Low	66.6	Low	46 Å²	46	62.8 Å²	62.8	32%	0.322	39%	0.388	S	S	.	.	S	Bend	trans	-151.9	159.6	179.8	70.3	0	0	0	0	112.1	L257 N258 C259	S255-L257 PolarHBondContact O-N 3.23Å; S255-N258 WeakPolarHBondContact O-CB 3.31Å; S255-N258 PolarHBondContact O-N 3.48Å; S255-N258 VanDerWaalsContact O-N 3.13Å; S255-N258 WeakPolarHBondContact OG-CB 3.49Å; S255-N258 PolarHBondContact OG-N 2.92Å; S255-N258 VanDerWaalsContact OG-N 3.12Å; S255-C259 PolarHBondContact O-N 3.39Å
256	V	69.1	Low	67	Low	51 Å²	51	68.7 Å²	68.7	31%	0.309	41%	0.414	S	S	.	.	H	α-helix	trans	-57.8	-37.7	174.7	-177.6	0	0	0	0	111.1	P184 V241 Y245 C259 A260	P184-V256 HydrophobicContact CB-CG2 4.26Å; P184-V256 HydrophobicContact CG-CG2 3.73Å; V241-V256 HydrophobicContact CG1-CG1 3.61Å; Y245-V256 HydrophobicContact CD1-CG2 4.29Å; Y245-V256 HydrophobicContact CD2-CG2 4.45Å; Y245-V256 HydrophobicContact CE1-CG2 4.42Å; Y245-V256 HydrophobicContact CG-CG2 4.3Å; V256-C259 WeakPolarHBondContact O-CB 3.31Å; V256-C259 PolarHBondContact O-N 2.72Å; V256-A260 PolarHBondContact O-N 2.92Å
257	L	74	Confident	67.6	Low	143 Å²	143	69.7 Å²	69.7	75%	0.749	42%	0.419	S	S	*	.	H	α-helix	trans	-67.3	-39.1	177.1	-66.5	171.9	0	0	0	111.8	S255 C259 A260 A261	S255-L257 PolarHBondContact O-N 3.23Å; L257-C259 VanDerWaalsContact C-N 3.34Å; L257-A260 PolarHBondContact O-N 3.1Å; L257-A261 WeakPolarHBondContact O-CB 3.27Å; L257-A261 PolarHBondContact O-N 3.44Å
258	N	76.8	Confident	68.4	Low	75 Å²	75	68 Å²	68	40%	0.401	41%	0.414	S	S	.	.	H	α-helix	trans	-67	-37.2	175.7	-161.4	7.6	0	0	0	111.3	S254 S255 A262	S254-N258 PolarHBondContact OG-ND2 2.83Å; S255-N258 WeakPolarHBondContact O-CB 3.31Å; S255-N258 PolarHBondContact O-N 3.48Å; S255-N258 VanDerWaalsContact O-N 3.13Å; S255-N258 WeakPolarHBondContact OG-CB 3.49Å; S255-N258 PolarHBondContact OG-N 2.92Å; S255-N258 VanDerWaalsContact OG-N 3.12Å; N258-A262 WeakPolarHBondContact O-CB 3.41Å; N258-A262 PolarHBondContact O-N 2.86Å
259	C	69.2	Low	69.3	Low	1 Å²	1	71.8 Å²	71.8	1%	0.007	44%	0.439	C	S	.	.	H	α-helix	trans	-63	-45.1	171.3	-174.1	0	0	0	0	112.1	Y253 S255 V256 L257 M263	Y253-C259 VanDerWaalsContact CD1-CA 3.49Å; Y253-C259 HydrophobicContact CD1-CB 3.78Å; Y253-C259 HydrophobicContact CD2-CB 4.29Å; Y253-C259 HydrophobicContact CE1-CB 4.19Å; Y253-C259 HydrophobicContact CG-CB 3.83Å; S255-C259 PolarHBondContact O-N 3.39Å; V256-C259 WeakPolarHBondContact O-CB 3.31Å; V256-C259 PolarHBondContact O-N 2.72Å; L257-C259 VanDerWaalsContact C-N 3.34Å; C259-M263 VanDerWaalsContact O-CB 3.29Å; C259-M263 WeakPolarHBondContact O-CB 3.34Å; C259-M263 PolarHBondContact O-N 3Å
260	A	72.9	Confident	70.2	Confident	22 Å²	22	75.8 Å²	75.8	18%	0.182	45%	0.451	C	S	.	.	H	α-helix	trans	-63.8	-44.3	178	0	0	0	0	0	111.9	V241 V256 L257 M263 M264	V241-A260 HydrophobicContact CG1-CB 4.14Å; V241-A260 HydrophobicContact CG2-CB 4.11Å; V256-A260 PolarHBondContact O-N 2.92Å; L257-A260 PolarHBondContact O-N 3.1Å; A260-M263 PolarHBondContact O-N 3.3Å; A260-M264 WeakPolarHBondContact O-CB 3.27Å; A260-M264 PolarHBondContact O-N 3.45Å
261	A	77.4	Confident	70.9	Confident	56 Å²	56	70 Å²	70	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-45.6	177.2	0	0	0	0	0	111.9	L257 M263 M264 A265	L257-A261 WeakPolarHBondContact O-CB 3.27Å; L257-A261 PolarHBondContact O-N 3.44Å; A261-M263 VanDerWaalsContact C-N 3.3Å; A261-M263 PolarHBondContact O-N 3.46Å; A261-M264 PolarHBondContact O-N 3.27Å; A261-A265 WeakPolarHBondContact O-CB 3.45Å; A261-A265 PolarHBondContact O-N 3.48Å
262	A	73.6	Confident	71.4	Confident	21 Å²	21	67.3 Å²	67.3	17%	0.174	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-36.9	176.1	0	0	0	0	0	112.3	Y253 N258 K266	Y253-A262 HydrophobicContact CE1-CB 3.82Å; N258-A262 WeakPolarHBondContact O-CB 3.41Å; N258-A262 PolarHBondContact O-N 2.86Å; A262-K266 VanDerWaalsContact O-CB 3.28Å; A262-K266 WeakPolarHBondContact O-CB 3.39Å; A262-K266 WeakPolarHBondContact O-CG 3.38Å; A262-K266 PolarHBondContact O-N 3.43Å
