A0A096NG18_PAPAN Loading...

Mal, T cell differentiation protein 2

AlphaFold DB (A0A2K5L2E9), UniProt , Accession A0A096NG18, Species PAPAN (Papio anubis, Olive baboon), Gene MAL2, Length 176 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	44.9	Very low	59.9	Low	253 Å²	253	118.6 Å²	118.6	100%	1.246	83%	0.825	S	S	*	*				0	130.2	0	-77.3	165.9	142.2	0	0	107.7
2	S	48.9	Very low	60.1	Low	123 Å²	123	119 Å²	119	86%	0.86	82%	0.823	S	S	*	*			trans	-69.8	133.5	-160.2	-165.4	0	0	0	0	113.5	G4	S2-G4 PolarHBondContact O-N 3.13Å
3	A	51.2	Low	60.6	Low	96 Å²	96	121.5 Å²	121.5	79%	0.793	82%	0.822	S	S	*	*			trans	-75.5	114.1	169	0	0	0	0	0	108.9	G5	A3-G5 PolarHBondContact O-N 3.42Å; A3-G5 VanDerWaalsContact O-N 3.13Å
4	G	50.4	Low	60.7	Low	79 Å²	79	120.8 Å²	120.8	81%	0.814	82%	0.815	S	S	*	*			trans	-66.4	106.9	175.4	0	0	0	0	0	110.7	S2 A6	S2-G4 PolarHBondContact O-N 3.13Å; G4-A6 PolarHBondContact O-N 3.33Å
5	G	54.2	Low	60.6	Low	77 Å²	77	118.5 Å²	118.5	79%	0.794	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67	117.7	171.5	0	0	0	0	0	110.1	A3 S7	A3-G5 PolarHBondContact O-N 3.42Å; A3-G5 VanDerWaalsContact O-N 3.13Å; G5-S7 PolarHBondContact O-N 3.29Å
6	A	63	Low	60	Low	97 Å²	97	117.9 Å²	117.9	80%	0.802	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64.5	127	171	0	0	0	0	0	109.5	G4 V8	G4-A6 PolarHBondContact O-N 3.33Å; A6-V8 PolarHBondContact O-N 3.41Å
7	S	64.6	Low	59.6	Low	115 Å²	115	117.4 Å²	117.4	80%	0.804	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-64.4	119.1	174.8	52.4	0	0	0	0	110	G5	G5-S7 PolarHBondContact O-N 3.29Å
8	V	71.9	Confident	59	Low	131 Å²	131	118.2 Å²	118.2	79%	0.794	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60	132.2	172.5	-180	0	0	0	0	108.7	A6	A6-V8 PolarHBondContact O-N 3.41Å
9	P	70.1	Confident	58.9	Low	102 Å²	102	117.6 Å²	117.6	66%	0.662	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63	146.4	176.6	25.3	-32.4	0	0	0	110.4
10	P	69.9	Low	58.9	Low	117 Å²	117	115.6 Å²	115.6	76%	0.76	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-59.2	145.1	178.4	24.8	-32.2	0	0	0	110.2
11	P	70.1	Confident	58.8	Low	115 Å²	115	112.3 Å²	112.3	75%	0.747	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-56.4	143.3	176.4	23.1	-31.8	0	0	0	109.9	N13	P11-N13 PolarHBondContact O-N 2.91Å
12	P	62.8	Low	59.7	Low	123 Å²	123	108.7 Å²	108.7	80%	0.799	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-55.1	126.9	177	21.6	-30.4	0	0	0	108.6
13	N	65.8	Low	60.5	Low	152 Å²	152	104.9 Å²	104.9	81%	0.813	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-49.4	129.4	177.8	-136.3	3.7	0	0	0	107.6	P11 A15	P11-N13 PolarHBondContact O-N 2.91Å; N13-A15 PolarHBondContact O-N 3.37Å
14	P	62.7	Low	61.7	Low	111 Å²	111	104.7 Å²	104.7	72%	0.721	68%	0.683	S	S	*	*			trans	-57.4	109.3	173	22.2	-29.1	0	0	0	105.9	V16	P14-V16 PolarHBondContact O-N 3.46Å; P14-V16 VanDerWaalsContact O-N 3.13Å
15	A	58.2	Low	62.7	Low	86 Å²	86	101.8 Å²	101.8	71%	0.711	65%	0.649	S	S	*	*			trans	-48.4	128.1	171.1	0	0	0	0	0	105.8	N13 S17	N13-A15 PolarHBondContact O-N 3.37Å; A15-S17 PolarHBondContact O-N 2.86Å
16	V	51.6	Low	63.6	Low	110 Å²	110	100.8 Å²	100.8	67%	0.667	63%	0.629	S	S	*	*			trans	-57.2	94.8	175.3	-179.3	0	0	0	0	105.6	P14 F18	P14-V16 PolarHBondContact O-N 3.46Å; P14-V16 VanDerWaalsContact O-N 3.13Å; V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 HydrophobicContact CB-CE2 4.04Å; V16-F18 HydrophobicContact CB-CZ 4.32Å; V16-F18 HydrophobicContact CG1-CD1 4.31Å; V16-F18 HydrophobicContact CG1-CD2 4.09Å; V16-F18 HydrophobicContact CG1-CE1 3.89Å; V16-F18 HydrophobicContact CG1-CE2 3.64Å; V16-F18 HydrophobicContact CG1-CG 4.4Å; V16-F18 HydrophobicContact CG1-CZ 3.54Å; V16-F18 WeakPolarHBondContact O-CD2 3.28Å; V16-F18 PolarHBondContact O-N 3.24Å
17	S	53.3	Low	64.4	Low	109 Å²	109	97.7 Å²	97.7	76%	0.762	60%	0.603	S	S	*	*			trans	-76.4	93.1	178.5	60.6	0	0	0	0	104.8	A15	A15-S17 PolarHBondContact O-N 2.86Å
18	F	49.4	Very low	65.1	Low	132 Å²	132	92.8 Å²	92.8	58%	0.579	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-61.2	140.5	169.9	-68.9	-79.5	0	0	0	108.2	V16 A20 E95	V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 HydrophobicContact CB-CE2 4.04Å; V16-F18 HydrophobicContact CB-CZ 4.32Å; V16-F18 HydrophobicContact CG1-CD1 4.31Å; V16-F18 HydrophobicContact CG1-CD2 4.09Å; V16-F18 HydrophobicContact CG1-CE1 3.89Å; V16-F18 HydrophobicContact CG1-CE2 3.64Å; V16-F18 HydrophobicContact CG1-CG 4.4Å; V16-F18 HydrophobicContact CG1-CZ 3.54Å; V16-F18 WeakPolarHBondContact O-CD2 3.28Å; V16-F18 PolarHBondContact O-N 3.24Å; F18-A20 PolarHBondContact O-N 3.21Å; F18-E95 WeakPolarHBondContact CB-OE2 3.48Å; F18-E95 WeakPolarHBondContact CG-OE2 3.39Å
19	P	56.8	Low	65.4	Low	107 Å²	107	91 Å²	91	70%	0.695	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-58.2	129.9	177.8	-16.9	28.3	0	0	0	109
20	A	58.8	Low	65.9	Low	77 Å²	77	90.1 Å²	90.1	64%	0.636	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-51.4	145.6	176.7	0	0	0	0	0	111.1	F18 R22	F18-A20 PolarHBondContact O-N 3.21Å; A20-R22 PolarHBondContact O-N 3.37Å; A20-R22 VanDerWaalsContact O-N 3.16Å
21	P	57.5	Low	66.3	Low	46 Å²	46	84.8 Å²	84.8	30%	0.299	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-49.8	123.5	178.7	-23.3	28.6	0	0	0	111.2	V23 E95	P21-V23 HydrophobicContact CB-CG2 4.11Å; P21-V23 PolarHBondContact O-N 3.18Å; P21-E95 HydrophobicContact CG-CG 4.27Å
22	R	61.9	Low	66.7	Low	177 Å²	177	83.2 Å²	83.2	67%	0.668	50%	0.501	S	S	*	.			trans	-87.6	94.6	174.2	-72.3	-163.8	-174.8	-155.5	3.4	109.2	A20 N99	A20-R22 PolarHBondContact O-N 3.37Å; A20-R22 VanDerWaalsContact O-N 3.16Å; R22-N99 PolarHBondContact O-OD1 3.19Å
23	V	67.7	Low	67.5	Low	44 Å²	44	87.6 Å²	87.6	27%	0.267	50%	0.502	S	S	.	.			trans	-125.4	119.4	179.2	-173.6	0	0	0	0	108.5	P21 L25 F86 V91 W98	P21-V23 HydrophobicContact CB-CG2 4.11Å; P21-V23 PolarHBondContact O-N 3.18Å; V23-L25 VanDerWaalsContact CG1-O 3.3Å; V23-L25 WeakPolarHBondContact CG1-O 3.49Å; V23-F86 HydrophobicContact CG1-CE1 4.35Å; V23-V91 HydrophobicContact CB-CG1 4.17Å; V23-V91 HydrophobicContact CG1-CG1 3.51Å; V23-V91 HydrophobicContact CG2-CG1 3.52Å; V23-W98 HydrophobicContact CG2-CB 3.87Å; V23-W98 HydrophobicContact CG2-CG 3.75Å
24	T	74.6	Confident	68.3	Low	91 Å²	91	82 Å²	82	56%	0.558	47%	0.473	S	S	*	.			trans	-95.3	-13.9	175.3	-19.6	0	0	0	0	113.3	N99	T24-N99 PolarHBondContact N-OD1 2.7Å; T24-N99 PolarHBondContact OG1-ND2 2.97Å; T24-N99 PolarHBondContact OG1-OD1 3.12Å; T24-N99 VanDerWaalsContact OG1-OD1 3.13Å
25	L	71.2	Confident	69	Low	18 Å²	18	86 Å²	86	9%	0.094	48%	0.475	C	S	.	.	S	Bend	trans	-90.1	138.6	-179.8	-81.5	156.1	0	0	0	111.5	V23 I31 F86 R173	V23-L25 VanDerWaalsContact CG1-O 3.3Å; V23-L25 WeakPolarHBondContact CG1-O 3.49Å; L25-I31 HydrophobicContact CB-CD1 4.42Å; L25-I31 HydrophobicContact CD1-CD1 4.46Å; L25-I31 HydrophobicContact CD2-CD1 4.3Å; L25-I31 HydrophobicContact CD2-CG1 4.28Å; L25-F86 HydrophobicContact CB-CD1 4.29Å; L25-F86 HydrophobicContact CB-CE1 3.75Å; L25-F86 HydrophobicContact CD1-CE1 3.86Å; L25-F86 HydrophobicContact CD1-CZ 3.9Å; L25-F86 HydrophobicContact CG-CE1 4.49Å; L25-R173 VanDerWaalsContact CG-NH1 3.33Å
26	P	75.1	Confident	70.1	Confident	56 Å²	56	82.2 Å²	82.2	36%	0.364	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-64	137	170.8	27	-31.9	0	0	0	110	D30 I31 T34	P26-D30 HydrophobicContact CB-CB 4.23Å; P26-D30 HydrophobicContact CG-CB 4.49Å; P26-I31 WeakPolarHBondContact O-CB 3.39Å; P26-T34 HydrophobicContact CG-CG2 3.55Å
27	A	78.3	Confident	71.5	Confident	32 Å²	32	77 Å²	77	26%	0.264	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-85.8	159.5	172.2	0	0	0	0	0	111	T92	A27-T92 HydrophobicContact CB-CG2 3.82Å
28	G	79.5	Confident	73.1	Confident	12 Å²	12	74 Å²	74	12%	0.124	39%	0.394	C	S	.	.	S	Bend	trans	84.6	-163.5	-178.8	0	0	0	0	0	113.4	D30 I31 F86 L87	G28-D30 PolarHBondContact O-N 3Å; G28-D30 VanDerWaalsContact O-N 3.14Å; G28-I31 VanDerWaalsContact O-CG2 3.27Å; G28-I31 WeakPolarHBondContact O-CG2 3.44Å; G28-I31 PolarHBondContact O-N 3.12Å; G28-F86 PolarHBondContact N-O 3.09Å; G28-L87 WeakPolarHBondContact CA-O 3.49Å
29	P	77.7	Confident	74.8	Confident	95 Å²	95	70.4 Å²	70.4	62%	0.617	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-64.9	-19.4	-174.9	27.3	-35	0	0	0	113.2	I31 L32	P29-I31 PolarHBondContact O-N 3.18Å; P29-L32 WeakPolarHBondContact O-CB 3.39Å; P29-L32 PolarHBondContact O-N 2.83Å; P29-L32 VanDerWaalsContact O-N 3.1Å
30	D	80.3	Confident	76.1	Confident	82 Å²	82	65.6 Å²	65.6	44%	0.439	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-64.8	-19.9	177.5	-70.8	-37.9	0	0	0	112.9	P26 G28 L32 R33	P26-D30 HydrophobicContact CB-CB 4.23Å; P26-D30 HydrophobicContact CG-CB 4.49Å; G28-D30 PolarHBondContact O-N 3Å; G28-D30 VanDerWaalsContact O-N 3.14Å; D30-L32 PolarHBondContact O-N 3.11Å; D30-R33 PolarHBondContact O-N 3.22Å; D30-R33 VanDerWaalsContact O-N 3.11Å; D30-R33 IonicContact OD1-NH1 3.27Å
31	I	79.6	Confident	77.4	Confident	6 Å²	6	64 Å²	64	3%	0.031	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-60.5	-34.2	172.8	-161.1	164.5	0	0	0	112	L25 P26 G28 P29 R33 T34 G37 L83 F86 L87	L25-I31 HydrophobicContact CB-CD1 4.42Å; L25-I31 HydrophobicContact CD1-CD1 4.46Å; L25-I31 HydrophobicContact CD2-CD1 4.3Å; L25-I31 HydrophobicContact CD2-CG1 4.28Å; P26-I31 WeakPolarHBondContact O-CB 3.39Å; G28-I31 VanDerWaalsContact O-CG2 3.27Å; G28-I31 WeakPolarHBondContact O-CG2 3.44Å; G28-I31 PolarHBondContact O-N 3.12Å; P29-I31 PolarHBondContact O-N 3.18Å; I31-R33 PolarHBondContact O-N 3.29Å; I31-T34 WeakPolarHBondContact O-CB 3.27Å; I31-T34 PolarHBondContact O-N 3.14Å; I31-T34 PolarHBondContact O-OG1 3.22Å; I31-G37 WeakPolarHBondContact O-CA 3.32Å; I31-L83 HydrophobicContact CG2-CD1 4.26Å; I31-F86 HydrophobicContact CD1-CB 3.38Å; I31-F86 HydrophobicContact CD1-CD1 3.34Å; I31-F86 HydrophobicContact CD1-CD2 4.04Å; I31-F86 HydrophobicContact CD1-CE1 4.11Å; I31-F86 HydrophobicContact CD1-CG 3.29Å; I31-F86 HydrophobicContact CG2-CB 4.35Å; I31-L87 HydrophobicContact CG2-CD2 4.3Å
32	L	78.2	Confident	78.7	Confident	81 Å²	81	65 Å²	65	42%	0.424	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-67.2	-20	180	-60.5	176.8	0	0	0	112.6	P29 D30 L83 L87	P29-L32 WeakPolarHBondContact O-CB 3.39Å; P29-L32 PolarHBondContact O-N 2.83Å; P29-L32 VanDerWaalsContact O-N 3.1Å; D30-L32 PolarHBondContact O-N 3.11Å; L32-L83 HydrophobicContact CD2-CD1 4.01Å; L32-L87 HydrophobicContact CD1-CD2 4.19Å; L32-L87 HydrophobicContact CG-CD2 4.25Å
33	R	79.1	Confident	79.9	Confident	216 Å²	216	56.5 Å²	56.5	82%	0.815	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-86.8	-8.4	174.5	-69	179.2	173	159.4	-5.6	113.1	D30 I31	D30-R33 PolarHBondContact O-N 3.22Å; D30-R33 VanDerWaalsContact O-N 3.11Å; D30-R33 IonicContact OD1-NH1 3.27Å; I31-R33 PolarHBondContact O-N 3.29Å
34	T	82.7	Confident	80.9	Confident	34 Å²	34	55.6 Å²	55.6	21%	0.209	30%	0.295	C	S	.	.	S	Bend	trans	-86.4	152	176.4	70.4	0	0	0	0	111.2	P26 I31 S36 G37 A38	P26-T34 HydrophobicContact CG-CG2 3.55Å; I31-T34 WeakPolarHBondContact O-CB 3.27Å; I31-T34 PolarHBondContact O-N 3.14Å; I31-T34 PolarHBondContact O-OG1 3.22Å; T34-S36 PolarHBondContact O-N 3.1Å; T34-G37 PolarHBondContact O-N 2.81Å; T34-G37 VanDerWaalsContact O-N 3.14Å; T34-G37 PolarHBondContact OG1-N 3.18Å; T34-G37 VanDerWaalsContact OG1-N 3.1Å; T34-A38 PolarHBondContact O-N 3.09Å
35	Y	78.6	Confident	81.5	Confident	194 Å²	194	56.4 Å²	56.4	76%	0.761	30%	0.295	S	S	*	.	H	α-helix	trans	-54.6	-39	172.7	-65.8	-71.3	0	0	0	112	A38 F39	Y35-A38 PolarHBondContact O-N 2.98Å; Y35-F39 WeakPolarHBondContact O-CD2 3.37Å; Y35-F39 PolarHBondContact O-N 2.68Å
36	S	79.9	Confident	82	Confident	7 Å²	7	57.8 Å²	57.8	5%	0.049	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-44.3	177.7	-163.1	0	0	0	0	112.3	T34 F39 V40 R173	T34-S36 PolarHBondContact O-N 3.1Å; S36-F39 PolarHBondContact O-N 3.13Å; S36-V40 WeakPolarHBondContact O-CG2 3.36Å; S36-V40 PolarHBondContact O-N 2.86Å; S36-R173 VanDerWaalsContact CB-NH1 3.28Å; S36-R173 PolarHBondContact OG-NH1 3.24Å; S36-R173 PolarHBondContact OG-NH2 3.37Å; S36-R173 VanDerWaalsContact OG-NH2 3.14Å
37	G	82.4	Confident	82.3	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-36.4	177.1	0	0	0	0	0	112.6	I31 T34 V40 C41	I31-G37 WeakPolarHBondContact O-CA 3.32Å; T34-G37 PolarHBondContact O-N 2.81Å; T34-G37 VanDerWaalsContact O-N 3.14Å; T34-G37 PolarHBondContact OG1-N 3.18Å; T34-G37 VanDerWaalsContact OG1-N 3.1Å; G37-V40 PolarHBondContact O-N 3.31Å; G37-C41 PolarHBondContact O-N 3.27Å; G37-C41 PolarHBondContact O-SG 3.36Å