263	M	75.1	Confident	72	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.015	38%	0.379	C	S	.	.	H	α-helix	trans	-68.3	-41.8	176.2	-166.2	172.2	73.4	0	0	111.4	V240 V241 R244 C259 A260 A261 E267 G268 A271 F272	V240-M263 HydrophobicContact CG1-CE 4.03Å; V240-M263 HydrophobicContact CG1-SD 3.97Å; V241-M263 HydrophobicContact CG2-CE 3.72Å; R244-M263 HydrophobicContact CG-SD 4.39Å; C259-M263 VanDerWaalsContact O-CB 3.29Å; C259-M263 WeakPolarHBondContact O-CB 3.34Å; C259-M263 PolarHBondContact O-N 3Å; A260-M263 PolarHBondContact O-N 3.3Å; A261-M263 VanDerWaalsContact C-N 3.3Å; A261-M263 PolarHBondContact O-N 3.46Å; M263-E267 PolarHBondContact O-N 2.87Å; M263-G268 PolarHBondContact O-N 2.99Å; M263-A271 HydrophobicContact CG-CB 4.27Å; M263-F272 HydrophobicContact CE-CB 4.45Å; M263-F272 HydrophobicContact CE-CD1 3.14Å; M263-F272 HydrophobicContact CE-CD2 3.96Å; M263-F272 HydrophobicContact CE-CE1 3.11Å; M263-F272 HydrophobicContact CE-CE2 3.92Å; M263-F272 HydrophobicContact CE-CG 3.59Å; M263-F272 HydrophobicContact CE-CZ 3.51Å
264	M	78.6	Confident	72	Confident	114 Å²	114	70 Å²	70	56%	0.562	40%	0.395	S	S	*	.	H	α-helix	trans	-63.2	-42.9	175.3	-171.3	171.9	-73.7	0	0	111.9	A260 A261 G268 F272	A260-M264 WeakPolarHBondContact O-CB 3.27Å; A260-M264 PolarHBondContact O-N 3.45Å; A261-M264 PolarHBondContact O-N 3.27Å; M264-G268 WeakPolarHBondContact O-CA 3.14Å; M264-G268 PolarHBondContact O-N 3.47Å; M264-F272 HydrophobicContact CB-CE2 3.94Å; M264-F272 HydrophobicContact CB-CZ 4.11Å; M264-F272 HydrophobicContact CE-CE2 3.86Å; M264-F272 HydrophobicContact CE-CZ 3.98Å; M264-F272 HydrophobicContact CG-CE2 4.36Å
265	A	77.8	Confident	71.9	Confident	89 Å²	89	66 Å²	66	74%	0.736	37%	0.371	S	S	*	.	H	α-helix	trans	-71.8	-36.2	-179.6	0	0	0	0	0	113.5	A261	A261-A265 WeakPolarHBondContact O-CB 3.45Å; A261-A265 PolarHBondContact O-N 3.48Å
266	K	75.6	Confident	71.6	Confident	173 Å²	173	66.4 Å²	66.4	75%	0.752	37%	0.366	S	S	*	.	H	α-helix	trans	-92.2	-31.3	-175.2	-68.4	-175.5	177.6	-175.6	0	114.5	A262	A262-K266 VanDerWaalsContact O-CB 3.28Å; A262-K266 WeakPolarHBondContact O-CB 3.39Å; A262-K266 WeakPolarHBondContact O-CG 3.38Å; A262-K266 PolarHBondContact O-N 3.43Å
267	E	70.8	Confident	71.1	Confident	52 Å²	52	69.7 Å²	69.7	24%	0.243	38%	0.38	C	S	.	.	H	α-helix	trans	-125.3	-7.4	-171.4	-59.6	-174.4	-153.4	0	0	114.1	R244 M263 A271	R244-E267 IonicContact CZ-OE1 3.78Å; R244-E267 IonicContact CZ-OE2 3.67Å; R244-E267 IonicContact NH1-OE1 3.32Å; R244-E267 PolarHBondContact NH1-OE1 2.94Å; R244-E267 IonicContact NH2-OE1 3.12Å; R244-E267 PolarHBondContact NH2-OE1 2.9Å; R244-E267 IonicContact NH2-OE2 2.73Å; R244-E267 PolarHBondContact NH2-OE2 3.28Å; M263-E267 PolarHBondContact O-N 2.87Å; E267-A271 HydrophobicContact CB-CB 3.47Å; E267-A271 VanDerWaalsContact CB-CB 3.47Å
268	G	78.1	Confident	70.4	Confident	20 Å²	20	63.7 Å²	63.7	21%	0.206	35%	0.35	C	S	.	.			trans	77.7	176.9	177.7	0	0	0	0	0	114.7	M263 M264 L270 A271	M263-G268 PolarHBondContact O-N 2.99Å; M264-G268 WeakPolarHBondContact O-CA 3.14Å; M264-G268 PolarHBondContact O-N 3.47Å; G268-L270 VanDerWaalsContact C-N 3.29Å; G268-L270 PolarHBondContact O-N 2.69Å; G268-A271 VanDerWaalsContact O-CB 3.28Å; G268-A271 WeakPolarHBondContact O-CB 3.22Å; G268-A271 PolarHBondContact O-N 2.89Å
269	P	73.8	Confident	69.7	Low	95 Å²	95	60.5 Å²	60.5	62%	0.617	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-67.1	-26.1	-174.6	25	-33.5	0	0	0	113.7	A271 F272	P269-A271 PolarHBondContact O-N 3.48Å; P269-F272 PolarHBondContact O-N 3.17Å
270	L	70.8	Confident	69.6	Low	144 Å²	144	64.3 Å²	64.3	75%	0.754	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-69	-20	176.8	-72.7	165	0	0	0	112.8	G268 F272 Y273 K274	G268-L270 VanDerWaalsContact C-N 3.29Å; G268-L270 PolarHBondContact O-N 2.69Å; L270-F272 VanDerWaalsContact C-N 3.27Å; L270-F272 PolarHBondContact O-N 3.08Å; L270-Y273 PolarHBondContact O-N 3.3Å; L270-K274 PolarHBondContact O-N 2.8Å
271	A	67.1	Low	69.1	Low	2 Å²	2	66.6 Å²	66.6	2%	0.017	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-65	-31	176.9	0	0	0	0	0	112.6	M263 E267 G268 P269 Y273 K274	M263-A271 HydrophobicContact CG-CB 4.27Å; E267-A271 HydrophobicContact CB-CB 3.47Å; E267-A271 VanDerWaalsContact CB-CB 3.47Å; G268-A271 VanDerWaalsContact O-CB 3.28Å; G268-A271 WeakPolarHBondContact O-CB 3.22Å; G268-A271 PolarHBondContact O-N 2.89Å; P269-A271 PolarHBondContact O-N 3.48Å; A271-Y273 PolarHBondContact O-N 3.14Å; A271-K274 WeakPolarHBondContact O-CB 3.35Å; A271-K274 PolarHBondContact O-N 3.41Å
272	F	68.6	Low	68.4	Low	23 Å²	23	67.7 Å²	67.7	10%	0.101	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-67.2	-21	176.9	-67.9	-91.7	0	0	0	113.3	P237 V240 V241 M263 M264 P269 L270	P237-F272 HydrophobicContact CB-CB 3.99Å; P237-F272 HydrophobicContact CB-CD1 4Å; P237-F272 HydrophobicContact CB-CG 4.4Å; V240-F272 WeakPolarHBondContact CG2-O 3.35Å; V241-F272 HydrophobicContact CG2-CD1 3.95Å; V241-F272 HydrophobicContact CG2-CE1 3.62Å; M263-F272 HydrophobicContact CE-CB 4.45Å; M263-F272 HydrophobicContact CE-CD1 3.14Å; M263-F272 HydrophobicContact CE-CD2 3.96Å; M263-F272 HydrophobicContact CE-CE1 3.11Å; M263-F272 HydrophobicContact CE-CE2 3.92Å; M263-F272 HydrophobicContact CE-CG 3.59Å; M263-F272 HydrophobicContact CE-CZ 3.51Å; M264-F272 HydrophobicContact CB-CE2 3.94Å; M264-F272 HydrophobicContact CB-CZ 4.11Å; M264-F272 HydrophobicContact CE-CE2 3.86Å; M264-F272 HydrophobicContact CE-CZ 3.98Å; M264-F272 HydrophobicContact CG-CE2 4.36Å; P269-F272 PolarHBondContact O-N 3.17Å; L270-F272 VanDerWaalsContact C-N 3.27Å; L270-F272 PolarHBondContact O-N 3.08Å
273	Y	69.2	Low	67.8	Low	115 Å²	115	68.6 Å²	68.6	45%	0.451	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-102.7	-0.4	177.3	-70.4	-86.3	0	0	0	113.1	L270 A271 G275 F276	L270-Y273 PolarHBondContact O-N 3.3Å; A271-Y273 PolarHBondContact O-N 3.14Å; Y273-G275 PolarHBondContact O-N 3.46Å; Y273-F276 HydrophobicContact CD1-CB 4.37Å; Y273-F276 HydrophobicContact CD1-CD2 4.36Å; Y273-F276 HydrophobicContact CD1-CG 4.48Å; Y273-F276 VanDerWaalsContact O-CB 3.28Å; Y273-F276 WeakPolarHBondContact O-CB 3.38Å; Y273-F276 PolarHBondContact O-N 3.08Å
274	K	62.1	Low	67	Low	124 Å²	124	69.5 Å²	69.5	54%	0.539	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	109.2	169.9	-83.7	-178.3	176.8	169.7	0	108.9	L270 A271	L270-K274 PolarHBondContact O-N 2.8Å; A271-K274 WeakPolarHBondContact O-CB 3.35Å; A271-K274 PolarHBondContact O-N 3.41Å
275	G	58.8	Low	66.1	Low	18 Å²	18	65.5 Å²	65.5	19%	0.186	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.8	3	-174.6	0	0	0	0	0	114.6	Y273 P278 S279	Y273-G275 PolarHBondContact O-N 3.46Å; G275-P278 WeakPolarHBondContact O-CD 3.19Å; G275-S279 WeakPolarHBondContact O-CB 3.38Å; G275-S279 PolarHBondContact O-N 3.08Å; G275-S279 VanDerWaalsContact O-N 3.08Å; G275-S279 PolarHBondContact O-OG 2.9Å
276	F	64.1	Low	65.4	Low	53 Å²	53	65.8 Å²	65.8	23%	0.232	33%	0.328	C	S	.	.	H	α-helix	trans	-56.8	-49.3	169.2	177.4	-100.7	0	0	0	111	V233 S236 Y273 S279 F280	V233-F276 HydrophobicContact CB-CE2 4.48Å; V233-F276 HydrophobicContact CG2-CE2 3.83Å; V233-F276 HydrophobicContact CG2-CZ 4.01Å; S236-F276 WeakPolarHBondContact OG-CD2 3.36Å; Y273-F276 HydrophobicContact CD1-CB 4.37Å; Y273-F276 HydrophobicContact CD1-CD2 4.36Å; Y273-F276 HydrophobicContact CD1-CG 4.48Å; Y273-F276 VanDerWaalsContact O-CB 3.28Å; Y273-F276 WeakPolarHBondContact O-CB 3.38Å; Y273-F276 PolarHBondContact O-N 3.08Å; F276-S279 CarbonylContact O-C 3.54Å; F276-S279 WeakPolarHBondContact O-CA 3.41Å; F276-S279 WeakPolarHBondContact O-CB 3.27Å; F276-S279 PolarHBondContact O-N 2.86Å; F276-F280 HydrophobicContact CE1-CB 4.25Å; F276-F280 HydrophobicContact CE1-CD2 4.29Å; F276-F280 HydrophobicContact CE1-CG 4.42Å; F276-F280 HydrophobicContact CZ-CB 4.35Å; F276-F280 AromaticContact CZ-CD2 3.93Å; F276-F280 HydrophobicContact CZ-CD2 3.93Å; F276-F280 HydrophobicContact CZ-CG 4.45Å; F276-F280 WeakPolarHBondContact O-CB 3.39Å; F276-F280 PolarHBondContact O-N 3.46Å