38	A	85.4	Confident	82.5	Confident	46 Å²	46	53.9 Å²	53.9	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-44.2	174	0	0	0	0	0	111.9	T34 Y35 C41 L42	T34-A38 PolarHBondContact O-N 3.09Å; Y35-A38 PolarHBondContact O-N 2.98Å; A38-C41 WeakPolarHBondContact O-CB 3.32Å; A38-C41 PolarHBondContact O-N 3.15Å; A38-L42 WeakPolarHBondContact O-CG 3.03Å; A38-L42 PolarHBondContact O-N 3.17Å
39	F	84.9	Confident	82.5	Confident	56 Å²	56	56.4 Å²	56.4	25%	0.246	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-42.1	175.6	-78.9	-66.2	0	0	0	112.6	Y35 S36 C41 L42 E43 C165 S166 L169	Y35-F39 WeakPolarHBondContact O-CD2 3.37Å; Y35-F39 PolarHBondContact O-N 2.68Å; S36-F39 PolarHBondContact O-N 3.13Å; F39-C41 VanDerWaalsContact C-N 3.27Å; F39-C41 PolarHBondContact O-N 2.87Å; F39-L42 HydrophobicContact CD1-CD1 4.45Å; F39-L42 WeakPolarHBondContact O-CB 3.3Å; F39-L42 PolarHBondContact O-N 3.28Å; F39-L42 VanDerWaalsContact O-N 3.09Å; F39-E43 VanDerWaalsContact O-CG 3.26Å; F39-E43 WeakPolarHBondContact O-CG 3.47Å; F39-E43 PolarHBondContact O-N 2.86Å; F39-C165 HydrophobicContact CD1-CB 4.39Å; F39-C165 HydrophobicContact CE1-CB 4.01Å; F39-C165 HydrophobicContact CE2-CB 4.48Å; F39-C165 HydrophobicContact CZ-CB 4.07Å; F39-S166 VanDerWaalsContact CB-OG 3.29Å; F39-S166 WeakPolarHBondContact CB-OG 3.44Å; F39-L169 HydrophobicContact CD2-CD1 3.97Å; F39-L169 HydrophobicContact CE2-CD1 4.13Å
40	V	85.6	Confident	82.6	Confident	6 Å²	6	51.9 Å²	51.9	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-37.7	174.5	172.6	0	0	0	0	111.6	S36 G37 E43 I44 L83	S36-V40 WeakPolarHBondContact O-CG2 3.36Å; S36-V40 PolarHBondContact O-N 2.86Å; G37-V40 PolarHBondContact O-N 3.31Å; V40-E43 PolarHBondContact O-N 3.48Å; V40-I44 HydrophobicContact CG1-CD1 4.09Å; V40-I44 VanDerWaalsContact O-CG1 3.28Å; V40-I44 WeakPolarHBondContact O-CG1 3.34Å; V40-I44 PolarHBondContact O-N 3Å; V40-L83 HydrophobicContact CG1-CB 4.05Å; V40-L83 HydrophobicContact CG1-CD1 4.3Å
41	C	85.6	Confident	82.6	Confident	43 Å²	43	51.5 Å²	51.5	29%	0.291	25%	0.247	S	C	.	.	H	α-helix	trans	-65.1	-40.7	174.5	-65.7	0	0	0	0	112.2	G37 A38 F39 I44 L45	G37-C41 PolarHBondContact O-N 3.27Å; G37-C41 PolarHBondContact O-SG 3.36Å; A38-C41 WeakPolarHBondContact O-CB 3.32Å; A38-C41 PolarHBondContact O-N 3.15Å; F39-C41 VanDerWaalsContact C-N 3.27Å; F39-C41 PolarHBondContact O-N 2.87Å; C41-I44 PolarHBondContact O-N 3.24Å; C41-L45 WeakPolarHBondContact O-CB 3.45Å; C41-L45 PolarHBondContact O-N 3.16Å
42	L	85.6	Confident	82.7	Confident	67 Å²	67	55.2 Å²	55.2	35%	0.351	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-39.4	175.4	-69.1	175.9	0	0	0	112	A38 F39 I44 L45 F46	A38-L42 WeakPolarHBondContact O-CG 3.03Å; A38-L42 PolarHBondContact O-N 3.17Å; F39-L42 HydrophobicContact CD1-CD1 4.45Å; F39-L42 WeakPolarHBondContact O-CB 3.3Å; F39-L42 PolarHBondContact O-N 3.28Å; F39-L42 VanDerWaalsContact O-N 3.09Å; L42-I44 VanDerWaalsContact C-N 3.34Å; L42-I44 PolarHBondContact O-N 3.27Å; L42-L45 PolarHBondContact O-N 3.01Å; L42-F46 HydrophobicContact CB-CD2 4.14Å; L42-F46 HydrophobicContact CB-CE2 4.03Å; L42-F46 HydrophobicContact CD2-CE2 3.93Å; L42-F46 HydrophobicContact CD2-CZ 4.37Å; L42-F46 HydrophobicContact CG-CE2 4.44Å; L42-F46 WeakPolarHBondContact O-CB 3.48Å; L42-F46 WeakPolarHBondContact O-CD2 3.37Å; L42-F46 PolarHBondContact O-N 3.16Å
43	E	86.9	Confident	82.5	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-44.3	174.1	-72.7	165.5	-173.7	0	0	111.3	F39 V40 G47 H106 C162 Y163 S166	F39-E43 VanDerWaalsContact O-CG 3.26Å; F39-E43 WeakPolarHBondContact O-CG 3.47Å; F39-E43 PolarHBondContact O-N 2.86Å; V40-E43 PolarHBondContact O-N 3.48Å; E43-G47 VanDerWaalsContact O-CA 3.26Å; E43-G47 WeakPolarHBondContact O-CA 3.35Å; E43-G47 PolarHBondContact O-N 3.1Å; E43-H106 IonicContact OE1-CE1 3.85Å; E43-H106 IonicContact OE1-ND1 3.88Å; E43-H106 IonicContact OE2-CE1 3.54Å; E43-H106 IonicContact OE2-ND1 3.91Å; E43-C162 HydrophobicContact CG-CB 3.86Å; E43-Y163 HydrophobicContact CB-CE1 3.95Å; E43-Y163 HydrophobicContact CB-CE2 4.22Å; E43-Y163 HydrophobicContact CG-CD1 3.83Å; E43-Y163 HydrophobicContact CG-CD2 4.28Å; E43-Y163 HydrophobicContact CG-CE1 3.66Å; E43-Y163 HydrophobicContact CG-CE2 4.13Å; E43-Y163 HydrophobicContact CG-CG 4.12Å; E43-Y163 WeakPolarHBondContact OE1-CD1 3.41Å; E43-Y163 WeakPolarHBondContact OE2-CE1 3.41Å; E43-S166 WeakPolarHBondContact OE1-CB 3.45Å; E43-S166 PolarHBondContact OE1-OG 2.92Å
44	I	87.5	Confident	82.3	Confident	24 Å²	24	42.8 Å²	42.8	12%	0.123	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-42.9	176.1	-68	167.9	0	0	0	111.1	V40 C41 L42 G48 F76 L83	V40-I44 HydrophobicContact CG1-CD1 4.09Å; V40-I44 VanDerWaalsContact O-CG1 3.28Å; V40-I44 WeakPolarHBondContact O-CG1 3.34Å; V40-I44 PolarHBondContact O-N 3Å; C41-I44 PolarHBondContact O-N 3.24Å; L42-I44 VanDerWaalsContact C-N 3.34Å; L42-I44 PolarHBondContact O-N 3.27Å; I44-G48 WeakPolarHBondContact O-CA 3.4Å; I44-G48 PolarHBondContact O-N 3.16Å; I44-F76 HydrophobicContact CG2-CD2 3.93Å; I44-F76 HydrophobicContact CG2-CE2 3.44Å; I44-F76 VanDerWaalsContact CG2-CE2 3.44Å; I44-F76 HydrophobicContact CG2-CZ 4.16Å; I44-F76 WeakPolarHBondContact O-CD2 3.33Å; I44-F76 WeakPolarHBondContact O-CE2 3.07Å; I44-L83 HydrophobicContact CD1-CB 4.41Å; I44-L83 HydrophobicContact CD1-CD2 3.81Å
45	L	87.6	Confident	81.9	Confident	109 Å²	109	43.3 Å²	43.3	57%	0.571	22%	0.224	S	C	*	.	H	α-helix	trans	-64.8	-55.9	179.4	-100.9	156.7	0	0	0	112	C41 L42 G48 L49	C41-L45 WeakPolarHBondContact O-CB 3.45Å; C41-L45 PolarHBondContact O-N 3.16Å; L42-L45 PolarHBondContact O-N 3.01Å; L45-G48 PolarHBondContact O-N 3.39Å; L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 3.37Å
46	F	81.3	Confident	81.8	Confident	46 Å²	46	37.7 Å²	37.7	20%	0.202	21%	0.213	C	C	.	.	H	α-helix	trans	-71.1	-40.7	-178.2	-63.2	-53.3	0	0	0	111.6	L42 G48 L49 V50 F155 T159	L42-F46 HydrophobicContact CB-CD2 4.14Å; L42-F46 HydrophobicContact CB-CE2 4.03Å; L42-F46 HydrophobicContact CD2-CE2 3.93Å; L42-F46 HydrophobicContact CD2-CZ 4.37Å; L42-F46 HydrophobicContact CG-CE2 4.44Å; L42-F46 WeakPolarHBondContact O-CB 3.48Å; L42-F46 WeakPolarHBondContact O-CD2 3.37Å; L42-F46 PolarHBondContact O-N 3.16Å; F46-G48 VanDerWaalsContact C-N 3.29Å; F46-G48 PolarHBondContact O-N 2.97Å; F46-L49 HydrophobicContact CD1-CD1 4.41Å; F46-L49 PolarHBondContact O-N 2.66Å; F46-V50 WeakPolarHBondContact O-CG2 3.36Å; F46-V50 PolarHBondContact O-N 2.91Å; F46-F155 HydrophobicContact CD1-CD1 4.03Å; F46-F155 HydrophobicContact CD1-CE1 4.4Å; F46-T159 WeakPolarHBondContact CB-OG1 3.42Å
47	G	81.3	Confident	81.1	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-40.9	172.6	0	0	0	0	0	111.7	E43 L49 V50 S72 Y113	E43-G47 VanDerWaalsContact O-CA 3.26Å; E43-G47 WeakPolarHBondContact O-CA 3.35Å; E43-G47 PolarHBondContact O-N 3.1Å; G47-L49 PolarHBondContact O-N 2.99Å; G47-V50 PolarHBondContact O-N 3.39Å; G47-S72 PolarHBondContact O-OG 3.14Å; G47-Y113 WeakPolarHBondContact CA-OH 3.27Å
48	G	82.6	Confident	80.1	Confident	6 Å²	6	44.2 Å²	44.2	6%	0.062	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-47.3	172.4	0	0	0	0	0	113.2	I44 L45 F46 W51 I52	I44-G48 WeakPolarHBondContact O-CA 3.4Å; I44-G48 PolarHBondContact O-N 3.16Å; L45-G48 PolarHBondContact O-N 3.39Å; F46-G48 VanDerWaalsContact C-N 3.29Å; F46-G48 PolarHBondContact O-N 2.97Å; G48-W51 PolarHBondContact O-NE1 2.93Å; G48-I52 WeakPolarHBondContact O-CD1 3.28Å; G48-I52 VanDerWaalsContact O-CG1 3.25Å; G48-I52 WeakPolarHBondContact O-CG1 3.47Å; G48-I52 PolarHBondContact O-N 2.89Å
49	L	80.2	Confident	78.9	Confident	64 Å²	64	44.5 Å²	44.5	34%	0.335	24%	0.244	S	C	.	.	H	α-helix	trans	-64.6	-40.8	179.7	-70.5	167.7	0	0	0	112.2	L45 F46 G47 W51 I52 L53 F155	L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 3.37Å; F46-L49 HydrophobicContact CD1-CD1 4.41Å; F46-L49 PolarHBondContact O-N 2.66Å; G47-L49 PolarHBondContact O-N 2.99Å; L49-W51 PolarHBondContact O-N 3.37Å; L49-I52 PolarHBondContact O-N 3.38Å; L49-L53 HydrophobicContact CB-CD1 4.21Å; L49-L53 WeakPolarHBondContact O-CD1 3.29Å; L49-L53 PolarHBondContact O-N 3.24Å; L49-F155 HydrophobicContact CD1-CE1 4.4Å
50	V	79.7	Confident	77.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-52.9	-177.2	169.7	0	0	0	0	111.8	F46 G47 I52 L53 V54 V68 F155 A156	F46-V50 WeakPolarHBondContact O-CG2 3.36Å; F46-V50 PolarHBondContact O-N 2.91Å; G47-V50 PolarHBondContact O-N 3.39Å; V50-I52 VanDerWaalsContact C-N 3.33Å; V50-I52 PolarHBondContact O-N 3.37Å; V50-L53 PolarHBondContact O-N 3.02Å; V50-V54 WeakPolarHBondContact O-CB 3.42Å; V50-V54 VanDerWaalsContact O-CG2 3.29Å; V50-V54 WeakPolarHBondContact O-CG2 3.27Å; V50-V54 PolarHBondContact O-N 3.07Å; V50-V68 HydrophobicContact CG1-CG1 3.72Å; V50-F155 HydrophobicContact CG2-CB 3.66Å; V50-A156 HydrophobicContact CG2-CB 4.34Å
51	W	80.8	Confident	76.5	Confident	74 Å²	74	46.3 Å²	46.3	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-71.2	-27.7	-178.9	65.8	-98.5	0	0	0	113.2	G48 L49 A55 M69 S72 V73	G48-W51 PolarHBondContact O-NE1 2.93Å; L49-W51 PolarHBondContact O-N 3.37Å; W51-A55 WeakPolarHBondContact O-CB 3.18Å; W51-A55 PolarHBondContact O-N 3Å; W51-M69 HydrophobicContact CB-CG 4.29Å; W51-S72 WeakPolarHBondContact CB-OG 3.34Å; W51-S72 PolarHBondContact N-OG 3.41Å; W51-V73 HydrophobicContact CB-CG2 3.68Å; W51-V73 HydrophobicContact CD2-CG2 3.96Å; W51-V73 HydrophobicContact CE3-CG2 4.39Å; W51-V73 HydrophobicContact CG-CG2 3.64Å
52	I	81.6	Confident	75.6	Confident	85 Å²	85	48.7 Å²	48.7	44%	0.436	27%	0.273	S	S	.	.	H	α-helix	trans	-68.1	-45.6	173.9	-67.2	168.4	0	0	0	110.6	G48 L49 V50 V54 A55 S56	G48-I52 WeakPolarHBondContact O-CD1 3.28Å; G48-I52 VanDerWaalsContact O-CG1 3.25Å; G48-I52 WeakPolarHBondContact O-CG1 3.47Å; G48-I52 PolarHBondContact O-N 2.89Å; L49-I52 PolarHBondContact O-N 3.38Å; V50-I52 VanDerWaalsContact C-N 3.33Å; V50-I52 PolarHBondContact O-N 3.37Å; I52-V54 VanDerWaalsContact C-N 3.33Å; I52-A55 PolarHBondContact O-N 3.5Å; I52-S56 WeakPolarHBondContact O-CB 3.4Å; I52-S56 PolarHBondContact O-N 2.84Å
53	L	74.3	Confident	74.8	Confident	34 Å²	34	53.1 Å²	53.1	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-42.5	176.5	-90.5	79.2	0	0	0	111	L49 V50 S56 S57 I148 A151 F155	L49-L53 HydrophobicContact CB-CD1 4.21Å; L49-L53 WeakPolarHBondContact O-CD1 3.29Å; L49-L53 PolarHBondContact O-N 3.24Å; V50-L53 PolarHBondContact O-N 3.02Å; L53-S56 WeakPolarHBondContact O-CB 3.48Å; L53-S56 PolarHBondContact O-N 3.49Å; L53-S57 PolarHBondContact O-N 3.4Å; L53-I148 HydrophobicContact CB-CG2 4.46Å; L53-I148 WeakPolarHBondContact O-CG2 3.33Å; L53-A151 HydrophobicContact CD2-CB 3.65Å; L53-F155 HydrophobicContact CD2-CD2 3.86Å; L53-F155 HydrophobicContact CD2-CE2 4Å
54	V	73.4	Confident	74.1	Confident	1 Å²	1	54 Å²	54	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-45.2	174	159.5	0	0	0	0	111.5	V50 I52 S56 S57 Q65 V68 M69 A152	V50-V54 WeakPolarHBondContact O-CB 3.42Å; V50-V54 VanDerWaalsContact O-CG2 3.29Å; V50-V54 WeakPolarHBondContact O-CG2 3.27Å; V50-V54 PolarHBondContact O-N 3.07Å; I52-V54 VanDerWaalsContact C-N 3.33Å; V54-S56 PolarHBondContact O-N 3.42Å; V54-S57 PolarHBondContact O-N 3.35Å; V54-S57 PolarHBondContact O-OG 3.37Å; V54-Q65 HydrophobicContact CB-CG 4.28Å; V54-Q65 HydrophobicContact CG1-CG 3.35Å; V54-Q65 HydrophobicContact CG2-CG 4.31Å; V54-Q65 PolarHBondContact O-NE2 3.28Å; V54-V68 HydrophobicContact CG2-CB 4.45Å; V54-V68 HydrophobicContact CG2-CG1 3.95Å; V54-M69 HydrophobicContact CG1-CB 3.75Å; V54-M69 HydrophobicContact CG1-CG 4.22Å; V54-A152 HydrophobicContact CG2-CB 4.26Å
55	A	75.8	Confident	73.4	Confident	45 Å²	45	53 Å²	53	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-34.4	175.8	0	0	0	0	0	111.9	W51 I52 N58 M69	W51-A55 WeakPolarHBondContact O-CB 3.18Å; W51-A55 PolarHBondContact O-N 3Å; I52-A55 PolarHBondContact O-N 3.5Å; A55-N58 PolarHBondContact O-N 2.84Å; A55-M69 HydrophobicContact CB-CE 4.37Å
56	S	74.8	Confident	73	Confident	77 Å²	77	49.3 Å²	49.3	54%	0.538	28%	0.284	S	S	.	.	H	α-helix	trans	-69.3	-29.1	-178.1	-171	0	0	0	0	114.3	I52 L53 V54 N58	I52-S56 WeakPolarHBondContact O-CB 3.4Å; I52-S56 PolarHBondContact O-N 2.84Å; L53-S56 WeakPolarHBondContact O-CB 3.48Å; L53-S56 PolarHBondContact O-N 3.49Å; V54-S56 PolarHBondContact O-N 3.42Å; S56-N58 PolarHBondContact O-N 3.03Å