277	M	58.2	Low	64.7	Low	120 Å²	120	59.7 Å²	59.7	59%	0.591	30%	0.303	S	S	*	.	H	α-helix	trans	-64.5	-43.7	-174.7	-153.5	51.5	131.1	0	0	114	S279 F280 L281	M277-S279 VanDerWaalsContact C-N 3.33Å; M277-S279 PolarHBondContact O-N 3.13Å; M277-F280 PolarHBondContact O-N 3.43Å; M277-F280 HydrophobicContact SD-CD1 4.4Å; M277-L281 HydrophobicContact CG-CD1 4.46Å; M277-L281 WeakPolarHBondContact O-CB 3.31Å; M277-L281 PolarHBondContact O-N 3.49Å
278	P	60.2	Low	64.2	Low	18 Å²	18	61.4 Å²	61.4	12%	0.117	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-37.4	167.6	-23.1	31.3	0	0	0	113.8	K38 L41 V64 G275 R282	K38-P278 HydrophobicContact CB-CB 4.1Å; K38-P278 HydrophobicContact CG-CB 4.08Å; L41-P278 HydrophobicContact CD1-CG 3.85Å; V64-P278 HydrophobicContact CG2-CB 3.9Å; V64-P278 HydrophobicContact CG2-CG 3.8Å; G275-P278 WeakPolarHBondContact O-CD 3.19Å; P278-R282 WeakPolarHBondContact O-CB 3.46Å; P278-R282 PolarHBondContact O-N 3.04Å
279	S	62.3	Low	63.3	Low	8 Å²	8	62 Å²	62	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-67.7	-41.6	178	-60.1	0	0	0	0	112.3	K38 G275 F276 M277 R282 L283	K38-S279 WeakPolarHBondContact CE-OG 2.85Å; K38-S279 PolarHBondContact NZ-OG 2.66Å; G275-S279 WeakPolarHBondContact O-CB 3.38Å; G275-S279 PolarHBondContact O-N 3.08Å; G275-S279 VanDerWaalsContact O-N 3.08Å; G275-S279 PolarHBondContact O-OG 2.9Å; F276-S279 CarbonylContact O-C 3.54Å; F276-S279 WeakPolarHBondContact O-CA 3.41Å; F276-S279 WeakPolarHBondContact O-CB 3.27Å; F276-S279 PolarHBondContact O-N 2.86Å; M277-S279 VanDerWaalsContact C-N 3.33Å; M277-S279 PolarHBondContact O-N 3.13Å; S279-R282 PolarHBondContact O-N 3.23Å; S279-L283 WeakPolarHBondContact O-CB 3.41Å; S279-L283 PolarHBondContact O-N 2.91Å
280	F	65.8	Low	62.6	Low	81 Å²	81	62 Å²	62	36%	0.355	31%	0.31	S	S	.	.	H	α-helix	trans	-66.2	-46.9	176.6	-176.9	-90.9	0	0	0	111.1	L229 F276 M277 R282 L283 G284	L229-F280 HydrophobicContact CD2-CD2 4.15Å; L229-F280 HydrophobicContact CD2-CE2 3.46Å; L229-F280 VanDerWaalsContact CD2-CE2 3.46Å; L229-F280 HydrophobicContact CD2-CZ 4.11Å; F276-F280 HydrophobicContact CE1-CB 4.25Å; F276-F280 HydrophobicContact CE1-CD2 4.29Å; F276-F280 HydrophobicContact CE1-CG 4.42Å; F276-F280 HydrophobicContact CZ-CB 4.35Å; F276-F280 AromaticContact CZ-CD2 3.93Å; F276-F280 HydrophobicContact CZ-CD2 3.93Å; F276-F280 HydrophobicContact CZ-CG 4.45Å; F276-F280 WeakPolarHBondContact O-CB 3.39Å; F276-F280 PolarHBondContact O-N 3.46Å; M277-F280 PolarHBondContact O-N 3.43Å; M277-F280 HydrophobicContact SD-CD1 4.4Å; F280-R282 VanDerWaalsContact C-N 3.31Å; F280-R282 PolarHBondContact O-N 3.19Å; F280-L283 PolarHBondContact O-N 2.74Å; F280-G284 PolarHBondContact O-N 3.01Å
281	L	62.5	Low	61.9	Low	70 Å²	70	58.8 Å²	58.8	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-41	174.9	-110.3	127.5	0	0	0	112.2	M277 S285	M277-L281 HydrophobicContact CG-CD1 4.46Å; M277-L281 WeakPolarHBondContact O-CB 3.31Å; M277-L281 PolarHBondContact O-N 3.49Å; L281-S285 VanDerWaalsContact O-CB 3.27Å; L281-S285 WeakPolarHBondContact O-CB 3.08Å; L281-S285 PolarHBondContact O-N 3.1Å; L281-S285 PolarHBondContact O-OG 3.36Å
282	R	63	Low	61.5	Low	79 Å²	79	62.3 Å²	62.3	30%	0.298	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-44.4	175.9	-174.2	-164.5	105	104.5	-1.2	111.7	D35 P278 S279 F280 S285 W286	D35-R282 WeakPolarHBondContact OD1-CD 3.49Å; D35-R282 WeakPolarHBondContact OD1-CG 3.49Å; D35-R282 IonicContact OD1-CZ 2.78Å; D35-R282 IonicContact OD1-NE 2.97Å; D35-R282 IonicContact OD1-NH1 3.18Å; D35-R282 PolarHBondContact OD1-NH1 3.37Å; D35-R282 IonicContact OD2-NH1 2.69Å; P278-R282 WeakPolarHBondContact O-CB 3.46Å; P278-R282 PolarHBondContact O-N 3.04Å; S279-R282 PolarHBondContact O-N 3.23Å; F280-R282 VanDerWaalsContact C-N 3.31Å; F280-R282 PolarHBondContact O-N 3.19Å; R282-S285 WeakPolarHBondContact CA-OG 3.49Å; R282-S285 PolarHBondContact O-OG 3.49Å; R282-S285 VanDerWaalsContact O-OG 3.1Å; R282-W286 WeakPolarHBondContact O-CB 3.47Å; R282-W286 PolarHBondContact O-N 3.48Å
283	L	61.3	Low	61	Low	39 Å²	39	62.4 Å²	62.4	20%	0.204	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-45.5	177.6	-164.1	96	0	0	0	111.2	L229 T232 S279 F280 W286 N287	L229-L283 HydrophobicContact CD2-CD2 4.41Å; T232-L283 HydrophobicContact CG2-CD2 4.34Å; T232-L283 WeakPolarHBondContact OG1-CD2 3.26Å; S279-L283 WeakPolarHBondContact O-CB 3.41Å; S279-L283 PolarHBondContact O-N 2.91Å; F280-L283 PolarHBondContact O-N 2.74Å; L283-W286 PolarHBondContact O-N 3.49Å; L283-N287 WeakPolarHBondContact O-CB 3.36Å; L283-N287 PolarHBondContact O-N 3.12Å
284	G	59.3	Low	60.4	Low	23 Å²	23	63.5 Å²	63.5	24%	0.237	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-50.3	177.4	0	0	0	0	0	111.9	F280 N287 V288	F280-G284 PolarHBondContact O-N 3.01Å; G284-N287 PolarHBondContact O-N 3.32Å; G284-V288 WeakPolarHBondContact O-CB 3.3Å; G284-V288 VanDerWaalsContact O-CG2 3.23Å; G284-V288 WeakPolarHBondContact O-CG2 3.16Å; G284-V288 PolarHBondContact O-N 3.38Å
285	S	59.7	Low	60.2	Low	29 Å²	29	61.1 Å²	61.1	20%	0.203	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-42.6	177.6	53.7	0	0	0	0	112.6	L281 R282 V288 V289	L281-S285 VanDerWaalsContact O-CB 3.27Å; L281-S285 WeakPolarHBondContact O-CB 3.08Å; L281-S285 PolarHBondContact O-N 3.1Å; L281-S285 PolarHBondContact O-OG 3.36Å; R282-S285 WeakPolarHBondContact CA-OG 3.49Å; R282-S285 PolarHBondContact O-OG 3.49Å; R282-S285 VanDerWaalsContact O-OG 3.1Å; S285-V288 PolarHBondContact O-N 2.92Å; S285-V289 WeakPolarHBondContact O-CB 3.35Å; S285-V289 VanDerWaalsContact O-CG2 3.24Å; S285-V289 WeakPolarHBondContact O-CG2 3.29Å; S285-V289 PolarHBondContact O-N 3.36Å
286	W	62.4	Low	60.4	Low	96 Å²	96	65.5 Å²	65.5	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-44.1	176.6	-175.5	86.7	0	0	0	112	T31 R282 L283 V289 M290	T31-W286 HydrophobicContact CG2-CB 4.47Å; R282-W286 WeakPolarHBondContact O-CB 3.47Å; R282-W286 PolarHBondContact O-N 3.48Å; L283-W286 PolarHBondContact O-N 3.49Å; W286-V289 PolarHBondContact O-N 3.34Å; W286-M290 HydrophobicContact CH2-SD 3.38Å; W286-M290 WeakPolarHBondContact CH2-SD 3.47Å; W286-M290 HydrophobicContact CZ2-SD 3.98Å; W286-M290 HydrophobicContact CZ3-SD 3.68Å; W286-M290 VanDerWaalsContact O-CB 3.28Å; W286-M290 WeakPolarHBondContact O-CB 3.39Å; W286-M290 PolarHBondContact O-N 3.37Å
287	N	60.5	Low	60.2	Low	44 Å²	44	65.8 Å²	65.8	24%	0.235	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-44.8	175.8	-94	-12	0	0	0	112.1	L283 G284 V289 M290 F291	L283-N287 WeakPolarHBondContact O-CB 3.36Å; L283-N287 PolarHBondContact O-N 3.12Å; G284-N287 PolarHBondContact O-N 3.32Å; N287-V289 PolarHBondContact O-N 3.41Å; N287-M290 PolarHBondContact O-N 2.93Å; N287-F291 VanDerWaalsContact O-CB 3.26Å; N287-F291 WeakPolarHBondContact O-CB 3.35Å; N287-F291 PolarHBondContact O-N 3.35Å
288	V	59.5	Low	60.2	Low	88 Å²	88	64.5 Å²	64.5	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-47.1	177.9	170.4	0	0	0	0	110.5	G284 S285 F291 V292	G284-V288 WeakPolarHBondContact O-CB 3.3Å; G284-V288 VanDerWaalsContact O-CG2 3.23Å; G284-V288 WeakPolarHBondContact O-CG2 3.16Å; G284-V288 PolarHBondContact O-N 3.38Å; S285-V288 PolarHBondContact O-N 2.92Å; V288-F291 PolarHBondContact O-N 3.05Å; V288-V292 HydrophobicContact CG1-CG2 4.35Å; V288-V292 WeakPolarHBondContact O-CB 3.04Å; V288-V292 VanDerWaalsContact O-CG2 3.24Å; V288-V292 WeakPolarHBondContact O-CG2 3.35Å; V288-V292 PolarHBondContact O-N 3.4Å