57	S	66.1	Low	73	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.028	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	4.4	179.3	51.8	0	0	0	0	114.9	L53 V54 V59 P60 Q65 Q145	L53-S57 PolarHBondContact O-N 3.4Å; V54-S57 PolarHBondContact O-N 3.35Å; V54-S57 PolarHBondContact O-OG 3.37Å; S57-V59 PolarHBondContact O-N 3.28Å; S57-P60 WeakPolarHBondContact O-CD 3.16Å; S57-Q65 PolarHBondContact OG-NE2 3.27Å; S57-Q145 PolarHBondContact O-NE2 2.83Å
58	N	61.5	Low	73.1	Confident	141 Å²	141	51.6 Å²	51.6	75%	0.754	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.7	-180	-69.6	-63.1	0	0	0	114.8	A55 S56	A55-N58 PolarHBondContact O-N 2.84Å; S56-N58 PolarHBondContact O-N 3.03Å
59	V	59.3	Low	73.3	Confident	52 Å²	52	54.5 Å²	54.5	32%	0.315	31%	0.305	S	S	.	.			trans	49.7	58.3	169.6	-153.6	0	0	0	0	115.8	S57 L61 P62 Q65	S57-V59 PolarHBondContact O-N 3.28Å; V59-L61 PolarHBondContact O-N 3.35Å; V59-P62 HydrophobicContact CG1-CB 4.35Å; V59-Q65 HydrophobicContact CG1-CB 3.84Å; V59-Q65 HydrophobicContact CG1-CG 3.9Å
60	P	56.9	Low	73.6	Confident	43 Å²	43	57 Å²	57	28%	0.279	31%	0.313	S	S	.	.	S	Bend	trans	-61.3	-26.6	176.6	21.6	-32.8	0	0	0	113.5	S57 P62 L141	S57-P60 WeakPolarHBondContact O-CD 3.16Å; P60-P62 WeakPolarHBondContact O-CD 3.48Å; P60-L141 HydrophobicContact CB-CD2 3.49Å; P60-L141 VanDerWaalsContact CB-CD2 3.49Å; P60-L141 HydrophobicContact CG-CD2 3.19Å
61	L	63.2	Low	73.9	Confident	57 Å²	57	57.2 Å²	57.2	30%	0.298	31%	0.314	S	S	.	.	S	Bend	trans	-119	82.7	174.8	-68.8	174.7	0	0	0	110.9	V59 L63 L64 Q65 A123 L140	V59-L61 PolarHBondContact O-N 3.35Å; L61-L63 VanDerWaalsContact C-N 3.28Å; L61-L63 PolarHBondContact O-N 2.82Å; L61-L63 VanDerWaalsContact O-N 3.1Å; L61-L64 HydrophobicContact CD1-CD2 4.48Å; L61-L64 PolarHBondContact O-N 2.84Å; L61-Q65 VanDerWaalsContact O-CB 3.23Å; L61-Q65 WeakPolarHBondContact O-CB 3.26Å; L61-Q65 PolarHBondContact O-N 3.48Å; L61-A123 HydrophobicContact CD1-CB 4.11Å; L61-L140 HydrophobicContact CD2-CD2 4.27Å
62	P	67	Low	74.2	Confident	93 Å²	93	53.7 Å²	53.7	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-57.4	-32.3	-168	17.3	-30.1	0	0	0	115.5	V59 P60 G66	V59-P62 HydrophobicContact CG1-CB 4.35Å; P60-P62 WeakPolarHBondContact O-CD 3.48Å; P62-G66 WeakPolarHBondContact O-CA 3.45Å; P62-G66 PolarHBondContact O-N 2.85Å; P62-G66 VanDerWaalsContact O-N 3.07Å
63	L	69.8	Low	74.5	Confident	160 Å²	160	51.4 Å²	51.4	84%	0.838	29%	0.291	S	S	*	.	H	α-helix	trans	-76.8	-49.1	-177.7	-68.7	172.7	0	0	0	113	L61 W67	L61-L63 VanDerWaalsContact C-N 3.28Å; L61-L63 PolarHBondContact O-N 2.82Å; L61-L63 VanDerWaalsContact O-N 3.1Å; L63-W67 PolarHBondContact O-N 3.34Å
64	L	71.7	Confident	75.1	Confident	18 Å²	18	51.9 Å²	51.9	9%	0.094	30%	0.295	C	S	.	.	H	α-helix	trans	-67.9	-52.1	179.3	159	60.4	0	0	0	110.6	L61 G66 W67 V68 L119 E120 A123	L61-L64 HydrophobicContact CD1-CD2 4.48Å; L61-L64 PolarHBondContact O-N 2.84Å; L64-G66 VanDerWaalsContact C-N 3.3Å; L64-G66 PolarHBondContact O-N 3.09Å; L64-W67 VanDerWaalsContact O-CB 3.31Å; L64-W67 WeakPolarHBondContact O-CB 3.48Å; L64-W67 PolarHBondContact O-N 3.27Å; L64-V68 HydrophobicContact CD1-CG2 4.11Å; L64-V68 PolarHBondContact O-N 3.07Å; L64-V68 VanDerWaalsContact O-N 3.09Å; L64-L119 HydrophobicContact CB-CD2 4.47Å; L64-L119 HydrophobicContact CD1-CB 3.35Å; L64-L119 HydrophobicContact CD1-CD2 3.58Å; L64-L119 HydrophobicContact CD1-CG 3.38Å; L64-L119 WeakPolarHBondContact CD1-O 3.21Å; L64-E120 WeakPolarHBondContact CD1-OE2 3.46Å; L64-E120 WeakPolarHBondContact CG-OE2 3.09Å; L64-A123 HydrophobicContact CD2-CB 3.02Å
65	Q	72.6	Confident	75.8	Confident	2 Å²	2	52 Å²	52	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-72.8	-30.6	-172.4	-175.3	172	-16.8	0	0	111.2	V54 S57 V59 L61 W67 V68 M69	V54-Q65 HydrophobicContact CB-CG 4.28Å; V54-Q65 HydrophobicContact CG1-CG 3.35Å; V54-Q65 HydrophobicContact CG2-CG 4.31Å; V54-Q65 PolarHBondContact O-NE2 3.28Å; S57-Q65 PolarHBondContact OG-NE2 3.27Å; V59-Q65 HydrophobicContact CG1-CB 3.84Å; V59-Q65 HydrophobicContact CG1-CG 3.9Å; L61-Q65 VanDerWaalsContact O-CB 3.23Å; L61-Q65 WeakPolarHBondContact O-CB 3.26Å; L61-Q65 PolarHBondContact O-N 3.48Å; Q65-W67 VanDerWaalsContact C-N 3.33Å; Q65-V68 PolarHBondContact O-N 3Å; Q65-M69 WeakPolarHBondContact O-CB 3.48Å; Q65-M69 PolarHBondContact O-N 3.4Å
66	G	79.6	Confident	76.4	Confident	32 Å²	32	52.1 Å²	52.1	33%	0.33	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-37.1	168.1	0	0	0	0	0	113	P62 L64 F70	P62-G66 WeakPolarHBondContact O-CA 3.45Å; P62-G66 PolarHBondContact O-N 2.85Å; P62-G66 VanDerWaalsContact O-N 3.07Å; L64-G66 VanDerWaalsContact C-N 3.3Å; L64-G66 PolarHBondContact O-N 3.09Å; G66-F70 VanDerWaalsContact O-CB 3.29Å; G66-F70 WeakPolarHBondContact O-CB 3.36Å; G66-F70 PolarHBondContact O-N 3.04Å
67	W	81.9	Confident	77.1	Confident	93 Å²	93	54.6 Å²	54.6	35%	0.352	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-48.3	173.8	176.1	-103.1	0	0	0	112.2	L63 L64 Q65 M69 F70 V71 F112 L119	L63-W67 PolarHBondContact O-N 3.34Å; L64-W67 VanDerWaalsContact O-CB 3.31Å; L64-W67 WeakPolarHBondContact O-CB 3.48Å; L64-W67 PolarHBondContact O-N 3.27Å; Q65-W67 VanDerWaalsContact C-N 3.33Å; W67-M69 VanDerWaalsContact C-N 3.31Å; W67-M69 PolarHBondContact O-N 3.14Å; W67-F70 HydrophobicContact CE3-CD1 4.48Å; W67-F70 HydrophobicContact CZ3-CD1 4.44Å; W67-F70 PolarHBondContact O-N 2.66Å; W67-V71 HydrophobicContact CD2-CG2 4.16Å; W67-V71 HydrophobicContact CZ2-CG2 4.01Å; W67-V71 WeakPolarHBondContact O-CG2 3.39Å; W67-V71 PolarHBondContact O-N 2.86Å; W67-F112 AromaticContact CH2-CD1 3.8Å; W67-F112 HydrophobicContact CH2-CD1 3.8Å; W67-F112 AromaticContact CH2-CE1 3.76Å; W67-F112 HydrophobicContact CH2-CE1 3.76Å; W67-F112 AromaticContact CZ2-CD1 3.73Å; W67-F112 HydrophobicContact CZ2-CD1 3.73Å; W67-F112 HydrophobicContact CZ2-CE1 4.15Å; W67-L119 HydrophobicContact CB-CD2 4.16Å; W67-L119 HydrophobicContact CG-CD2 4.1Å
68	V	82.5	Confident	78.1	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-59.9	-44	177.4	179.7	0	0	0	0	110.7	V50 V54 L64 Q65 S72 A116	V50-V68 HydrophobicContact CG1-CG1 3.72Å; V54-V68 HydrophobicContact CG2-CB 4.45Å; V54-V68 HydrophobicContact CG2-CG1 3.95Å; L64-V68 HydrophobicContact CD1-CG2 4.11Å; L64-V68 PolarHBondContact O-N 3.07Å; L64-V68 VanDerWaalsContact O-N 3.09Å; Q65-V68 PolarHBondContact O-N 3Å; V68-S72 WeakPolarHBondContact O-CB 3.13Å; V68-S72 PolarHBondContact O-N 3.47Å; V68-A116 HydrophobicContact CG2-CB 4.09Å
69	M	86.4	Confident	79.3	Confident	67 Å²	67	53 Å²	53	33%	0.33	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-48.6	176	-167.5	178.1	-177.9	0	0	111.6	W51 V54 A55 Q65 W67 S72 V73	W51-M69 HydrophobicContact CB-CG 4.29Å; V54-M69 HydrophobicContact CG1-CB 3.75Å; V54-M69 HydrophobicContact CG1-CG 4.22Å; A55-M69 HydrophobicContact CB-CE 4.37Å; Q65-M69 WeakPolarHBondContact O-CB 3.48Å; Q65-M69 PolarHBondContact O-N 3.4Å; W67-M69 VanDerWaalsContact C-N 3.31Å; W67-M69 PolarHBondContact O-N 3.14Å; M69-S72 PolarHBondContact O-N 3.13Å; M69-V73 HydrophobicContact CG-CG2 4.19Å; M69-V73 WeakPolarHBondContact O-CB 3.36Å; M69-V73 VanDerWaalsContact O-CG2 3.24Å; M69-V73 WeakPolarHBondContact O-CG2 3.47Å; M69-V73 PolarHBondContact O-N 3.31Å
70	F	86.1	Confident	80.7	Confident	115 Å²	115	54.7 Å²	54.7	50%	0.504	28%	0.283	S	S	.	.	H	α-helix	trans	-59.1	-50.2	179.7	170.9	-103.6	0	0	0	111.7	G66 W67 S72 T74	G66-F70 VanDerWaalsContact O-CB 3.29Å; G66-F70 WeakPolarHBondContact O-CB 3.36Å; G66-F70 PolarHBondContact O-N 3.04Å; W67-F70 HydrophobicContact CE3-CD1 4.48Å; W67-F70 HydrophobicContact CZ3-CD1 4.44Å; W67-F70 PolarHBondContact O-N 2.66Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 2.85Å; F70-T74 WeakPolarHBondContact CE2-OG1 3.34Å; F70-T74 WeakPolarHBondContact O-CB 3.3Å; F70-T74 PolarHBondContact O-N 3.44Å; F70-T74 PolarHBondContact O-OG1 3.42Å
71	V	87.2	Confident	82.3	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-47	178.9	169.2	0	0	0	0	110.4	W67 A75 F112 Y113 A116	W67-V71 HydrophobicContact CD2-CG2 4.16Å; W67-V71 HydrophobicContact CZ2-CG2 4.01Å; W67-V71 WeakPolarHBondContact O-CG2 3.39Å; W67-V71 PolarHBondContact O-N 2.86Å; V71-A75 WeakPolarHBondContact O-CB 3.09Å; V71-A75 PolarHBondContact O-N 3.31Å; V71-F112 HydrophobicContact CG1-CB 3.81Å; V71-F112 HydrophobicContact CG2-CB 4.09Å; V71-F112 HydrophobicContact CG2-CD1 4.21Å; V71-Y113 HydrophobicContact CG1-CD2 3.82Å; V71-Y113 HydrophobicContact CG1-CE2 4.07Å; V71-Y113 HydrophobicContact CG1-CG 4.13Å; V71-A116 HydrophobicContact CG1-CB 4.45Å
72	S	86.6	Confident	83.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.4	-44.9	-175.4	173.4	0	0	0	0	113.3	G47 W51 V68 M69 F70 F76 Y113	G47-S72 PolarHBondContact O-OG 3.14Å; W51-S72 WeakPolarHBondContact CB-OG 3.34Å; W51-S72 PolarHBondContact N-OG 3.41Å; V68-S72 WeakPolarHBondContact O-CB 3.13Å; V68-S72 PolarHBondContact O-N 3.47Å; M69-S72 PolarHBondContact O-N 3.13Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 2.85Å; S72-F76 VanDerWaalsContact O-CB 3.3Å; S72-F76 WeakPolarHBondContact O-CB 3.37Å; S72-F76 PolarHBondContact O-N 3.32Å; S72-Y113 WeakPolarHBondContact CA-OH 3.15Å; S72-Y113 WeakPolarHBondContact CB-OH 3.25Å; S72-Y113 PolarHBondContact OG-OH 3.4Å
73	V	88.2	Confident	84.2	Confident	37 Å²	37	51.9 Å²	51.9	22%	0.224	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-46	176.6	172.4	0	0	0	0	110.6	W51 M69 F76 F77	W51-V73 HydrophobicContact CB-CG2 3.68Å; W51-V73 HydrophobicContact CD2-CG2 3.96Å; W51-V73 HydrophobicContact CE3-CG2 4.39Å; W51-V73 HydrophobicContact CG-CG2 3.64Å; M69-V73 HydrophobicContact CG-CG2 4.19Å; M69-V73 WeakPolarHBondContact O-CB 3.36Å; M69-V73 VanDerWaalsContact O-CG2 3.24Å; M69-V73 WeakPolarHBondContact O-CG2 3.47Å; M69-V73 PolarHBondContact O-N 3.31Å; V73-F76 WeakPolarHBondContact O-CB 3.26Å; V73-F76 PolarHBondContact O-N 2.97Å; V73-F77 HydrophobicContact CG1-CD2 3.67Å; V73-F77 HydrophobicContact CG1-CE2 3.42Å; V73-F77 VanDerWaalsContact CG1-CE2 3.42Å; V73-F77 WeakPolarHBondContact O-CD2 3.17Å; V73-F77 PolarHBondContact O-N 3.22Å
74	T	87.3	Confident	84.9	Confident	43 Å²	43	45.8 Å²	45.8	26%	0.264	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-48.5	-179.7	-57.8	0	0	0	0	110.5	F70 F76 F77 F78	F70-T74 WeakPolarHBondContact CE2-OG1 3.34Å; F70-T74 WeakPolarHBondContact O-CB 3.3Å; F70-T74 PolarHBondContact O-N 3.44Å; F70-T74 PolarHBondContact O-OG1 3.42Å; T74-F76 VanDerWaalsContact C-N 3.35Å; T74-F76 PolarHBondContact O-N 3.3Å; T74-F77 PolarHBondContact O-N 2.78Å; T74-F78 HydrophobicContact CG2-CD2 3.59Å; T74-F78 HydrophobicContact CG2-CE2 3.41Å; T74-F78 VanDerWaalsContact CG2-CE2 3.41Å; T74-F78 WeakPolarHBondContact O-CD2 3.31Å; T74-F78 PolarHBondContact O-N 3.34Å
75	A	87.7	Confident	85.6	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-42.2	176.6	0	0	0	0	0	112.4	V71 F77 F78 S79 Y105 V109 Y113	V71-A75 WeakPolarHBondContact O-CB 3.09Å; V71-A75 PolarHBondContact O-N 3.31Å; A75-F77 PolarHBondContact O-N 3.03Å; A75-F78 PolarHBondContact O-N 3.03Å; A75-S79 WeakPolarHBondContact O-CB 3.04Å; A75-S79 PolarHBondContact O-N 3.49Å; A75-S79 PolarHBondContact O-OG 3.25Å; A75-Y105 PolarHBondContact O-OH 3.06Å; A75-V109 HydrophobicContact CB-CG1 3.73Å; A75-Y113 HydrophobicContact CB-CD2 4.33Å; A75-Y113 HydrophobicContact CB-CE2 3.59Å
76	F	88.1	Confident	86.1	Confident	47 Å²	47	46.5 Å²	46.5	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-49.9	176.7	179	-90.8	0	0	0	112.1	I44 S72 V73 T74 S79 L80	I44-F76 HydrophobicContact CG2-CD2 3.93Å; I44-F76 HydrophobicContact CG2-CE2 3.44Å; I44-F76 VanDerWaalsContact CG2-CE2 3.44Å; I44-F76 HydrophobicContact CG2-CZ 4.16Å; I44-F76 WeakPolarHBondContact O-CD2 3.33Å; I44-F76 WeakPolarHBondContact O-CE2 3.07Å; S72-F76 VanDerWaalsContact O-CB 3.3Å; S72-F76 WeakPolarHBondContact O-CB 3.37Å; S72-F76 PolarHBondContact O-N 3.32Å; V73-F76 WeakPolarHBondContact O-CB 3.26Å; V73-F76 PolarHBondContact O-N 2.97Å; T74-F76 VanDerWaalsContact C-N 3.35Å; T74-F76 PolarHBondContact O-N 3.3Å; F76-S79 PolarHBondContact O-N 2.95Å; F76-L80 WeakPolarHBondContact O-CB 3.14Å; F76-L80 PolarHBondContact O-N 2.88Å
77	F	89.5	Confident	86.3	Confident	129 Å²	129	48.3 Å²	48.3	57%	0.566	24%	0.24	S	C	*	.	H	α-helix	trans	-63.9	-43.3	178.5	-77.3	-65.2	0	0	0	112.3	V73 T74 A75 L80 L81	V73-F77 HydrophobicContact CG1-CD2 3.67Å; V73-F77 HydrophobicContact CG1-CE2 3.42Å; V73-F77 VanDerWaalsContact CG1-CE2 3.42Å; V73-F77 WeakPolarHBondContact O-CD2 3.17Å; V73-F77 PolarHBondContact O-N 3.22Å; T74-F77 PolarHBondContact O-N 2.78Å; A75-F77 PolarHBondContact O-N 3.03Å; F77-L80 PolarHBondContact O-N 3.44Å; F77-L81 WeakPolarHBondContact O-CB 3.29Å; F77-L81 PolarHBondContact O-N 3.02Å