289	V	61.1	Low	60.3	Low	32 Å²	32	70.5 Å²	70.5	19%	0.194	34%	0.339	C	S	.	.	H	α-helix	trans	-67	-43.3	-179.2	174.9	0	0	0	0	111.4	A27 L30 S285 W286 N287 F291 T293	A27-V289 HydrophobicContact CB-CG1 3.76Å; L30-V289 HydrophobicContact CD1-CG1 4.24Å; S285-V289 WeakPolarHBondContact O-CB 3.35Å; S285-V289 VanDerWaalsContact O-CG2 3.24Å; S285-V289 WeakPolarHBondContact O-CG2 3.29Å; S285-V289 PolarHBondContact O-N 3.36Å; W286-V289 PolarHBondContact O-N 3.34Å; N287-V289 PolarHBondContact O-N 3.41Å; V289-F291 VanDerWaalsContact C-N 3.31Å; V289-F291 PolarHBondContact O-N 2.92Å; V289-T293 VanDerWaalsContact O-CB 3.28Å; V289-T293 WeakPolarHBondContact O-CB 3.28Å; V289-T293 PolarHBondContact O-N 2.99Å; V289-T293 PolarHBondContact O-OG1 3.5Å
290	M	57.4	Low	60.4	Low	97 Å²	97	73.1 Å²	73.1	48%	0.478	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-44.8	175.7	-178.4	-177.4	175.2	0	0	111.1	W286 N287 T293 Y294	W286-M290 HydrophobicContact CH2-SD 3.38Å; W286-M290 WeakPolarHBondContact CH2-SD 3.47Å; W286-M290 HydrophobicContact CZ2-SD 3.98Å; W286-M290 HydrophobicContact CZ3-SD 3.68Å; W286-M290 VanDerWaalsContact O-CB 3.28Å; W286-M290 WeakPolarHBondContact O-CB 3.39Å; W286-M290 PolarHBondContact O-N 3.37Å; N287-M290 PolarHBondContact O-N 2.93Å; M290-T293 PolarHBondContact O-N 3.05Å; M290-Y294 VanDerWaalsContact O-CB 3.28Å; M290-Y294 WeakPolarHBondContact O-CB 3.24Å; M290-Y294 PolarHBondContact O-N 2.97Å
291	F	56.7	Low	60.2	Low	76 Å²	76	72.6 Å²	72.6	33%	0.333	36%	0.362	S	S	.	.	H	α-helix	trans	-68.4	-48.2	-177.4	-170.5	-95.4	0	0	0	112.3	F221 N287 V288 V289 T293 Y294 E295	F221-F291 HydrophobicContact CD1-CD2 4.42Å; F221-F291 AromaticContact CD1-CE2 3.93Å; F221-F291 HydrophobicContact CD1-CE2 3.93Å; F221-F291 HydrophobicContact CD2-CE2 4.14Å; F221-F291 HydrophobicContact CE1-CD2 4.25Å; F221-F291 AromaticContact CE1-CE2 3.78Å; F221-F291 HydrophobicContact CE1-CE2 3.78Å; F221-F291 HydrophobicContact CE2-CE2 4.01Å; F221-F291 HydrophobicContact CG-CE2 4.14Å; F221-F291 AromaticContact CZ-CE2 3.84Å; F221-F291 HydrophobicContact CZ-CE2 3.84Å; N287-F291 VanDerWaalsContact O-CB 3.26Å; N287-F291 WeakPolarHBondContact O-CB 3.35Å; N287-F291 PolarHBondContact O-N 3.35Å; V288-F291 PolarHBondContact O-N 3.05Å; V289-F291 VanDerWaalsContact C-N 3.31Å; V289-F291 PolarHBondContact O-N 2.92Å; F291-T293 VanDerWaalsContact C-N 3.27Å; F291-T293 PolarHBondContact O-N 2.98Å; F291-Y294 PolarHBondContact O-N 3.41Å; F291-E295 HydrophobicContact CD1-CG 4.27Å; F291-E295 VanDerWaalsContact CE1-CD 3.49Å; F291-E295 HydrophobicContact CE1-CG 3.82Å; F291-E295 VanDerWaalsContact CE1-OE1 3.27Å; F291-E295 WeakPolarHBondContact CE1-OE1 3.42Å; F291-E295 HydrophobicContact CZ-CG 4.1Å; F291-E295 WeakPolarHBondContact CZ-OE1 3.43Å; F291-E295 PolarHBondContact O-N 3.42Å
292	V	59.9	Low	60.1	Low	76 Å²	76	74.4 Å²	74.4	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-58.4	-44.2	176.1	171.5	0	0	0	0	110.1	V288 E295 Q296	V288-V292 HydrophobicContact CG1-CG2 4.35Å; V288-V292 WeakPolarHBondContact O-CB 3.04Å; V288-V292 VanDerWaalsContact O-CG2 3.24Å; V288-V292 WeakPolarHBondContact O-CG2 3.35Å; V288-V292 PolarHBondContact O-N 3.4Å; V292-E295 PolarHBondContact O-N 3.02Å; V292-Q296 HydrophobicContact CG1-CG 4.49Å; V292-Q296 WeakPolarHBondContact O-CG 3.35Å; V292-Q296 PolarHBondContact O-N 2.86Å
293	T	57.7	Low	60.2	Low	25 Å²	25	73.3 Å²	73.3	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-66.9	-41	-180	-49.9	0	0	0	0	111.6	A23 V289 M290 F291 Q296 L297	A23-T293 HydrophobicContact CB-CG2 3.51Å; V289-T293 VanDerWaalsContact O-CB 3.28Å; V289-T293 WeakPolarHBondContact O-CB 3.28Å; V289-T293 PolarHBondContact O-N 2.99Å; V289-T293 PolarHBondContact O-OG1 3.5Å; M290-T293 PolarHBondContact O-N 3.05Å; F291-T293 VanDerWaalsContact C-N 3.27Å; F291-T293 PolarHBondContact O-N 2.98Å; T293-Q296 PolarHBondContact O-N 2.97Å; T293-L297 WeakPolarHBondContact O-CB 3.26Å; T293-L297 PolarHBondContact O-N 3.38Å
294	Y	56.1	Low	60.3	Low	138 Å²	138	74 Å²	74	54%	0.541	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-43.3	177	-177.6	-102.3	0	0	0	112.6	M290 F291 L297 K298	M290-Y294 VanDerWaalsContact O-CB 3.28Å; M290-Y294 WeakPolarHBondContact O-CB 3.24Å; M290-Y294 PolarHBondContact O-N 2.97Å; F291-Y294 PolarHBondContact O-N 3.41Å; Y294-L297 PolarHBondContact O-N 3.22Å; Y294-K298 WeakPolarHBondContact O-CB 3.14Å; Y294-K298 PolarHBondContact O-N 3.36Å
295	E	57.9	Low	60.3	Low	74 Å²	74	78 Å²	78	35%	0.346	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-43.3	175.9	-80.1	-157.3	160.9	0	0	112.1	F291 V292 K298 R299	F291-E295 HydrophobicContact CD1-CG 4.27Å; F291-E295 VanDerWaalsContact CE1-CD 3.49Å; F291-E295 HydrophobicContact CE1-CG 3.82Å; F291-E295 VanDerWaalsContact CE1-OE1 3.27Å; F291-E295 WeakPolarHBondContact CE1-OE1 3.42Å; F291-E295 HydrophobicContact CZ-CG 4.1Å; F291-E295 WeakPolarHBondContact CZ-OE1 3.43Å; F291-E295 PolarHBondContact O-N 3.42Å; V292-E295 PolarHBondContact O-N 3.02Å; E295-K298 PolarHBondContact O-N 3.4Å; E295-R299 WeakPolarHBondContact O-CB 3.16Å; E295-R299 VanDerWaalsContact O-CG 3.29Å; E295-R299 WeakPolarHBondContact O-CG 3.21Å; E295-R299 PolarHBondContact O-N 2.95Å; E295-R299 IonicContact OE2-NH2 3.5Å; E295-R299 PolarHBondContact OE2-NH2 3.5Å
296	Q	62.6	Low	60.1	Low	109 Å²	109	83 Å²	83	51%	0.509	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-40.7	178.2	-66.2	-63.2	-6.6	0	0	111.4	V292 T293 K298 R299 A300	V292-Q296 HydrophobicContact CG1-CG 4.49Å; V292-Q296 WeakPolarHBondContact O-CG 3.35Å; V292-Q296 PolarHBondContact O-N 2.86Å; T293-Q296 PolarHBondContact O-N 2.97Å; Q296-K298 PolarHBondContact O-N 3.45Å; Q296-R299 PolarHBondContact O-N 2.82Å; Q296-A300 WeakPolarHBondContact O-CB 3.31Å; Q296-A300 PolarHBondContact O-N 3.07Å
297	L	60.3	Low	59.7	Low	59 Å²	59	81.9 Å²	81.9	31%	0.309	43%	0.432	S	S	.	.	H	α-helix	trans	-63.3	-42.1	175	-126	87.4	0	0	0	112	T293 Y294 A300 L301	T293-L297 WeakPolarHBondContact O-CB 3.26Å; T293-L297 PolarHBondContact O-N 3.38Å; Y294-L297 PolarHBondContact O-N 3.22Å; L297-A300 PolarHBondContact O-N 3.27Å; L297-L301 WeakPolarHBondContact O-CB 3.41Å; L297-L301 PolarHBondContact O-N 2.78Å
298	K	57.2	Low	59.1	Low	93 Å²	93	88.7 Å²	88.7	40%	0.404	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-43.4	177.3	-172.2	-178.1	176.1	-177	0	111.2	Y294 E295 Q296 L301 M302	Y294-K298 WeakPolarHBondContact O-CB 3.14Å; Y294-K298 PolarHBondContact O-N 3.36Å; E295-K298 PolarHBondContact O-N 3.4Å; Q296-K298 PolarHBondContact O-N 3.45Å; K298-L301 PolarHBondContact O-N 3.03Å; K298-M302 HydrophobicContact CG-CE 4.26Å; K298-M302 WeakPolarHBondContact O-CG 3.4Å; K298-M302 PolarHBondContact O-N 2.65Å
299	R	62.8	Low	58.8	Low	145 Å²	145	87.7 Å²	87.7	55%	0.547	46%	0.455	S	S	.	.	H	α-helix	trans	-62.5	-43.5	175.6	-72.4	176.5	-166.4	-153.7	7.9	111.6	E295 Q296 M302 A303	E295-R299 WeakPolarHBondContact O-CB 3.16Å; E295-R299 VanDerWaalsContact O-CG 3.29Å; E295-R299 WeakPolarHBondContact O-CG 3.21Å; E295-R299 PolarHBondContact O-N 2.95Å; E295-R299 IonicContact OE2-NH2 3.5Å; E295-R299 PolarHBondContact OE2-NH2 3.5Å; Q296-R299 PolarHBondContact O-N 2.82Å; R299-M302 PolarHBondContact O-N 3.48Å; R299-A303 WeakPolarHBondContact O-CB 3.26Å; R299-A303 PolarHBondContact O-N 2.86Å
300	A	65.1	Low	58.3	Low	62 Å²	62	90.1 Å²	90.1	51%	0.512	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-41.7	177.1	0	0	0	0	0	112.5	Q296 L297 A303 A304	Q296-A300 WeakPolarHBondContact O-CB 3.31Å; Q296-A300 PolarHBondContact O-N 3.07Å; L297-A300 PolarHBondContact O-N 3.27Å; A300-A303 PolarHBondContact O-N 3.24Å; A300-A304 WeakPolarHBondContact O-CB 3.39Å; A300-A304 PolarHBondContact O-N 3.45Å
301	L	62	Low	57.9	Low	71 Å²	71	92.9 Å²	92.9	37%	0.372	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-39.7	175	-87	159.4	0	0	0	112.7	V15 L297 K298 A304 N305	V15-L301 HydrophobicContact CG1-CD1 4.03Å; V15-L301 HydrophobicContact CG1-CD2 3.91Å; L297-L301 WeakPolarHBondContact O-CB 3.41Å; L297-L301 PolarHBondContact O-N 2.78Å; K298-L301 PolarHBondContact O-N 3.03Å; L301-A304 PolarHBondContact O-N 2.86Å; L301-N305 PolarHBondContact O-N 3.43Å