78	F	87.8	Confident	86.4	Confident	113 Å²	113	47.8 Å²	47.8	50%	0.496	25%	0.25	S	S	.	.	H	α-helix	trans	-67.9	-36.9	177.4	-76.5	-67.3	0	0	0	112.6	T74 A75 L81 F82 Y105	T74-F78 HydrophobicContact CG2-CD2 3.59Å; T74-F78 HydrophobicContact CG2-CE2 3.41Å; T74-F78 VanDerWaalsContact CG2-CE2 3.41Å; T74-F78 WeakPolarHBondContact O-CD2 3.31Å; T74-F78 PolarHBondContact O-N 3.34Å; A75-F78 PolarHBondContact O-N 3.03Å; F78-L81 PolarHBondContact O-N 3.48Å; F78-F82 VanDerWaalsContact O-CB 3.27Å; F78-F82 WeakPolarHBondContact O-CB 3.29Å; F78-F82 PolarHBondContact O-N 3.18Å; F78-Y105 HydrophobicContact CB-CD2 4.49Å; F78-Y105 HydrophobicContact CB-CE2 3.52Å; F78-Y105 HydrophobicContact CG-CE2 4.44Å
79	S	86.6	Confident	86.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-41.9	175	-68.2	0	0	0	0	110.9	A75 F76 F82 L83 Y105 Y163	A75-S79 WeakPolarHBondContact O-CB 3.04Å; A75-S79 PolarHBondContact O-N 3.49Å; A75-S79 PolarHBondContact O-OG 3.25Å; F76-S79 PolarHBondContact O-N 2.95Å; S79-F82 PolarHBondContact O-N 3.44Å; S79-L83 WeakPolarHBondContact O-CB 3.38Å; S79-L83 PolarHBondContact O-N 3.04Å; S79-Y105 VanDerWaalsContact CA-OH 3.27Å; S79-Y105 WeakPolarHBondContact CA-OH 3.42Å; S79-Y105 WeakPolarHBondContact CB-OH 3.18Å; S79-Y105 PolarHBondContact N-OH 3.36Å; S79-Y105 PolarHBondContact OG-OH 3.3Å; S79-Y163 PolarHBondContact OG-OH 3.36Å
80	L	88.6	Confident	85.7	Confident	87 Å²	87	49.2 Å²	49.2	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-43.7	176.3	-171.7	69.5	0	0	0	111.4	F76 F77 G84	F76-L80 WeakPolarHBondContact O-CB 3.14Å; F76-L80 PolarHBondContact O-N 2.88Å; F77-L80 PolarHBondContact O-N 3.44Å; L80-G84 PolarHBondContact O-N 3.38Å
81	L	89.1	Confident	85.3	Confident	100 Å²	100	43.7 Å²	43.7	52%	0.524	24%	0.237	S	C	.	.	H	α-helix	trans	-61.2	-48	174.9	-179.3	65.6	0	0	0	110.7	F77 F78 L83 G84 M85	F77-L81 WeakPolarHBondContact O-CB 3.29Å; F77-L81 PolarHBondContact O-N 3.02Å; F78-L81 PolarHBondContact O-N 3.48Å; L81-L83 PolarHBondContact O-N 3.41Å; L81-G84 PolarHBondContact O-N 2.85Å; L81-G84 VanDerWaalsContact O-N 3.17Å; L81-M85 VanDerWaalsContact O-CG 3.32Å; L81-M85 WeakPolarHBondContact O-CG 3.42Å; L81-M85 PolarHBondContact O-N 3.32Å
82	F	85.9	Confident	84.6	Confident	13 Å²	13	47 Å²	47	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-51.3	179.1	-164.8	-103	0	0	0	110.9	F78 S79 G84 M85 F86 D102	F78-F82 VanDerWaalsContact O-CB 3.27Å; F78-F82 WeakPolarHBondContact O-CB 3.29Å; F78-F82 PolarHBondContact O-N 3.18Å; S79-F82 PolarHBondContact O-N 3.44Å; F82-G84 VanDerWaalsContact C-N 3.31Å; F82-G84 PolarHBondContact O-N 2.64Å; F82-M85 HydrophobicContact CD2-CE 4.07Å; F82-M85 PolarHBondContact O-N 3.1Å; F82-M85 VanDerWaalsContact O-N 3.15Å; F82-F86 AromaticContact CD1-CD2 3.97Å; F82-F86 HydrophobicContact CD1-CD2 3.97Å; F82-F86 AromaticContact CD1-CE2 3.81Å; F82-F86 HydrophobicContact CD1-CE2 3.81Å; F82-F86 HydrophobicContact CD2-CE2 4.33Å; F82-F86 AromaticContact CE1-CD2 3.91Å; F82-F86 HydrophobicContact CE1-CD2 3.91Å; F82-F86 AromaticContact CE1-CE2 3.32Å; F82-F86 HydrophobicContact CE1-CE2 3.32Å; F82-F86 HydrophobicContact CE1-CZ 4.22Å; F82-F86 AromaticContact CE2-CE2 3.89Å; F82-F86 HydrophobicContact CE2-CE2 3.89Å; F82-F86 HydrophobicContact CG-CD2 4.46Å; F82-F86 HydrophobicContact CG-CE2 4.3Å; F82-F86 HydrophobicContact CZ-CD2 4.33Å; F82-F86 AromaticContact CZ-CE2 3.38Å; F82-F86 HydrophobicContact CZ-CE2 3.38Å; F82-F86 HydrophobicContact CZ-CZ 4.07Å; F82-F86 WeakPolarHBondContact O-CD2 3.1Å; F82-F86 PolarHBondContact O-N 2.71Å; F82-F86 VanDerWaalsContact O-N 3.16Å; F82-D102 WeakPolarHBondContact CE1-OD1 3.14Å; F82-D102 HydrophobicContact CZ-CB 3.85Å; F82-D102 VanDerWaalsContact CZ-OD1 3.29Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.38Å
83	L	85.5	Confident	84.1	Confident	21 Å²	21	54.4 Å²	54.4	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-58.6	-41.6	175.1	-174.6	62.2	0	0	0	112.1	I31 L32 V40 I44 S79 L81 M85 F86 L87	I31-L83 HydrophobicContact CG2-CD1 4.26Å; L32-L83 HydrophobicContact CD2-CD1 4.01Å; V40-L83 HydrophobicContact CG1-CB 4.05Å; V40-L83 HydrophobicContact CG1-CD1 4.3Å; I44-L83 HydrophobicContact CD1-CB 4.41Å; I44-L83 HydrophobicContact CD1-CD2 3.81Å; S79-L83 WeakPolarHBondContact O-CB 3.38Å; S79-L83 PolarHBondContact O-N 3.04Å; L81-L83 PolarHBondContact O-N 3.41Å; L83-M85 PolarHBondContact O-N 3.01Å; L83-F86 PolarHBondContact O-N 2.8Å; L83-L87 HydrophobicContact CD1-CD1 4.38Å; L83-L87 HydrophobicContact CD1-CG 4.42Å; L83-L87 HydrophobicContact CD2-CD1 4.44Å; L83-L87 HydrophobicContact CG-CD1 3.89Å; L83-L87 HydrophobicContact CG-CG 4.37Å; L83-L87 WeakPolarHBondContact O-CB 3.41Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 2.87Å
84	G	84.9	Confident	83.5	Confident	32 Å²	32	56 Å²	56	33%	0.33	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-38.9	175.9	0	0	0	0	0	113.2	L80 L81 F82 L87 S88	L80-G84 PolarHBondContact O-N 3.38Å; L81-G84 PolarHBondContact O-N 2.85Å; L81-G84 VanDerWaalsContact O-N 3.17Å; F82-G84 VanDerWaalsContact C-N 3.31Å; F82-G84 PolarHBondContact O-N 2.64Å; G84-L87 PolarHBondContact O-N 3.44Å; G84-S88 VanDerWaalsContact O-CB 3.28Å; G84-S88 WeakPolarHBondContact O-CB 3.49Å; G84-S88 PolarHBondContact O-N 2.81Å; G84-S88 PolarHBondContact O-OG 3.08Å
85	M	85.4	Confident	82.5	Confident	31 Å²	31	59.8 Å²	59.8	15%	0.153	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-38.5	175.9	-67.4	-166.3	-69.5	0	0	112	L81 F82 L83 S88 G89 M90 V91 W98	L81-M85 VanDerWaalsContact O-CG 3.32Å; L81-M85 WeakPolarHBondContact O-CG 3.42Å; L81-M85 PolarHBondContact O-N 3.32Å; F82-M85 HydrophobicContact CD2-CE 4.07Å; F82-M85 PolarHBondContact O-N 3.1Å; F82-M85 VanDerWaalsContact O-N 3.15Å; L83-M85 PolarHBondContact O-N 3.01Å; M85-S88 PolarHBondContact O-OG 3.23Å; M85-G89 PolarHBondContact O-N 2.7Å; M85-M90 HydrophobicContact CB-CE 4.4Å; M85-M90 HydrophobicContact CG-CE 3.68Å; M85-M90 PolarHBondContact O-N 2.81Å; M85-M90 HydrophobicContact SD-CE 3.85Å; M85-V91 HydrophobicContact CB-CG2 4.34Å; M85-W98 HydrophobicContact CE-CH2 4.45Å; M85-W98 HydrophobicContact CE-CZ3 4.06Å; M85-W98 HydrophobicContact SD-CH2 4.07Å; M85-W98 HydrophobicContact SD-CZ3 4.28Å
86	F	82.7	Confident	82	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-71.8	-42.6	174.9	-82.1	-82.8	0	0	0	112.5	V23 L25 G28 I31 F82 L83 G89 V91	V23-F86 HydrophobicContact CG1-CE1 4.35Å; L25-F86 HydrophobicContact CB-CD1 4.29Å; L25-F86 HydrophobicContact CB-CE1 3.75Å; L25-F86 HydrophobicContact CD1-CE1 3.86Å; L25-F86 HydrophobicContact CD1-CZ 3.9Å; L25-F86 HydrophobicContact CG-CE1 4.49Å; G28-F86 PolarHBondContact N-O 3.09Å; I31-F86 HydrophobicContact CD1-CB 3.38Å; I31-F86 HydrophobicContact CD1-CD1 3.34Å; I31-F86 HydrophobicContact CD1-CD2 4.04Å; I31-F86 HydrophobicContact CD1-CE1 4.11Å; I31-F86 HydrophobicContact CD1-CG 3.29Å; I31-F86 HydrophobicContact CG2-CB 4.35Å; F82-F86 AromaticContact CD1-CD2 3.97Å; F82-F86 HydrophobicContact CD1-CD2 3.97Å; F82-F86 AromaticContact CD1-CE2 3.81Å; F82-F86 HydrophobicContact CD1-CE2 3.81Å; F82-F86 HydrophobicContact CD2-CE2 4.33Å; F82-F86 AromaticContact CE1-CD2 3.91Å; F82-F86 HydrophobicContact CE1-CD2 3.91Å; F82-F86 AromaticContact CE1-CE2 3.32Å; F82-F86 HydrophobicContact CE1-CE2 3.32Å; F82-F86 HydrophobicContact CE1-CZ 4.22Å; F82-F86 AromaticContact CE2-CE2 3.89Å; F82-F86 HydrophobicContact CE2-CE2 3.89Å; F82-F86 HydrophobicContact CG-CD2 4.46Å; F82-F86 HydrophobicContact CG-CE2 4.3Å; F82-F86 HydrophobicContact CZ-CD2 4.33Å; F82-F86 AromaticContact CZ-CE2 3.38Å; F82-F86 HydrophobicContact CZ-CE2 3.38Å; F82-F86 HydrophobicContact CZ-CZ 4.07Å; F82-F86 WeakPolarHBondContact O-CD2 3.1Å; F82-F86 PolarHBondContact O-N 2.71Å; F82-F86 VanDerWaalsContact O-N 3.16Å; L83-F86 PolarHBondContact O-N 2.8Å; F86-G89 PolarHBondContact O-N 3.43Å; F86-V91 HydrophobicContact CD1-CB 4.31Å; F86-V91 HydrophobicContact CD1-CG1 4.22Å; F86-V91 HydrophobicContact CD1-CG2 3.88Å; F86-V91 HydrophobicContact CD2-CG2 4.08Å; F86-V91 HydrophobicContact CE1-CB 4.33Å; F86-V91 HydrophobicContact CE1-CG1 3.85Å; F86-V91 HydrophobicContact CE1-CG2 3.87Å; F86-V91 HydrophobicContact CE2-CG2 4Å; F86-V91 HydrophobicContact CG-CG2 4Å; F86-V91 HydrophobicContact CZ-CG1 4.4Å; F86-V91 HydrophobicContact CZ-CG2 3.93Å
87	L	84.2	Confident	81.6	Confident	69 Å²	69	62.8 Å²	62.8	36%	0.361	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-40.6	178.1	-78.7	170.4	0	0	0	112.7	G28 I31 L32 L83 G84 G89	G28-L87 WeakPolarHBondContact CA-O 3.49Å; I31-L87 HydrophobicContact CG2-CD2 4.3Å; L32-L87 HydrophobicContact CD1-CD2 4.19Å; L32-L87 HydrophobicContact CG-CD2 4.25Å; L83-L87 HydrophobicContact CD1-CD1 4.38Å; L83-L87 HydrophobicContact CD1-CG 4.42Å; L83-L87 HydrophobicContact CD2-CD1 4.44Å; L83-L87 HydrophobicContact CG-CD1 3.89Å; L83-L87 HydrophobicContact CG-CG 4.37Å; L83-L87 WeakPolarHBondContact O-CB 3.41Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 2.87Å; G84-L87 PolarHBondContact O-N 3.44Å; L87-G89 PolarHBondContact O-N 3.01Å
88	S	84	Confident	81.3	Confident	82 Å²	82	57 Å²	57	57%	0.573	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-10	177.1	56.7	0	0	0	0	113.5	G84 M85 M90	G84-S88 VanDerWaalsContact O-CB 3.28Å; G84-S88 WeakPolarHBondContact O-CB 3.49Å; G84-S88 PolarHBondContact O-N 2.81Å; G84-S88 PolarHBondContact O-OG 3.08Å; M85-S88 PolarHBondContact O-OG 3.23Å; S88-M90 PolarHBondContact O-N 3.49Å
89	G	77	Confident	81	Confident	15 Å²	15	52.5 Å²	52.5	16%	0.155	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	9.5	-176	0	0	0	0	0	114.4	M85 F86 L87 V91 T92	M85-G89 PolarHBondContact O-N 2.7Å; F86-G89 PolarHBondContact O-N 3.43Å; L87-G89 PolarHBondContact O-N 3.01Å; G89-V91 PolarHBondContact O-N 2.94Å; G89-V91 VanDerWaalsContact O-N 3.12Å; G89-T92 PolarHBondContact O-N 2.55Å; G89-T92 PolarHBondContact O-OG1 3.33Å
90	M	77.6	Confident	80.8	Confident	85 Å²	85	57.4 Å²	57.4	42%	0.419	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-61	-24.2	178	-161.4	173.2	70.3	0	0	112.1	M85 S88 T92 Q93 I94	M85-M90 HydrophobicContact CB-CE 4.4Å; M85-M90 HydrophobicContact CG-CE 3.68Å; M85-M90 PolarHBondContact O-N 2.81Å; M85-M90 HydrophobicContact SD-CE 3.85Å; S88-M90 PolarHBondContact O-N 3.49Å; M90-T92 PolarHBondContact O-N 3.46Å; M90-Q93 PolarHBondContact O-N 3.22Å; M90-Q93 VanDerWaalsContact O-N 3.09Å; M90-I94 HydrophobicContact CE-CD1 4.06Å; M90-I94 HydrophobicContact CG-CD1 3.82Å; M90-I94 HydrophobicContact CG-CG1 4.41Å; M90-I94 PolarHBondContact O-N 3.45Å; M90-I94 HydrophobicContact SD-CD1 4.38Å
91	V	76.4	Confident	80.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-53.4	-35.3	170.6	159.3	0	0	0	0	113.7	V23 M85 F86 G89 Q93 W98	V23-V91 HydrophobicContact CB-CG1 4.17Å; V23-V91 HydrophobicContact CG1-CG1 3.51Å; V23-V91 HydrophobicContact CG2-CG1 3.52Å; M85-V91 HydrophobicContact CB-CG2 4.34Å; F86-V91 HydrophobicContact CD1-CB 4.31Å; F86-V91 HydrophobicContact CD1-CG1 4.22Å; F86-V91 HydrophobicContact CD1-CG2 3.88Å; F86-V91 HydrophobicContact CD2-CG2 4.08Å; F86-V91 HydrophobicContact CE1-CB 4.33Å; F86-V91 HydrophobicContact CE1-CG1 3.85Å; F86-V91 HydrophobicContact CE1-CG2 3.87Å; F86-V91 HydrophobicContact CE2-CG2 4Å; F86-V91 HydrophobicContact CG-CG2 4Å; F86-V91 HydrophobicContact CZ-CG1 4.4Å; F86-V91 HydrophobicContact CZ-CG2 3.93Å; G89-V91 PolarHBondContact O-N 2.94Å; G89-V91 VanDerWaalsContact O-N 3.12Å; V91-Q93 VanDerWaalsContact C-N 3.33Å; V91-W98 VanDerWaalsContact CA-CZ2 3.46Å; V91-W98 HydrophobicContact CB-CD2 4.29Å; V91-W98 HydrophobicContact CB-CH2 4.45Å; V91-W98 HydrophobicContact CB-CZ2 4.14Å; V91-W98 HydrophobicContact CG1-CD2 4Å; V91-W98 HydrophobicContact CG1-CG 4.03Å; V91-W98 HydrophobicContact CG2-CD2 3.88Å; V91-W98 HydrophobicContact CG2-CE3 3.69Å; V91-W98 HydrophobicContact CG2-CH2 3.65Å; V91-W98 HydrophobicContact CG2-CZ2 3.83Å; V91-W98 HydrophobicContact CG2-CZ3 3.59Å; V91-W98 PolarHBondContact O-NE1 2.79Å
92	T	73.9	Confident	80.5	Confident	75 Å²	75	52.2 Å²	52.2	46%	0.46	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-83.7	-13.2	-178.9	66.9	0	0	0	0	113	A27 G89 M90	A27-T92 HydrophobicContact CB-CG2 3.82Å; G89-T92 PolarHBondContact O-N 2.55Å; G89-T92 PolarHBondContact O-OG1 3.33Å; M90-T92 PolarHBondContact O-N 3.46Å
93	Q	75.3	Confident	80.5	Confident	156 Å²	156	53 Å²	53	73%	0.729	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-18.1	-176.5	-59.2	-63	-20.3	0	0	112.8	M90 V91	M90-Q93 PolarHBondContact O-N 3.22Å; M90-Q93 VanDerWaalsContact O-N 3.09Å; V91-Q93 VanDerWaalsContact C-N 3.33Å
94	I	75.7	Confident	80.7	Confident	71 Å²	71	53.3 Å²	53.3	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-105.1	124.8	-178.8	-59.5	166.8	0	0	0	109	M90 A96 W98	M90-I94 HydrophobicContact CE-CD1 4.06Å; M90-I94 HydrophobicContact CG-CD1 3.82Å; M90-I94 HydrophobicContact CG-CG1 4.41Å; M90-I94 PolarHBondContact O-N 3.45Å; M90-I94 HydrophobicContact SD-CD1 4.38Å; I94-A96 VanDerWaalsContact C-N 3.28Å; I94-A96 HydrophobicContact CG2-CB 4.09Å; I94-A96 PolarHBondContact O-N 3.24Å; I94-W98 HydrophobicContact CB-CZ2 3.81Å; I94-W98 HydrophobicContact CD1-CH2 4.33Å; I94-W98 HydrophobicContact CD1-CZ2 4.05Å; I94-W98 HydrophobicContact CG1-CZ2 4.45Å; I94-W98 HydrophobicContact CG2-CZ2 4.13Å; I94-W98 PolarHBondContact O-NE1 2.83Å
95	E	67.3	Low	80.8	Confident	121 Å²	121	53.1 Å²	53.1	57%	0.565	28%	0.284	S	S	*	.			trans	-75.9	76.9	175.1	-63.8	-175.6	164	0	0	111.1	F18 P21	F18-E95 WeakPolarHBondContact CB-OE2 3.48Å; F18-E95 WeakPolarHBondContact CG-OE2 3.39Å; P21-E95 HydrophobicContact CG-CG 4.27Å
96	A	75.6	Confident	81	Confident	36 Å²	36	51.7 Å²	51.7	30%	0.298	28%	0.277	S	S	.	.	S	Bend	trans	-125.7	157.8	174.3	0	0	0	0	0	111.3	I94 W98	I94-A96 VanDerWaalsContact C-N 3.28Å; I94-A96 HydrophobicContact CG2-CB 4.09Å; I94-A96 PolarHBondContact O-N 3.24Å; A96-W98 VanDerWaalsContact C-N 3.26Å; A96-W98 HydrophobicContact CB-CD2 4.48Å; A96-W98 PolarHBondContact O-N 3.33Å
97	N	81.6	Confident	81.3	Confident	79 Å²	79	56.2 Å²	56.2	42%	0.422	30%	0.297	S	S	.	.			trans	-79.5	80.2	167.7	-172.6	-8	0	0	0	109.4	N99 F100 L101	N97-N99 PolarHBondContact O-N 3.43Å; N97-F100 HydrophobicContact CB-CB 4.12Å; N97-F100 PolarHBondContact O-N 2.89Å; N97-F100 VanDerWaalsContact O-N 3.08Å; N97-F100 PolarHBondContact OD1-N 2.95Å; N97-L101 PolarHBondContact O-N 3.1Å
98	W	81.8	Confident	81.6	Confident	8 Å²	8	56.1 Å²	56.1	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-30.9	-176.7	-70.1	100.3	0	0	0	113.3	V23 M85 V91 I94 A96 L101 D102	V23-W98 HydrophobicContact CG2-CB 3.87Å; V23-W98 HydrophobicContact CG2-CG 3.75Å; M85-W98 HydrophobicContact CE-CH2 4.45Å; M85-W98 HydrophobicContact CE-CZ3 4.06Å; M85-W98 HydrophobicContact SD-CH2 4.07Å; M85-W98 HydrophobicContact SD-CZ3 4.28Å; V91-W98 VanDerWaalsContact CA-CZ2 3.46Å; V91-W98 HydrophobicContact CB-CD2 4.29Å; V91-W98 HydrophobicContact CB-CH2 4.45Å; V91-W98 HydrophobicContact CB-CZ2 4.14Å; V91-W98 HydrophobicContact CG1-CD2 4Å; V91-W98 HydrophobicContact CG1-CG 4.03Å; V91-W98 HydrophobicContact CG2-CD2 3.88Å; V91-W98 HydrophobicContact CG2-CE3 3.69Å; V91-W98 HydrophobicContact CG2-CH2 3.65Å; V91-W98 HydrophobicContact CG2-CZ2 3.83Å; V91-W98 HydrophobicContact CG2-CZ3 3.59Å; V91-W98 PolarHBondContact O-NE1 2.79Å; I94-W98 HydrophobicContact CB-CZ2 3.81Å; I94-W98 HydrophobicContact CD1-CH2 4.33Å; I94-W98 HydrophobicContact CD1-CZ2 4.05Å; I94-W98 HydrophobicContact CG1-CZ2 4.45Å; I94-W98 HydrophobicContact CG2-CZ2 4.13Å; I94-W98 PolarHBondContact O-NE1 2.83Å; A96-W98 VanDerWaalsContact C-N 3.26Å; A96-W98 HydrophobicContact CB-CD2 4.48Å; A96-W98 PolarHBondContact O-N 3.33Å; W98-L101 HydrophobicContact CE3-CD2 3.83Å; W98-L101 HydrophobicContact CZ3-CD2 3.74Å; W98-L101 PolarHBondContact O-N 2.79Å; W98-D102 WeakPolarHBondContact O-CB 3.24Å; W98-D102 PolarHBondContact O-N 3.07Å
99	N	80.9	Confident	81.8	Confident	18 Å²	18	52.8 Å²	52.8	10%	0.096	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-38.2	174.5	-66	-5.5	0	0	0	112.4	R22 T24 N97 F103 R173	R22-N99 PolarHBondContact O-OD1 3.19Å; T24-N99 PolarHBondContact N-OD1 2.7Å; T24-N99 PolarHBondContact OG1-ND2 2.97Å; T24-N99 PolarHBondContact OG1-OD1 3.12Å; T24-N99 VanDerWaalsContact OG1-OD1 3.13Å; N97-N99 PolarHBondContact O-N 3.43Å; N99-F103 WeakPolarHBondContact O-CB 3.36Å; N99-F103 PolarHBondContact O-N 2.68Å; N99-F103 VanDerWaalsContact O-N 3.1Å; N99-R173 PolarHBondContact ND2-O 3.3Å
100	F	82.5	Confident	82.3	Confident	102 Å²	102	55 Å²	55	45%	0.447	28%	0.281	S	S	.	.	H	α-helix	trans	-69.7	-40.7	173.3	174.9	-101.7	0	0	0	111.3	N97 F103 A104 W174	N97-F100 HydrophobicContact CB-CB 4.12Å; N97-F100 PolarHBondContact O-N 2.89Å; N97-F100 VanDerWaalsContact O-N 3.08Å; N97-F100 PolarHBondContact OD1-N 2.95Å; F100-F103 PolarHBondContact O-N 3.22Å; F100-A104 HydrophobicContact CE1-CB 4.42Å; F100-A104 HydrophobicContact CZ-CB 4.45Å; F100-A104 VanDerWaalsContact O-CB 3.31Å; F100-A104 WeakPolarHBondContact O-CB 3.49Å; F100-A104 PolarHBondContact O-N 3.4Å; F100-W174 AromaticContact CD2-NE1 3.71Å
101	L	86.3	Confident	82.9	Confident	76 Å²	76	54.4 Å²	54.4	40%	0.398	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-43.3	178.5	-173.1	64.5	0	0	0	111.8	N97 W98 A104 Y105	N97-L101 PolarHBondContact O-N 3.1Å; W98-L101 HydrophobicContact CE3-CD2 3.83Å; W98-L101 HydrophobicContact CZ3-CD2 3.74Å; W98-L101 PolarHBondContact O-N 2.79Å; L101-A104 PolarHBondContact O-N 2.96Å; L101-Y105 WeakPolarHBondContact O-CB 3.34Å; L101-Y105 PolarHBondContact O-N 3.05Å
102	D	85.9	Confident	83.4	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.011	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-50	172	-178.7	66.9	0	0	0	111.1	F82 W98 H106 A170 R173	F82-D102 WeakPolarHBondContact CE1-OD1 3.14Å; F82-D102 HydrophobicContact CZ-CB 3.85Å; F82-D102 VanDerWaalsContact CZ-OD1 3.29Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.38Å; W98-D102 WeakPolarHBondContact O-CB 3.24Å; W98-D102 PolarHBondContact O-N 3.07Å; D102-H106 PolarHBondContact O-CD2 3.13Å; D102-H106 PolarHBondContact O-N 3.27Å; D102-H106 IonicContact OD1-CD2 3.17Å; D102-H106 PolarHBondContact OD1-CD2 3.44Å; D102-H106 IonicContact OD1-NE2 3.31Å; D102-H106 PolarHBondContact OD1-NE2 2.94Å; D102-A170 WeakPolarHBondContact OD2-CA 3.39Å; D102-A170 WeakPolarHBondContact OD2-CB 3.38Å; D102-R173 IonicContact OD1-NH2 2.66Å; D102-R173 IonicContact OD2-CZ 3.56Å; D102-R173 IonicContact OD2-NE 3.59Å; D102-R173 PolarHBondContact OD2-NE 3.02Å; D102-R173 IonicContact OD2-NH2 3.35Å; D102-R173 PolarHBondContact OD2-NH2 2.68Å
103	F	86.5	Confident	83.9	Confident	30 Å²	30	55.1 Å²	55.1	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-51.3	176.2	168.5	-106.4	0	0	0	112.9	N99 F100 Y105 H106 F107 L167 A170 L171 W174	N99-F103 WeakPolarHBondContact O-CB 3.36Å; N99-F103 PolarHBondContact O-N 2.68Å; N99-F103 VanDerWaalsContact O-N 3.1Å; F100-F103 PolarHBondContact O-N 3.22Å; F103-Y105 VanDerWaalsContact C-N 3.31Å; F103-Y105 PolarHBondContact O-N 3.43Å; F103-H106 PolarHBondContact O-N 3.2Å; F103-F107 HydrophobicContact CE2-CB 4.31Å; F103-F107 HydrophobicContact CZ-CB 4.34Å; F103-F107 HydrophobicContact CZ-CG 4.46Å; F103-F107 WeakPolarHBondContact O-CB 3.42Å; F103-F107 PolarHBondContact O-N 3.32Å; F103-L167 HydrophobicContact CD2-CD1 3.56Å; F103-L167 HydrophobicContact CE2-CD1 3.44Å; F103-L167 VanDerWaalsContact CE2-CD1 3.44Å; F103-A170 HydrophobicContact CB-CB 4.16Å; F103-L171 HydrophobicContact CD2-CD2 3.58Å; F103-L171 HydrophobicContact CD2-CG 3.63Å; F103-L171 HydrophobicContact CE2-CD1 4.17Å; F103-L171 HydrophobicContact CE2-CD2 3.08Å; F103-L171 HydrophobicContact CE2-CG 3.39Å; F103-L171 HydrophobicContact CZ-CD2 3.75Å; F103-L171 HydrophobicContact CZ-CG 4.48Å; F103-W174 HydrophobicContact CB-CB 4.26Å; F103-W174 HydrophobicContact CD1-CD2 4.31Å; F103-W174 HydrophobicContact CD1-CE3 4.24Å; F103-W174 HydrophobicContact CE1-CE3 4.3Å; F103-W174 HydrophobicContact CE1-CZ3 4.3Å; F103-W174 HydrophobicContact CG-CE3 4.47Å
104	A	88.6	Confident	84.3	Confident	27 Å²	27	52.4 Å²	52.4	22%	0.223	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-43.1	-178.2	0	0	0	0	0	110.9	F100 L101 F107 T108	F100-A104 HydrophobicContact CE1-CB 4.42Å; F100-A104 HydrophobicContact CZ-CB 4.45Å; F100-A104 VanDerWaalsContact O-CB 3.31Å; F100-A104 WeakPolarHBondContact O-CB 3.49Å; F100-A104 PolarHBondContact O-N 3.4Å; L101-A104 PolarHBondContact O-N 2.96Å; A104-F107 PolarHBondContact O-N 3.49Å; A104-T108 WeakPolarHBondContact O-CB 3.14Å; A104-T108 PolarHBondContact O-N 2.85Å; A104-T108 PolarHBondContact O-OG1 3.19Å
105	Y	88.6	Confident	84.8	Confident	29 Å²	29	50.2 Å²	50.2	11%	0.114	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-57.3	175.8	172.7	-107.9	0	0	0	111.7	A75 F78 S79 L101 F103 F107 T108 V109	A75-Y105 PolarHBondContact O-OH 3.06Å; F78-Y105 HydrophobicContact CB-CD2 4.49Å; F78-Y105 HydrophobicContact CB-CE2 3.52Å; F78-Y105 HydrophobicContact CG-CE2 4.44Å; S79-Y105 VanDerWaalsContact CA-OH 3.27Å; S79-Y105 WeakPolarHBondContact CA-OH 3.42Å; S79-Y105 WeakPolarHBondContact CB-OH 3.18Å; S79-Y105 PolarHBondContact N-OH 3.36Å; S79-Y105 PolarHBondContact OG-OH 3.3Å; L101-Y105 WeakPolarHBondContact O-CB 3.34Å; L101-Y105 PolarHBondContact O-N 3.05Å; F103-Y105 VanDerWaalsContact C-N 3.31Å; F103-Y105 PolarHBondContact O-N 3.43Å; Y105-F107 VanDerWaalsContact C-N 3.26Å; Y105-F107 PolarHBondContact O-N 3.18Å; Y105-T108 PolarHBondContact O-N 2.66Å; Y105-V109 HydrophobicContact CD2-CG2 3.99Å; Y105-V109 HydrophobicContact CE1-CG2 4.49Å; Y105-V109 HydrophobicContact CE2-CG2 3.47Å; Y105-V109 VanDerWaalsContact CE2-CG2 3.47Å; Y105-V109 WeakPolarHBondContact O-CG2 3.41Å; Y105-V109 PolarHBondContact O-N 2.99Å
106	H	89.3	Confident	85.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-33.6	-178.5	-72.5	-61.8	0	0	0	112	E43 D102 F103 F110 Y163 L167	E43-H106 IonicContact OE1-CE1 3.85Å; E43-H106 IonicContact OE1-ND1 3.88Å; E43-H106 IonicContact OE2-CE1 3.54Å; E43-H106 IonicContact OE2-ND1 3.91Å; D102-H106 PolarHBondContact O-CD2 3.13Å; D102-H106 PolarHBondContact O-N 3.27Å; D102-H106 IonicContact OD1-CD2 3.17Å; D102-H106 PolarHBondContact OD1-CD2 3.44Å; D102-H106 IonicContact OD1-NE2 3.31Å; D102-H106 PolarHBondContact OD1-NE2 2.94Å; F103-H106 PolarHBondContact O-N 3.2Å; H106-F110 WeakPolarHBondContact O-CB 3.34Å; H106-F110 PolarHBondContact O-N 2.98Å; H106-Y163 AromaticContact ND1-CD1 3.86Å; H106-L167 HydrophobicContact CB-CB 4.15Å; H106-L167 HydrophobicContact CB-CD1 4.36Å
107	F	89.4	Confident	85.7	Confident	99 Å²	99	45.5 Å²	45.5	43%	0.434	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-50.2	175.9	177.7	-105.3	0	0	0	111.6	F103 A104 Y105 F110 V111 L167	F103-F107 HydrophobicContact CE2-CB 4.31Å; F103-F107 HydrophobicContact CZ-CB 4.34Å; F103-F107 HydrophobicContact CZ-CG 4.46Å; F103-F107 WeakPolarHBondContact O-CB 3.42Å; F103-F107 PolarHBondContact O-N 3.32Å; A104-F107 PolarHBondContact O-N 3.49Å; Y105-F107 VanDerWaalsContact C-N 3.26Å; Y105-F107 PolarHBondContact O-N 3.18Å; F107-F110 PolarHBondContact O-N 2.91Å; F107-V111 HydrophobicContact CE1-CG2 4.28Å; F107-V111 HydrophobicContact CE2-CG2 4.14Å; F107-V111 HydrophobicContact CZ-CG2 3.99Å; F107-V111 WeakPolarHBondContact O-CG2 3.32Å; F107-V111 PolarHBondContact O-N 2.96Å; F107-L167 HydrophobicContact CB-CD1 3.7Å; F107-L167 HydrophobicContact CD2-CD1 4.37Å; F107-L167 HydrophobicContact CD2-CD2 4.09Å
108	T	89.1	Confident	85.8	Confident	68 Å²	68	46.5 Å²	46.5	42%	0.417	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-51.8	179	-65.8	0	0	0	0	110.3	A104 Y105 F110 V111 F112	A104-T108 WeakPolarHBondContact O-CB 3.14Å; A104-T108 PolarHBondContact O-N 2.85Å; A104-T108 PolarHBondContact O-OG1 3.19Å; Y105-T108 PolarHBondContact O-N 2.66Å; T108-F110 VanDerWaalsContact C-N 3.33Å; T108-F110 PolarHBondContact O-N 2.98Å; T108-V111 PolarHBondContact O-N 3.4Å; T108-F112 HydrophobicContact CG2-CD2 3.67Å; T108-F112 HydrophobicContact CG2-CE2 3.5Å; T108-F112 WeakPolarHBondContact O-CD2 3.18Å; T108-F112 PolarHBondContact O-N 2.89Å; T108-F112 VanDerWaalsContact O-N 3.09Å
109	V	88.4	Confident	85.7	Confident	12 Å²	12	49.9 Å²	49.9	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-39.5	-178.5	-179.8	0	0	0	0	111.7	A75 Y105 V111 F112 Y113 Y163	A75-V109 HydrophobicContact CB-CG1 3.73Å; Y105-V109 HydrophobicContact CD2-CG2 3.99Å; Y105-V109 HydrophobicContact CE1-CG2 4.49Å; Y105-V109 HydrophobicContact CE2-CG2 3.47Å; Y105-V109 VanDerWaalsContact CE2-CG2 3.47Å; Y105-V109 WeakPolarHBondContact O-CG2 3.41Å; Y105-V109 PolarHBondContact O-N 2.99Å; V109-V111 PolarHBondContact O-N 2.89Å; V109-F112 PolarHBondContact O-N 3.43Å; V109-Y113 HydrophobicContact CG1-CD2 3.7Å; V109-Y113 HydrophobicContact CG1-CE2 4.15Å; V109-Y113 WeakPolarHBondContact O-CB 3.34Å; V109-Y113 PolarHBondContact O-N 3.33Å; V109-Y163 HydrophobicContact CB-CD1 4.19Å; V109-Y163 HydrophobicContact CB-CE1 4.14Å; V109-Y163 HydrophobicContact CG1-CD1 3.8Å; V109-Y163 HydrophobicContact CG1-CD2 3.74Å; V109-Y163 HydrophobicContact CG1-CE1 3.54Å; V109-Y163 HydrophobicContact CG1-CE2 3.46Å; V109-Y163 VanDerWaalsContact CG1-CE2 3.46Å; V109-Y163 HydrophobicContact CG1-CG 3.92Å