302	M	60.1	Low	57.2	Low	107 Å²	107	99.1 Å²	99.1	53%	0.527	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-41.4	175	-73.5	-166.6	-64.5	0	0	111.7	K298 R299 N305 H306	K298-M302 HydrophobicContact CG-CE 4.26Å; K298-M302 WeakPolarHBondContact O-CG 3.4Å; K298-M302 PolarHBondContact O-N 2.65Å; R299-M302 PolarHBondContact O-N 3.48Å; M302-N305 PolarHBondContact O-N 2.86Å; M302-H306 PolarHBondContact O-N 3.36Å
303	A	64.3	Low	57.1	Low	57 Å²	57	100.3 Å²	100.3	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-61.6	-45.2	174	0	0	0	0	0	111.6	R299 A300 N305 H306 S307	R299-A303 WeakPolarHBondContact O-CB 3.26Å; R299-A303 PolarHBondContact O-N 2.86Å; A300-A303 PolarHBondContact O-N 3.24Å; A303-N305 PolarHBondContact O-N 3.29Å; A303-H306 PolarHBondContact O-N 2.97Å; A303-S307 PolarHBondContact O-N 2.92Å; A303-S307 PolarHBondContact O-OG 3.37Å
304	A	63.3	Low	57.1	Low	54 Å²	54	104.3 Å²	104.3	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-39.4	178.7	0	0	0	0	0	113.1	A300 L301 S307 R308	A300-A304 WeakPolarHBondContact O-CB 3.39Å; A300-A304 PolarHBondContact O-N 3.45Å; L301-A304 PolarHBondContact O-N 2.86Å; A304-S307 PolarHBondContact O-N 2.71Å; A304-R308 WeakPolarHBondContact O-CB 3.22Å; A304-R308 PolarHBondContact O-N 3.04Å; A304-R308 VanDerWaalsContact O-N 3.07Å
305	N	59.4	Low	57.1	Low	107 Å²	107	102.4 Å²	102.4	57%	0.572	56%	0.555	S	S	*	*	H	α-helix	trans	-67.4	-35.5	174.4	-90	-4.4	0	0	0	112.3	L301 M302 A303 R308 A309	L301-N305 PolarHBondContact O-N 3.43Å; M302-N305 PolarHBondContact O-N 2.86Å; A303-N305 PolarHBondContact O-N 3.29Å; N305-R308 PolarHBondContact O-N 3.5Å; N305-A309 WeakPolarHBondContact O-CB 3.39Å; N305-A309 PolarHBondContact O-N 2.76Å
306	H	55.6	Low	57.1	Low	134 Å²	134	104.1 Å²	104.1	62%	0.62	57%	0.567	S	S	*	*	H	α-helix	trans	-68	-41.6	175.5	-131.3	52	0	0	0	111.9	M302 A303 R308 A309 A310	M302-H306 PolarHBondContact O-N 3.36Å; A303-H306 PolarHBondContact O-N 2.97Å; H306-R308 VanDerWaalsContact C-N 3.27Å; H306-R308 PolarHBondContact O-N 3.37Å; H306-A309 PolarHBondContact O-N 2.95Å; H306-A310 WeakPolarHBondContact O-CB 3.19Å; H306-A310 PolarHBondContact O-N 2.68Å
307	S	55.1	Low	56.7	Low	71 Å²	71	103.8 Å²	103.8	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-62.4	-34.7	173.9	-52.3	0	0	0	0	112.5	A303 A304 L311	A303-S307 PolarHBondContact O-N 2.92Å; A303-S307 PolarHBondContact O-OG 3.37Å; A304-S307 PolarHBondContact O-N 2.71Å; S307-L311 WeakPolarHBondContact O-CD1 3.34Å; S307-L311 WeakPolarHBondContact O-CG 3.24Å; S307-L311 PolarHBondContact O-N 3.03Å
308	R	47.2	Very low	56.5	Low	187 Å²	187	106.7 Å²	106.7	71%	0.706	59%	0.588	S	S	*	*	H	α-helix	trans	-76.4	-33	179.3	-143.7	175.9	-178.9	176.4	-0.7	112.9	A304 N305 H306	A304-R308 WeakPolarHBondContact O-CB 3.22Å; A304-R308 PolarHBondContact O-N 3.04Å; A304-R308 VanDerWaalsContact O-N 3.07Å; N305-R308 PolarHBondContact O-N 3.5Å; H306-R308 VanDerWaalsContact C-N 3.27Å; H306-R308 PolarHBondContact O-N 3.37Å
309	A	52.4	Low	56.4	Low	67 Å²	67	107.7 Å²	107.7	55%	0.554	60%	0.601	S	S	*	*	H	α-helix	trans	-75.5	-24.3	172.9	0	0	0	0	0	113	N305 H306	N305-A309 WeakPolarHBondContact O-CB 3.39Å; N305-A309 PolarHBondContact O-N 2.76Å; H306-A309 PolarHBondContact O-N 2.95Å
310	A	51.8	Low	55.9	Low	84 Å²	84	104.8 Å²	104.8	69%	0.694	61%	0.605	S	S	*	*	S	Bend	trans	-83.1	-9.6	174.7	0	0	0	0	0	114	H306	H306-A310 WeakPolarHBondContact O-CB 3.19Å; H306-A310 PolarHBondContact O-N 2.68Å
311	L	48.4	Very low	55.2	Low	154 Å²	154	108.4 Å²	108.4	81%	0.806	61%	0.613	S	S	*	*			trans	-103.6	-0.7	179	-80	169.1	0	0	0	113.5	S307	S307-L311 WeakPolarHBondContact O-CD1 3.34Å; S307-L311 WeakPolarHBondContact O-CG 3.24Å; S307-L311 PolarHBondContact O-N 3.03Å
312	L	42.3	Very low	54.5	Low	208 Å²	208	111.8 Å²	111.8	100%	1.089	64%	0.635	S	S	*	*			trans	-108.3	0	172.1	-77.8	169.3	0	0	0	109.3

Retrieved 312 of 312 residues in 80 ms (Link to these results)

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