110	F	87.6	Confident	85.5	Confident	62 Å²	62	49.1 Å²	49.1	27%	0.272	25%	0.25	S	C	.	.	H	α-helix	trans	-56.3	-47.2	173.7	171.3	-98	0	0	0	112.3	H106 F107 T108 Y113 F114 T160 L167	H106-F110 WeakPolarHBondContact O-CB 3.34Å; H106-F110 PolarHBondContact O-N 2.98Å; F107-F110 PolarHBondContact O-N 2.91Å; T108-F110 VanDerWaalsContact C-N 3.33Å; T108-F110 PolarHBondContact O-N 2.98Å; F110-Y113 PolarHBondContact O-N 2.96Å; F110-F114 VanDerWaalsContact O-CB 3.25Å; F110-F114 WeakPolarHBondContact O-CB 3.43Å; F110-F114 PolarHBondContact O-N 3.36Å; F110-T160 HydrophobicContact CD2-CG2 4.06Å; F110-T160 HydrophobicContact CE2-CG2 3.92Å; F110-L167 HydrophobicContact CB-CD2 4.18Å; F110-L167 HydrophobicContact CD1-CD2 4.03Å; F110-L167 HydrophobicContact CG-CD2 4.06Å
111	V	89.6	Confident	85.2	Confident	72 Å²	72	46 Å²	46	44%	0.436	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-43.7	179.3	172.4	0	0	0	0	111.4	F107 T108 V109 F114 G115	F107-V111 HydrophobicContact CE1-CG2 4.28Å; F107-V111 HydrophobicContact CE2-CG2 4.14Å; F107-V111 HydrophobicContact CZ-CG2 3.99Å; F107-V111 WeakPolarHBondContact O-CG2 3.32Å; F107-V111 PolarHBondContact O-N 2.96Å; T108-V111 PolarHBondContact O-N 3.4Å; V109-V111 PolarHBondContact O-N 2.89Å; V111-F114 PolarHBondContact O-N 3.26Å; V111-G115 PolarHBondContact O-N 3.31Å
112	F	88.3	Confident	84.8	Confident	88 Å²	88	44.8 Å²	44.8	39%	0.386	24%	0.244	S	C	.	.	H	α-helix	trans	-64.6	-43.8	178	-80.7	-75.2	0	0	0	112.2	W67 V71 T108 V109 G115 A116	W67-F112 AromaticContact CH2-CD1 3.8Å; W67-F112 HydrophobicContact CH2-CD1 3.8Å; W67-F112 AromaticContact CH2-CE1 3.76Å; W67-F112 HydrophobicContact CH2-CE1 3.76Å; W67-F112 AromaticContact CZ2-CD1 3.73Å; W67-F112 HydrophobicContact CZ2-CD1 3.73Å; W67-F112 HydrophobicContact CZ2-CE1 4.15Å; V71-F112 HydrophobicContact CG1-CB 3.81Å; V71-F112 HydrophobicContact CG2-CB 4.09Å; V71-F112 HydrophobicContact CG2-CD1 4.21Å; T108-F112 HydrophobicContact CG2-CD2 3.67Å; T108-F112 HydrophobicContact CG2-CE2 3.5Å; T108-F112 WeakPolarHBondContact O-CD2 3.18Å; T108-F112 PolarHBondContact O-N 2.89Å; T108-F112 VanDerWaalsContact O-N 3.09Å; V109-F112 PolarHBondContact O-N 3.43Å; F112-G115 PolarHBondContact O-N 3.31Å; F112-A116 PolarHBondContact O-N 3.44Å
113	Y	83.6	Confident	84	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-67.6	-37.2	177.2	-104.7	-79.1	0	0	0	112.8	G47 V71 S72 A75 V109 F110 G115 A116 F117 T159 Y163	G47-Y113 WeakPolarHBondContact CA-OH 3.27Å; V71-Y113 HydrophobicContact CG1-CD2 3.82Å; V71-Y113 HydrophobicContact CG1-CE2 4.07Å; V71-Y113 HydrophobicContact CG1-CG 4.13Å; S72-Y113 WeakPolarHBondContact CA-OH 3.15Å; S72-Y113 WeakPolarHBondContact CB-OH 3.25Å; S72-Y113 PolarHBondContact OG-OH 3.4Å; A75-Y113 HydrophobicContact CB-CD2 4.33Å; A75-Y113 HydrophobicContact CB-CE2 3.59Å; V109-Y113 HydrophobicContact CG1-CD2 3.7Å; V109-Y113 HydrophobicContact CG1-CE2 4.15Å; V109-Y113 WeakPolarHBondContact O-CB 3.34Å; V109-Y113 PolarHBondContact O-N 3.33Å; F110-Y113 PolarHBondContact O-N 2.96Å; Y113-G115 VanDerWaalsContact C-N 3.3Å; Y113-G115 PolarHBondContact O-N 2.97Å; Y113-A116 WeakPolarHBondContact O-CB 3.36Å; Y113-A116 PolarHBondContact O-N 2.91Å; Y113-F117 WeakPolarHBondContact O-CB 3.29Å; Y113-F117 PolarHBondContact O-N 3.44Å; Y113-T159 HydrophobicContact CD1-CG2 4Å; Y113-T159 HydrophobicContact CD2-CG2 4.35Å; Y113-T159 HydrophobicContact CE1-CG2 3.51Å; Y113-T159 HydrophobicContact CE2-CG2 3.89Å; Y113-T159 HydrophobicContact CG-CG2 4.39Å; Y113-T159 VanDerWaalsContact CZ-CG2 3.45Å; Y113-Y163 AromaticContact CD2-CD2 3.84Å; Y113-Y163 HydrophobicContact CD2-CD2 3.84Å; Y113-Y163 AromaticContact CD2-CE2 3.67Å; Y113-Y163 HydrophobicContact CD2-CE2 3.67Å; Y113-Y163 HydrophobicContact CE2-CD2 4.18Å; Y113-Y163 AromaticContact CE2-CE2 3.55Å; Y113-Y163 HydrophobicContact CE2-CE2 3.55Å; Y113-Y163 HydrophobicContact CG-CD2 4.34Å
114	F	84.4	Confident	83.2	Confident	99 Å²	99	45.4 Å²	45.4	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-41.9	171.5	-177.5	-101.8	0	0	0	111.2	F110 V111 F117 L118 T160	F110-F114 VanDerWaalsContact O-CB 3.25Å; F110-F114 WeakPolarHBondContact O-CB 3.43Å; F110-F114 PolarHBondContact O-N 3.36Å; V111-F114 PolarHBondContact O-N 3.26Å; F114-F117 PolarHBondContact O-N 2.86Å; F114-L118 WeakPolarHBondContact O-CB 3.43Å; F114-L118 PolarHBondContact O-N 3.4Å; F114-T160 HydrophobicContact CB-CG2 4.35Å
115	G	85.4	Confident	82.3	Confident	26 Å²	26	47.3 Å²	47.3	27%	0.268	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-43	172.6	0	0	0	0	0	113	V111 F112 Y113 L118 L119	V111-G115 PolarHBondContact O-N 3.31Å; F112-G115 PolarHBondContact O-N 3.31Å; Y113-G115 VanDerWaalsContact C-N 3.3Å; Y113-G115 PolarHBondContact O-N 2.97Å; G115-L118 PolarHBondContact O-N 3.28Å; G115-L119 WeakPolarHBondContact O-CB 3.12Å; G115-L119 PolarHBondContact O-N 3.4Å
116	A	83.1	Confident	81.1	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-46.9	175.4	0	0	0	0	0	112	V68 V71 F112 Y113 L118 L119 E120	V68-A116 HydrophobicContact CG2-CB 4.09Å; V71-A116 HydrophobicContact CG1-CB 4.45Å; F112-A116 PolarHBondContact O-N 3.44Å; Y113-A116 WeakPolarHBondContact O-CB 3.36Å; Y113-A116 PolarHBondContact O-N 2.91Å; A116-L118 PolarHBondContact O-N 3.31Å; A116-L119 PolarHBondContact O-N 3.2Å; A116-E120 WeakPolarHBondContact O-CB 3.25Å; A116-E120 PolarHBondContact O-N 3.04Å
117	F	79.8	Confident	79.7	Confident	57 Å²	57	54.9 Å²	54.9	25%	0.25	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-46.3	174.6	165.1	-105	0	0	0	112.1	Y113 F114 L119 E120 A121 F157	Y113-F117 WeakPolarHBondContact O-CB 3.29Å; Y113-F117 PolarHBondContact O-N 3.44Å; F114-F117 PolarHBondContact O-N 2.86Å; F117-L119 VanDerWaalsContact C-N 3.35Å; F117-L119 PolarHBondContact O-N 2.88Å; F117-E120 PolarHBondContact O-N 2.84Å; F117-A121 WeakPolarHBondContact O-CB 3.23Å; F117-A121 PolarHBondContact O-N 2.88Å; F117-F157 HydrophobicContact CD2-CB 4.18Å; F117-F157 HydrophobicContact CD2-CD2 4.47Å; F117-F157 HydrophobicContact CE2-CB 4.26Å; F117-F157 HydrophobicContact CE2-CD2 4.11Å; F117-F157 HydrophobicContact CZ-CD2 4.31Å
118	L	82.4	Confident	78	Confident	100 Å²	100	55.6 Å²	55.6	52%	0.524	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-39.6	-177.7	-158.1	73.2	0	0	0	111.9	F114 G115 A116 A122	F114-L118 WeakPolarHBondContact O-CB 3.43Å; F114-L118 PolarHBondContact O-N 3.4Å; G115-L118 PolarHBondContact O-N 3.28Å; A116-L118 PolarHBondContact O-N 3.31Å; L118-A122 WeakPolarHBondContact O-CB 3.38Å; L118-A122 PolarHBondContact O-N 3.43Å
119	L	80.4	Confident	76.1	Confident	78 Å²	78	58 Å²	58	41%	0.408	32%	0.322	S	S	.	.	H	α-helix	trans	-68.2	-39.8	178.5	-146.1	69	0	0	0	110.7	L64 W67 G115 A116 F117 A122 A123	L64-L119 HydrophobicContact CB-CD2 4.47Å; L64-L119 HydrophobicContact CD1-CB 3.35Å; L64-L119 HydrophobicContact CD1-CD2 3.58Å; L64-L119 HydrophobicContact CD1-CG 3.38Å; L64-L119 WeakPolarHBondContact CD1-O 3.21Å; W67-L119 HydrophobicContact CB-CD2 4.16Å; W67-L119 HydrophobicContact CG-CD2 4.1Å; G115-L119 WeakPolarHBondContact O-CB 3.12Å; G115-L119 PolarHBondContact O-N 3.4Å; A116-L119 PolarHBondContact O-N 3.2Å; F117-L119 VanDerWaalsContact C-N 3.35Å; F117-L119 PolarHBondContact O-N 2.88Å; L119-A122 PolarHBondContact O-N 3.24Å; L119-A123 PolarHBondContact O-N 3.46Å
120	E	75.8	Confident	74.1	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.009	36%	0.358	C	S	.	.	H	α-helix	trans	-69.1	-39.4	177.8	-159.7	80.1	161.8	0	0	112.2	L64 A116 F117 A123 T124 N149 T153	L64-E120 WeakPolarHBondContact CD1-OE2 3.46Å; L64-E120 WeakPolarHBondContact CG-OE2 3.09Å; A116-E120 WeakPolarHBondContact O-CB 3.25Å; A116-E120 PolarHBondContact O-N 3.04Å; F117-E120 PolarHBondContact O-N 2.84Å; E120-A123 PolarHBondContact O-N 3.37Å; E120-T124 PolarHBondContact O-N 3.41Å; E120-T124 PolarHBondContact O-OG1 2.88Å; E120-N149 VanDerWaalsContact OE1-CG 3.3Å; E120-N149 PolarHBondContact OE1-ND2 3.42Å; E120-N149 PolarHBondContact OE1-OD1 3.43Å; E120-T153 HydrophobicContact CB-CG2 3.88Å; E120-T153 HydrophobicContact CG-CG2 3.17Å
121	A	77.1	Confident	72	Confident	37 Å²	37	68.2 Å²	68.2	31%	0.306	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-41.6	172.1	0	0	0	0	0	111.6	F117 T124 S125	F117-A121 WeakPolarHBondContact O-CB 3.23Å; F117-A121 PolarHBondContact O-N 2.88Å; A121-T124 PolarHBondContact O-N 3.16Å; A121-S125 PolarHBondContact O-N 3.38Å
122	A	78.2	Confident	69.9	Low	51 Å²	51	72.7 Å²	72.7	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-46	176.5	0	0	0	0	0	111.8	L118 L119 T124 S125 L126	L118-A122 WeakPolarHBondContact O-CB 3.38Å; L118-A122 PolarHBondContact O-N 3.43Å; L119-A122 PolarHBondContact O-N 3.24Å; A122-T124 PolarHBondContact O-N 3.43Å; A122-S125 PolarHBondContact O-N 2.86Å; A122-S125 PolarHBondContact O-OG 2.69Å; A122-L126 WeakPolarHBondContact O-CB 3.35Å; A122-L126 PolarHBondContact O-N 3.39Å
123	A	69.5	Low	67.9	Low	17 Å²	17	73.1 Å²	73.1	14%	0.14	41%	0.411	C	S	.	.	H	α-helix	trans	-68.4	-34.6	177	0	0	0	0	0	113.9	L61 L64 L119 E120 S125 L126 H127	L61-A123 HydrophobicContact CD1-CB 4.11Å; L64-A123 HydrophobicContact CD2-CB 3.02Å; L119-A123 PolarHBondContact O-N 3.46Å; E120-A123 PolarHBondContact O-N 3.37Å; A123-S125 VanDerWaalsContact C-N 3.3Å; A123-S125 PolarHBondContact O-N 3.3Å; A123-L126 PolarHBondContact O-N 2.85Å; A123-H127 PolarHBondContact O-N 3.45Å
124	T	68.3	Low	65.9	Low	27 Å²	27	79.8 Å²	79.8	17%	0.166	45%	0.452	C	S	.	.	H	α-helix	trans	-62.5	-41.4	173.2	-53.1	0	0	0	0	110.3	E120 A121 A122 H127 Y146	E120-T124 PolarHBondContact O-N 3.41Å; E120-T124 PolarHBondContact O-OG1 2.88Å; A121-T124 PolarHBondContact O-N 3.16Å; A122-T124 PolarHBondContact O-N 3.43Å; T124-H127 WeakPolarHBondContact O-CB 3.4Å; T124-H127 PolarHBondContact O-N 3.26Å; T124-Y146 HydrophobicContact CG2-CE2 4.29Å
125	S	69.3	Low	64	Low	67 Å²	67	82.2 Å²	82.2	47%	0.469	47%	0.466	S	S	.	.	H	α-helix	trans	-68.5	-32.8	174.7	74.7	0	0	0	0	113.8	A121 A122 A123 H127 D128 L129	A121-S125 PolarHBondContact O-N 3.38Å; A122-S125 PolarHBondContact O-N 2.86Å; A122-S125 PolarHBondContact O-OG 2.69Å; A123-S125 VanDerWaalsContact C-N 3.3Å; A123-S125 PolarHBondContact O-N 3.3Å; S125-H127 VanDerWaalsContact C-N 3.3Å; S125-D128 PolarHBondContact O-N 3.23Å; S125-L129 PolarHBondContact O-N 3.5Å
126	L	65.1	Low	61.8	Low	124 Å²	124	88.1 Å²	88.1	65%	0.649	50%	0.497	S	S	*	.	H	α-helix	trans	-70	-30.4	176.5	-160.7	84.9	0	0	0	111.4	A122 A123 D128 L129	A122-L126 WeakPolarHBondContact O-CB 3.35Å; A122-L126 PolarHBondContact O-N 3.39Å; A123-L126 PolarHBondContact O-N 2.85Å; L126-D128 VanDerWaalsContact C-N 3.3Å; L126-D128 PolarHBondContact O-N 3.3Å; L126-L129 PolarHBondContact O-N 2.95Å
127	H	58.1	Low	60	Low	65 Å²	65	94.4 Å²	94.4	30%	0.301	53%	0.53	S	S	.	.	H	α-helix	trans	-63.7	-35.3	174	-170.1	68	0	0	0	112.3	A123 T124 S125 L129 Y146	A123-H127 PolarHBondContact O-N 3.45Å; T124-H127 WeakPolarHBondContact O-CB 3.4Å; T124-H127 PolarHBondContact O-N 3.26Å; S125-H127 VanDerWaalsContact C-N 3.3Å; H127-L129 VanDerWaalsContact C-N 3.33Å; H127-Y146 AromaticContact CD2-CD2 3.62Å; H127-Y146 AromaticContact CD2-CE2 3.88Å; H127-Y146 AromaticContact NE2-CD2 3.93Å
128	D	54.1	Low	58.4	Low	113 Å²	113	100 Å²	100	60%	0.604	56%	0.557	S	S	*	*	H	α-helix	trans	-75.4	-20.9	175.8	-73.5	-19.6	0	0	0	113.1	S125 L126 H130	S125-D128 PolarHBondContact O-N 3.23Å; L126-D128 VanDerWaalsContact C-N 3.3Å; L126-D128 PolarHBondContact O-N 3.3Å; D128-H130 PolarHBondContact O-N 2.88Å
129	L	49.4	Very low	56.7	Low	120 Å²	120	100.3 Å²	100.3	63%	0.628	57%	0.565	S	S	*	*	S	Bend	trans	-76.8	88.8	171.1	-108.8	131.5	0	0	0	109.2	S125 L126 H127 C131	S125-L129 PolarHBondContact O-N 3.5Å; L126-L129 PolarHBondContact O-N 2.95Å; H127-L129 VanDerWaalsContact C-N 3.33Å; L129-C131 VanDerWaalsContact C-N 3.32Å; L129-C131 PolarHBondContact O-N 3.28Å
130	H	46	Very low	55.4	Low	182 Å²	182	102 Å²	102	84%	0.843	57%	0.574	S	S	*	*			trans	-50.3	99.2	158.9	-85	99.5	0	0	0	108.6	D128 N132	D128-H130 PolarHBondContact O-N 2.88Å; H130-N132 VanDerWaalsContact C-N 3.34Å; H130-N132 PolarHBondContact O-N 2.89Å
131	C	45.3	Very low	54.3	Low	105 Å²	105	102.8 Å²	102.8	71%	0.709	58%	0.578	S	S	*	*			trans	-58.8	102.6	166	-95.3	0	0	0	0	107.2	L129 T133	L129-C131 VanDerWaalsContact C-N 3.32Å; L129-C131 PolarHBondContact O-N 3.28Å; C131-T133 PolarHBondContact O-N 2.94Å
132	N	45	Very low	53.6	Low	167 Å²	167	103.9 Å²	103.9	89%	0.893	58%	0.584	S	S	*	*			trans	-70.7	44.5	163.5	-167.5	20.8	0	0	0	110.1	H130	H130-N132 VanDerWaalsContact C-N 3.34Å; H130-N132 PolarHBondContact O-N 2.89Å
133	T	45.1	Very low	52.9	Low	96 Å²	96	108 Å²	108	59%	0.589	60%	0.598	S	S	*	*	S	Bend	trans	-109.1	121.2	172.5	-55.3	0	0	0	0	104.9	C131 M135	C131-T133 PolarHBondContact O-N 2.94Å; T133-M135 PolarHBondContact O-N 2.9Å
134	T	42.9	Very low	52.6	Low	142 Å²	142	112.8 Å²	112.8	87%	0.871	62%	0.622	S	S	*	*	S	Bend	trans	-57.2	68.7	-175.9	46.2	0	0	0	0	113.3
135	M	43.4	Very low	52.4	Low	149 Å²	149	113.9 Å²	113.9	73%	0.734	63%	0.625	S	S	*	*			trans	-135.3	121.5	163.5	-79.1	-155.4	141.5	0	0	106.8	T133 L137	T133-M135 PolarHBondContact O-N 2.9Å; M135-L137 HydrophobicContact CB-CG 4.44Å; M135-L137 PolarHBondContact O-N 3.5Å
136	T	40.3	Very low	52.3	Low	150 Å²	150	114.3 Å²	114.3	92%	0.92	62%	0.617	S	S	*	*			trans	-61.8	78.1	168.2	47.6	0	0	0	0	109.1
137	L	45.2	Very low	52.7	Low	133 Å²	133	112.9 Å²	112.9	70%	0.696	61%	0.61	S	S	*	*			trans	-95.4	114.3	166.1	-72.5	-175.1	0	0	0	107.3	M135	M135-L137 HydrophobicContact CB-CG 4.44Å; M135-L137 PolarHBondContact O-N 3.5Å
138	Q	46.1	Very low	53.3	Low	174 Å²	174	112 Å²	112	81%	0.813	61%	0.607	S	S	*	*			trans	-45.3	152.9	158.6	-73	173.2	-67.2	0	0	109.6	L140	Q138-L140 PolarHBondContact O-N 3.25Å
139	P	47.2	Very low	54.1	Low	108 Å²	108	107.3 Å²	107.3	70%	0.701	58%	0.582	S	S	*	*			trans	-46.5	120.9	177.8	19.3	-32	0	0	0	109.5	L141	P139-L141 PolarHBondContact O-N 2.69Å
140	L	52.3	Low	55.3	Low	114 Å²	114	103.6 Å²	103.6	60%	0.597	56%	0.564	S	S	*	*	S	Bend	trans	-60.7	-16	-172	-160.5	75.5	0	0	0	112.1	L61 Q138	L61-L140 HydrophobicContact CD2-CD2 4.27Å; Q138-L140 PolarHBondContact O-N 3.25Å
141	L	52.6	Low	56.8	Low	17 Å²	17	96.3 Å²	96.3	9%	0.089	54%	0.535	C	S	.	.	S	Bend	trans	-137	137.5	177.9	-69.8	162.6	0	0	0	109	P60 P139 Q145	P60-L141 HydrophobicContact CB-CD2 3.49Å; P60-L141 VanDerWaalsContact CB-CD2 3.49Å; P60-L141 HydrophobicContact CG-CD2 3.19Å; P139-L141 PolarHBondContact O-N 2.69Å; L141-Q145 HydrophobicContact CB-CB 4.25Å; L141-Q145 HydrophobicContact CD2-CB 3.67Å
142	S	61.6	Low	58.3	Low	61 Å²	61	91.4 Å²	91.4	43%	0.427	50%	0.502	S	S	.	.			trans	-69.5	153.5	165	58.5	0	0	0	0	110.7	N144 Q145 Y146	S142-N144 PolarHBondContact O-N 2.92Å; S142-Q145 PolarHBondContact O-N 3.41Å; S142-Q145 WeakPolarHBondContact OG-CG 3.46Å; S142-Q145 PolarHBondContact OG-OE1 3.42Å; S142-Y146 PolarHBondContact O-N 3.42Å; S142-Y146 VanDerWaalsContact O-N 3.13Å
143	D	63.6	Low	59.8	Low	136 Å²	136	84.5 Å²	84.5	73%	0.727	47%	0.466	S	S	*	.	H	α-helix	trans	-50.2	-34.6	179.8	-65.8	-25.4	0	0	0	113	N147	D143-N147 VanDerWaalsContact O-CG 3.29Å; D143-N147 PolarHBondContact O-N 3.09Å; D143-N147 VanDerWaalsContact O-N 3.11Å; D143-N147 PolarHBondContact O-ND2 2.9Å
144	N	64.1	Low	61.5	Low	119 Å²	119	84.4 Å²	84.4	64%	0.636	46%	0.461	S	S	*	.	H	α-helix	trans	-65.9	-40	175.5	-85.5	-24.4	0	0	0	113.1	S142 N147 I148	S142-N144 PolarHBondContact O-N 2.92Å; N144-N147 PolarHBondContact O-N 3.06Å; N144-I148 WeakPolarHBondContact O-CD1 3.31Å; N144-I148 VanDerWaalsContact O-CG1 3.25Å; N144-I148 WeakPolarHBondContact O-CG1 3.49Å; N144-I148 PolarHBondContact O-N 3.22Å; N144-I148 VanDerWaalsContact O-N 3.13Å
145	Q	63.4	Low	63.3	Low	49 Å²	49	80.7 Å²	80.7	23%	0.229	43%	0.433	C	S	.	.	H	α-helix	trans	-71.6	-36	179	-67.5	167.6	-56.1	0	0	111.4	S57 L141 S142 I148 N149	S57-Q145 PolarHBondContact O-NE2 2.83Å; L141-Q145 HydrophobicContact CB-CB 4.25Å; L141-Q145 HydrophobicContact CD2-CB 3.67Å; S142-Q145 PolarHBondContact O-N 3.41Å; S142-Q145 WeakPolarHBondContact OG-CG 3.46Å; S142-Q145 PolarHBondContact OG-OE1 3.42Å; Q145-I148 PolarHBondContact O-N 2.95Å; Q145-N149 WeakPolarHBondContact O-CB 3.25Å; Q145-N149 PolarHBondContact O-N 3.25Å
146	Y	67.4	Low	64.9	Low	77 Å²	77	73.7 Å²	73.7	30%	0.302	40%	0.399	S	S	.	.	H	α-helix	trans	-58.8	-49.7	172	176.1	-97.3	0	0	0	111.4	T124 H127 S142 I148 N149 V150	T124-Y146 HydrophobicContact CG2-CE2 4.29Å; H127-Y146 AromaticContact CD2-CD2 3.62Å; H127-Y146 AromaticContact CD2-CE2 3.88Å; H127-Y146 AromaticContact NE2-CD2 3.93Å; S142-Y146 PolarHBondContact O-N 3.42Å; S142-Y146 VanDerWaalsContact O-N 3.13Å; Y146-I148 VanDerWaalsContact C-N 3.3Å; Y146-I148 PolarHBondContact O-N 2.97Å; Y146-N149 WeakPolarHBondContact O-CB 3.14Å; Y146-N149 PolarHBondContact O-N 3.36Å; Y146-N149 VanDerWaalsContact O-N 3.14Å; Y146-V150 HydrophobicContact CD1-CG2 4.21Å; Y146-V150 HydrophobicContact CE1-CG2 3.82Å; Y146-V150 HydrophobicContact CE2-CG2 4.18Å; Y146-V150 WeakPolarHBondContact O-CG2 3.31Å; Y146-V150 PolarHBondContact O-N 3.13Å
147	N	74.4	Confident	66.9	Low	94 Å²	94	71.9 Å²	71.9	50%	0.503	38%	0.379	S	S	.	.	H	α-helix	trans	-60.4	-38	178.4	-70.7	-28.9	0	0	0	112.9	D143 N144 A151	D143-N147 VanDerWaalsContact O-CG 3.29Å; D143-N147 PolarHBondContact O-N 3.09Å; D143-N147 VanDerWaalsContact O-N 3.11Å; D143-N147 PolarHBondContact O-ND2 2.9Å; N144-N147 PolarHBondContact O-N 3.06Å; N147-A151 WeakPolarHBondContact O-CB 3.22Å; N147-A151 PolarHBondContact O-N 3.48Å
148	I	69.4	Low	68.7	Low	46 Å²	46	69.7 Å²	69.7	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-68.4	-40.6	176.5	-64.1	162.2	0	0	0	110.9	L53 N144 Q145 Y146 A151 A152	L53-I148 HydrophobicContact CB-CG2 4.46Å; L53-I148 WeakPolarHBondContact O-CG2 3.33Å; N144-I148 WeakPolarHBondContact O-CD1 3.31Å; N144-I148 VanDerWaalsContact O-CG1 3.25Å; N144-I148 WeakPolarHBondContact O-CG1 3.49Å; N144-I148 PolarHBondContact O-N 3.22Å; N144-I148 VanDerWaalsContact O-N 3.13Å; Q145-I148 PolarHBondContact O-N 2.95Å; Y146-I148 VanDerWaalsContact C-N 3.3Å; Y146-I148 PolarHBondContact O-N 2.97Å; I148-A151 PolarHBondContact O-N 2.93Å; I148-A152 WeakPolarHBondContact O-CB 3.23Å; I148-A152 PolarHBondContact O-N 3.06Å
149	N	71.3	Confident	70.4	Confident	14 Å²	14	61.4 Å²	61.4	8%	0.075	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-43.6	176.7	-147.8	69.4	0	0	0	111.2	E120 Q145 Y146 A151 A152 T153	E120-N149 VanDerWaalsContact OE1-CG 3.3Å; E120-N149 PolarHBondContact OE1-ND2 3.42Å; E120-N149 PolarHBondContact OE1-OD1 3.43Å; Q145-N149 WeakPolarHBondContact O-CB 3.25Å; Q145-N149 PolarHBondContact O-N 3.25Å; Y146-N149 WeakPolarHBondContact O-CB 3.14Å; Y146-N149 PolarHBondContact O-N 3.36Å; Y146-N149 VanDerWaalsContact O-N 3.14Å; N149-A151 PolarHBondContact O-N 3.09Å; N149-A152 WeakPolarHBondContact O-CB 3.32Å; N149-A152 PolarHBondContact O-N 3.18Å; N149-T153 WeakPolarHBondContact O-CG2 3.29Å; N149-T153 PolarHBondContact O-N 2.91Å
150	V	75.3	Confident	72.3	Confident	42 Å²	42	56.8 Å²	56.8	26%	0.255	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-45.2	174.4	173	0	0	0	0	110.8	Y146 A152 T153 I154	Y146-V150 HydrophobicContact CD1-CG2 4.21Å; Y146-V150 HydrophobicContact CE1-CG2 3.82Å; Y146-V150 HydrophobicContact CE2-CG2 4.18Å; Y146-V150 WeakPolarHBondContact O-CG2 3.31Å; Y146-V150 PolarHBondContact O-N 3.13Å; V150-A152 VanDerWaalsContact C-N 3.32Å; V150-A152 PolarHBondContact O-N 3.11Å; V150-T153 PolarHBondContact O-N 3.42Å; V150-T153 PolarHBondContact O-OG1 3.33Å; V150-I154 HydrophobicContact CG1-CD1 4.09Å; V150-I154 WeakPolarHBondContact O-CG1 3.37Å; V150-I154 PolarHBondContact O-N 3.24Å; V150-I154 VanDerWaalsContact O-N 3.13Å
151	A	77.2	Confident	73.8	Confident	29 Å²	29	53.5 Å²	53.5	24%	0.24	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-43	175	0	0	0	0	0	111.9	L53 N147 I148 N149 T153 I154 F155	L53-A151 HydrophobicContact CD2-CB 3.65Å; N147-A151 WeakPolarHBondContact O-CB 3.22Å; N147-A151 PolarHBondContact O-N 3.48Å; I148-A151 PolarHBondContact O-N 2.93Å; N149-A151 PolarHBondContact O-N 3.09Å; A151-T153 PolarHBondContact O-N 2.99Å; A151-I154 PolarHBondContact O-N 3.46Å; A151-F155 HydrophobicContact CB-CE2 4.49Å; A151-F155 WeakPolarHBondContact O-CD2 3.46Å; A151-F155 PolarHBondContact O-N 3.2Å
152	A	75.6	Confident	75.3	Confident	2 Å²	2	53.2 Å²	53.2	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-42.4	175.6	0	0	0	0	0	112.2	V54 I148 N149 V150 I154 F155 A156	V54-A152 HydrophobicContact CG2-CB 4.26Å; I148-A152 WeakPolarHBondContact O-CB 3.23Å; I148-A152 PolarHBondContact O-N 3.06Å; N149-A152 WeakPolarHBondContact O-CB 3.32Å; N149-A152 PolarHBondContact O-N 3.18Å; V150-A152 VanDerWaalsContact C-N 3.32Å; V150-A152 PolarHBondContact O-N 3.11Å; A152-I154 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 3.14Å; A152-F155 PolarHBondContact O-N 2.9Å; A152-A156 VanDerWaalsContact O-CB 3.23Å; A152-A156 WeakPolarHBondContact O-CB 3.37Å; A152-A156 PolarHBondContact O-N 3.48Å
153	T	76.8	Confident	76.5	Confident	22 Å²	22	50.3 Å²	50.3	14%	0.135	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-43.6	175.2	64.4	0	0	0	0	112.1	E120 N149 V150 A151 A156 F157	E120-T153 HydrophobicContact CB-CG2 3.88Å; E120-T153 HydrophobicContact CG-CG2 3.17Å; N149-T153 WeakPolarHBondContact O-CG2 3.29Å; N149-T153 PolarHBondContact O-N 2.91Å; V150-T153 PolarHBondContact O-N 3.42Å; V150-T153 PolarHBondContact O-OG1 3.33Å; A151-T153 PolarHBondContact O-N 2.99Å; T153-A156 PolarHBondContact O-N 3.31Å; T153-F157 WeakPolarHBondContact O-CB 3.18Å; T153-F157 PolarHBondContact O-N 3.22Å
154	I	82.5	Confident	77.5	Confident	94 Å²	94	45 Å²	45	48%	0.482	24%	0.242	S	C	.	.	H	α-helix	trans	-65.9	-46.5	-177.8	-66	166.3	0	0	0	109.8	V150 A151 A152 F157 M158	V150-I154 HydrophobicContact CG1-CD1 4.09Å; V150-I154 WeakPolarHBondContact O-CG1 3.37Å; V150-I154 PolarHBondContact O-N 3.24Å; V150-I154 VanDerWaalsContact O-N 3.13Å; A151-I154 PolarHBondContact O-N 3.46Å; A152-I154 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 3.14Å; I154-F157 WeakPolarHBondContact O-CB 3.41Å; I154-F157 PolarHBondContact O-N 2.9Å; I154-M158 VanDerWaalsContact O-CG 3.31Å; I154-M158 WeakPolarHBondContact O-CG 3.47Å; I154-M158 PolarHBondContact O-N 2.96Å
155	F	80.4	Confident	78.6	Confident	64 Å²	64	42.4 Å²	42.4	28%	0.281	23%	0.233	S	C	.	.	H	α-helix	trans	-67.6	-36.3	177.4	-71.4	-63.2	0	0	0	112.4	F46 L49 V50 L53 A151 A152 F157 M158 T159	F46-F155 HydrophobicContact CD1-CD1 4.03Å; F46-F155 HydrophobicContact CD1-CE1 4.4Å; L49-F155 HydrophobicContact CD1-CE1 4.4Å; V50-F155 HydrophobicContact CG2-CB 3.66Å; L53-F155 HydrophobicContact CD2-CD2 3.86Å; L53-F155 HydrophobicContact CD2-CE2 4Å; A151-F155 HydrophobicContact CB-CE2 4.49Å; A151-F155 WeakPolarHBondContact O-CD2 3.46Å; A151-F155 PolarHBondContact O-N 3.2Å; A152-F155 PolarHBondContact O-N 2.9Å; F155-F157 VanDerWaalsContact C-N 3.34Å; F155-M158 PolarHBondContact O-N 2.63Å; F155-T159 WeakPolarHBondContact O-CB 3.48Å; F155-T159 PolarHBondContact O-N 2.85Å; F155-T159 PolarHBondContact O-OG1 3.37Å
156	A	77.3	Confident	79.6	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-39.9	173.5	0	0	0	0	0	111.5	V50 A152 T153 T159 T160	V50-A156 HydrophobicContact CG2-CB 4.34Å; A152-A156 VanDerWaalsContact O-CB 3.23Å; A152-A156 WeakPolarHBondContact O-CB 3.37Å; A152-A156 PolarHBondContact O-N 3.48Å; T153-A156 PolarHBondContact O-N 3.31Å; A156-T159 PolarHBondContact O-N 3.25Å; A156-T160 WeakPolarHBondContact O-CB 3.46Å; A156-T160 PolarHBondContact O-N 3.01Å; A156-T160 PolarHBondContact O-OG1 3.13Å
157	F	81.1	Confident	80.6	Confident	113 Å²	113	37.2 Å²	37.2	50%	0.496	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-48.9	173.7	175.8	-99	0	0	0	111.8	F117 T153 I154 F155 T159 T160 A161	F117-F157 HydrophobicContact CD2-CB 4.18Å; F117-F157 HydrophobicContact CD2-CD2 4.47Å; F117-F157 HydrophobicContact CE2-CB 4.26Å; F117-F157 HydrophobicContact CE2-CD2 4.11Å; F117-F157 HydrophobicContact CZ-CD2 4.31Å; T153-F157 WeakPolarHBondContact O-CB 3.18Å; T153-F157 PolarHBondContact O-N 3.22Å; I154-F157 WeakPolarHBondContact O-CB 3.41Å; I154-F157 PolarHBondContact O-N 2.9Å; F155-F157 VanDerWaalsContact C-N 3.34Å; F157-T159 VanDerWaalsContact C-N 3.3Å; F157-T159 PolarHBondContact O-N 3.1Å; F157-T160 WeakPolarHBondContact O-CB 3.38Å; F157-T160 PolarHBondContact O-N 3.13Å; F157-T160 VanDerWaalsContact O-N 3.16Å; F157-A161 PolarHBondContact O-N 2.87Å
158	M	84.1	Confident	81	Confident	87 Å²	87	34.1 Å²	34.1	43%	0.429	20%	0.203	S	C	.	.	H	α-helix	trans	-58.9	-43	176.8	-67.7	-65.5	-76.7	0	0	111.5	I154 F155 A161 C162	I154-M158 VanDerWaalsContact O-CG 3.31Å; I154-M158 WeakPolarHBondContact O-CG 3.47Å; I154-M158 PolarHBondContact O-N 2.96Å; F155-M158 PolarHBondContact O-N 2.63Å; M158-A161 PolarHBondContact O-N 3.43Å; M158-C162 PolarHBondContact O-N 3.05Å; M158-C162 PolarHBondContact O-SG 3.02Å
159	T	82.1	Confident	81.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-43.8	176.2	-53.7	0	0	0	0	111.4	F46 Y113 F155 A156 F157 A161 C162 Y163	F46-T159 WeakPolarHBondContact CB-OG1 3.42Å; Y113-T159 HydrophobicContact CD1-CG2 4Å; Y113-T159 HydrophobicContact CD2-CG2 4.35Å; Y113-T159 HydrophobicContact CE1-CG2 3.51Å; Y113-T159 HydrophobicContact CE2-CG2 3.89Å; Y113-T159 HydrophobicContact CG-CG2 4.39Å; Y113-T159 VanDerWaalsContact CZ-CG2 3.45Å; F155-T159 WeakPolarHBondContact O-CB 3.48Å; F155-T159 PolarHBondContact O-N 2.85Å; F155-T159 PolarHBondContact O-OG1 3.37Å; A156-T159 PolarHBondContact O-N 3.25Å; F157-T159 VanDerWaalsContact C-N 3.3Å; F157-T159 PolarHBondContact O-N 3.1Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.07Å; T159-C162 PolarHBondContact O-N 3.02Å; T159-Y163 HydrophobicContact CG2-CD2 3.69Å; T159-Y163 HydrophobicContact CG2-CE2 3.45Å; T159-Y163 VanDerWaalsContact CG2-CE2 3.45Å; T159-Y163 VanDerWaalsContact O-CD2 3.25Å; T159-Y163 WeakPolarHBondContact O-CD2 3.41Å; T159-Y163 PolarHBondContact O-N 3.47Å
160	T	85.3	Confident	82.3	Confident	10 Å²	10	33.8 Å²	33.8	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-41.2	176.4	-53.7	0	0	0	0	111.3	F110 F114 A156 F157 Y163 G164	F110-T160 HydrophobicContact CD2-CG2 4.06Å; F110-T160 HydrophobicContact CE2-CG2 3.92Å; F114-T160 HydrophobicContact CB-CG2 4.35Å; A156-T160 WeakPolarHBondContact O-CB 3.46Å; A156-T160 PolarHBondContact O-N 3.01Å; A156-T160 PolarHBondContact O-OG1 3.13Å; F157-T160 WeakPolarHBondContact O-CB 3.38Å; F157-T160 PolarHBondContact O-N 3.13Å; F157-T160 VanDerWaalsContact O-N 3.16Å; T160-Y163 PolarHBondContact O-N 3.47Å; T160-G164 PolarHBondContact O-N 3.35Å
161	A	84.6	Confident	82.8	Confident	45 Å²	45	34.8 Å²	34.8	37%	0.372	21%	0.205	S	C	.	.	H	α-helix	trans	-64.6	-42.4	176.1	0	0	0	0	0	111.7	F157 M158 T159 G164 C165	F157-A161 PolarHBondContact O-N 2.87Å; M158-A161 PolarHBondContact O-N 3.43Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.07Å; A161-G164 PolarHBondContact O-N 3.47Å; A161-C165 PolarHBondContact O-N 3.01Å; A161-C165 PolarHBondContact O-SG 2.94Å; A161-C165 VanDerWaalsContact O-SG 3.4Å
162	C	85.1	Confident	83	Confident	12 Å²	12	43 Å²	43	8%	0.081	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-50.9	173.6	-67	0	0	0	0	111.4	E43 M158 T159 G164 C165 S166	E43-C162 HydrophobicContact CG-CB 3.86Å; M158-C162 PolarHBondContact O-N 3.05Å; M158-C162 PolarHBondContact O-SG 3.02Å; T159-C162 PolarHBondContact O-N 3.02Å; C162-G164 VanDerWaalsContact C-N 3.25Å; C162-G164 PolarHBondContact O-N 2.83Å; C162-C165 WeakPolarHBondContact O-CB 3.48Å; C162-C165 PolarHBondContact O-N 3.35Å; C162-C165 VanDerWaalsContact O-N 3.12Å; C162-S166 PolarHBondContact O-N 3.4Å; C162-S166 PolarHBondContact O-OG 3.02Å
163	Y	85.8	Confident	83.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-35.3	175.9	-79.3	-60.9	0	0	0	112.4	E43 S79 H106 V109 Y113 T159 T160 S166 L167	E43-Y163 HydrophobicContact CB-CE1 3.95Å; E43-Y163 HydrophobicContact CB-CE2 4.22Å; E43-Y163 HydrophobicContact CG-CD1 3.83Å; E43-Y163 HydrophobicContact CG-CD2 4.28Å; E43-Y163 HydrophobicContact CG-CE1 3.66Å; E43-Y163 HydrophobicContact CG-CE2 4.13Å; E43-Y163 HydrophobicContact CG-CG 4.12Å; E43-Y163 WeakPolarHBondContact OE1-CD1 3.41Å; E43-Y163 WeakPolarHBondContact OE2-CE1 3.41Å; S79-Y163 PolarHBondContact OG-OH 3.36Å; H106-Y163 AromaticContact ND1-CD1 3.86Å; V109-Y163 HydrophobicContact CB-CD1 4.19Å; V109-Y163 HydrophobicContact CB-CE1 4.14Å; V109-Y163 HydrophobicContact CG1-CD1 3.8Å; V109-Y163 HydrophobicContact CG1-CD2 3.74Å; V109-Y163 HydrophobicContact CG1-CE1 3.54Å; V109-Y163 HydrophobicContact CG1-CE2 3.46Å; V109-Y163 VanDerWaalsContact CG1-CE2 3.46Å; V109-Y163 HydrophobicContact CG1-CG 3.92Å; Y113-Y163 AromaticContact CD2-CD2 3.84Å; Y113-Y163 HydrophobicContact CD2-CD2 3.84Å; Y113-Y163 AromaticContact CD2-CE2 3.67Å; Y113-Y163 HydrophobicContact CD2-CE2 3.67Å; Y113-Y163 HydrophobicContact CE2-CD2 4.18Å; Y113-Y163 AromaticContact CE2-CE2 3.55Å; Y113-Y163 HydrophobicContact CE2-CE2 3.55Å; Y113-Y163 HydrophobicContact CG-CD2 4.34Å; T159-Y163 HydrophobicContact CG2-CD2 3.69Å; T159-Y163 HydrophobicContact CG2-CE2 3.45Å; T159-Y163 VanDerWaalsContact CG2-CE2 3.45Å; T159-Y163 VanDerWaalsContact O-CD2 3.25Å; T159-Y163 WeakPolarHBondContact O-CD2 3.41Å; T159-Y163 PolarHBondContact O-N 3.47Å; T160-Y163 PolarHBondContact O-N 3.47Å; Y163-S166 PolarHBondContact O-N 3.23Å; Y163-L167 WeakPolarHBondContact O-CB 3.31Å; Y163-L167 PolarHBondContact O-N 3.49Å
164	G	84.9	Confident	83.1	Confident	24 Å²	24	49.4 Å²	49.4	25%	0.247	25%	0.251	C	S	.	.	H	α-helix	trans	-65.7	-41.4	174.1	0	0	0	0	0	113.1	T160 A161 C162 L167 G168	T160-G164 PolarHBondContact O-N 3.35Å; A161-G164 PolarHBondContact O-N 3.47Å; C162-G164 VanDerWaalsContact C-N 3.25Å; C162-G164 PolarHBondContact O-N 2.83Å; G164-L167 PolarHBondContact O-N 3.34Å; G164-G168 PolarHBondContact O-N 2.9Å
165	C	86.3	Confident	82.6	Confident	65 Å²	65	54 Å²	54	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-47	173.3	-70.4	0	0	0	0	111.4	F39 A161 C162 L167 G168 L169	F39-C165 HydrophobicContact CD1-CB 4.39Å; F39-C165 HydrophobicContact CE1-CB 4.01Å; F39-C165 HydrophobicContact CE2-CB 4.48Å; F39-C165 HydrophobicContact CZ-CB 4.07Å; A161-C165 PolarHBondContact O-N 3.01Å; A161-C165 PolarHBondContact O-SG 2.94Å; A161-C165 VanDerWaalsContact O-SG 3.4Å; C162-C165 WeakPolarHBondContact O-CB 3.48Å; C162-C165 PolarHBondContact O-N 3.35Å; C162-C165 VanDerWaalsContact O-N 3.12Å; C165-L167 VanDerWaalsContact C-N 3.32Å; C165-L167 PolarHBondContact O-N 3.33Å; C165-G168 WeakPolarHBondContact O-CA 3.49Å; C165-G168 PolarHBondContact O-N 3.47Å; C165-G168 VanDerWaalsContact O-N 3.1Å; C165-L169 WeakPolarHBondContact O-CG 3.25Å; C165-L169 PolarHBondContact O-N 3.02Å
166	S	85.9	Confident	81.4	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-41.8	176	-63	0	0	0	0	111.8	F39 E43 C162 Y163 G168 L169 A170	F39-S166 VanDerWaalsContact CB-OG 3.29Å; F39-S166 WeakPolarHBondContact CB-OG 3.44Å; E43-S166 WeakPolarHBondContact OE1-CB 3.45Å; E43-S166 PolarHBondContact OE1-OG 2.92Å; C162-S166 PolarHBondContact O-N 3.4Å; C162-S166 PolarHBondContact O-OG 3.02Å; Y163-S166 PolarHBondContact O-N 3.23Å; S166-G168 VanDerWaalsContact C-N 3.33Å; S166-G168 PolarHBondContact O-N 2.96Å; S166-L169 PolarHBondContact O-N 2.98Å; S166-A170 VanDerWaalsContact O-CB 3.29Å; S166-A170 WeakPolarHBondContact O-CB 3.33Å; S166-A170 PolarHBondContact O-N 3.49Å
167	L	86.8	Confident	81.6	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-42.7	172.3	176.5	59.9	0	0	0	111.7	F103 H106 F107 F110 Y163 G164 C165 A170 L171	F103-L167 HydrophobicContact CD2-CD1 3.56Å; F103-L167 HydrophobicContact CE2-CD1 3.44Å; F103-L167 VanDerWaalsContact CE2-CD1 3.44Å; H106-L167 HydrophobicContact CB-CB 4.15Å; H106-L167 HydrophobicContact CB-CD1 4.36Å; F107-L167 HydrophobicContact CB-CD1 3.7Å; F107-L167 HydrophobicContact CD2-CD1 4.37Å; F107-L167 HydrophobicContact CD2-CD2 4.09Å; F110-L167 HydrophobicContact CB-CD2 4.18Å; F110-L167 HydrophobicContact CD1-CD2 4.03Å; F110-L167 HydrophobicContact CG-CD2 4.06Å; Y163-L167 WeakPolarHBondContact O-CB 3.31Å; Y163-L167 PolarHBondContact O-N 3.49Å; G164-L167 PolarHBondContact O-N 3.34Å; C165-L167 VanDerWaalsContact C-N 3.32Å; C165-L167 PolarHBondContact O-N 3.33Å; L167-A170 PolarHBondContact O-N 3.26Å; L167-L171 HydrophobicContact CD1-CD1 4.42Å; L167-L171 HydrophobicContact CD1-CG 4.35Å; L167-L171 HydrophobicContact CG-CD1 4.2Å; L167-L171 VanDerWaalsContact O-CB 3.31Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.36Å
168	G	84.3	Confident	81.6	Confident	30 Å²	30	60.2 Å²	60.2	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-41.6	175.4	0	0	0	0	0	113	G164 C165 S166 R172	G164-G168 PolarHBondContact O-N 2.9Å; C165-G168 WeakPolarHBondContact O-CA 3.49Å; C165-G168 PolarHBondContact O-N 3.47Å; C165-G168 VanDerWaalsContact O-N 3.1Å; S166-G168 VanDerWaalsContact C-N 3.33Å; S166-G168 PolarHBondContact O-N 2.96Å; G168-R172 WeakPolarHBondContact O-CG 3.48Å; G168-R172 PolarHBondContact O-N 2.97Å; G168-R172 VanDerWaalsContact O-N 3.13Å
169	L	84.6	Confident	81.5	Confident	53 Å²	53	58.7 Å²	58.7	28%	0.277	31%	0.306	S	S	.	.	H	α-helix	trans	-67	-42.3	174	-65.5	175.8	0	0	0	111.4	F39 C165 S166 R172 R173	F39-L169 HydrophobicContact CD2-CD1 3.97Å; F39-L169 HydrophobicContact CE2-CD1 4.13Å; C165-L169 WeakPolarHBondContact O-CG 3.25Å; C165-L169 PolarHBondContact O-N 3.02Å; S166-L169 PolarHBondContact O-N 2.98Å; L169-R172 PolarHBondContact O-N 3.25Å; L169-R173 WeakPolarHBondContact O-CG 3.42Å; L169-R173 PolarHBondContact O-N 2.89Å; L169-R173 PolarHBondContact O-NE 2.8Å
170	A	83.6	Confident	81.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62	-43.4	175.9	0	0	0	0	0	112	D102 F103 S166 L167 R172 R173 W174	D102-A170 WeakPolarHBondContact OD2-CA 3.39Å; D102-A170 WeakPolarHBondContact OD2-CB 3.38Å; F103-A170 HydrophobicContact CB-CB 4.16Å; S166-A170 VanDerWaalsContact O-CB 3.29Å; S166-A170 WeakPolarHBondContact O-CB 3.33Å; S166-A170 PolarHBondContact O-N 3.49Å; L167-A170 PolarHBondContact O-N 3.26Å; A170-R172 VanDerWaalsContact C-N 3.34Å; A170-R172 PolarHBondContact O-N 2.94Å; A170-R173 CarbonylContact O-C 3.56Å; A170-R173 WeakPolarHBondContact O-CB 3.34Å; A170-R173 PolarHBondContact O-N 3.5Å; A170-W174 WeakPolarHBondContact O-CB 3.39Å; A170-W174 PolarHBondContact O-N 2.85Å
171	L	84.8	Confident	81.2	Confident	63 Å²	63	65.4 Å²	65.4	33%	0.33	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-43.4	173.7	-85.1	168.8	0	0	0	112.3	F103 L167 R173 W174 R175	F103-L171 HydrophobicContact CD2-CD2 3.58Å; F103-L171 HydrophobicContact CD2-CG 3.63Å; F103-L171 HydrophobicContact CE2-CD1 4.17Å; F103-L171 HydrophobicContact CE2-CD2 3.08Å; F103-L171 HydrophobicContact CE2-CG 3.39Å; F103-L171 HydrophobicContact CZ-CD2 3.75Å; F103-L171 HydrophobicContact CZ-CG 4.48Å; L167-L171 HydrophobicContact CD1-CD1 4.42Å; L167-L171 HydrophobicContact CD1-CG 4.35Å; L167-L171 HydrophobicContact CG-CD1 4.2Å; L167-L171 VanDerWaalsContact O-CB 3.31Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.36Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 2.75Å; L171-W174 HydrophobicContact CD2-CE3 4.18Å; L171-W174 PolarHBondContact O-N 2.83Å; L171-R175 PolarHBondContact O-N 2.7Å
172	R	82.3	Confident	81	Confident	202 Å²	202	66.8 Å²	66.8	76%	0.762	34%	0.338	S	S	*	.	H	α-helix	trans	-64.7	-30.8	175.1	-73.1	178.7	-179.1	-170	1.4	112.6	G168 L169 A170	G168-R172 WeakPolarHBondContact O-CG 3.48Å; G168-R172 PolarHBondContact O-N 2.97Å; G168-R172 VanDerWaalsContact O-N 3.13Å; L169-R172 PolarHBondContact O-N 3.25Å; A170-R172 VanDerWaalsContact C-N 3.34Å; A170-R172 PolarHBondContact O-N 2.94Å
173	R	80.3	Confident	80.7	Confident	49 Å²	49	70.7 Å²	70.7	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-80	-29.4	176	-70	179.7	-70.5	-150.1	-0.9	113	L25 S36 N99 D102 L169 A170 L171	L25-R173 VanDerWaalsContact CG-NH1 3.33Å; S36-R173 VanDerWaalsContact CB-NH1 3.28Å; S36-R173 PolarHBondContact OG-NH1 3.24Å; S36-R173 PolarHBondContact OG-NH2 3.37Å; S36-R173 VanDerWaalsContact OG-NH2 3.14Å; N99-R173 PolarHBondContact ND2-O 3.3Å; D102-R173 IonicContact OD1-NH2 2.66Å; D102-R173 IonicContact OD2-CZ 3.56Å; D102-R173 IonicContact OD2-NE 3.59Å; D102-R173 PolarHBondContact OD2-NE 3.02Å; D102-R173 IonicContact OD2-NH2 3.35Å; D102-R173 PolarHBondContact OD2-NH2 2.68Å; L169-R173 WeakPolarHBondContact O-CG 3.42Å; L169-R173 PolarHBondContact O-N 2.89Å; L169-R173 PolarHBondContact O-NE 2.8Å; A170-R173 CarbonylContact O-C 3.56Å; A170-R173 WeakPolarHBondContact O-CB 3.34Å; A170-R173 PolarHBondContact O-N 3.5Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 2.75Å
174	W	74	Confident	80.3	Confident	108 Å²	108	76.2 Å²	76.2	41%	0.409	38%	0.384	S	S	.	.	H	α-helix	trans	-83	-36.4	180	176.6	60.8	0	0	0	112.8	F100 F103 A170 L171 P176	F100-W174 AromaticContact CD2-NE1 3.71Å; F103-W174 HydrophobicContact CB-CB 4.26Å; F103-W174 HydrophobicContact CD1-CD2 4.31Å; F103-W174 HydrophobicContact CD1-CE3 4.24Å; F103-W174 HydrophobicContact CE1-CE3 4.3Å; F103-W174 HydrophobicContact CE1-CZ3 4.3Å; F103-W174 HydrophobicContact CG-CE3 4.47Å; A170-W174 WeakPolarHBondContact O-CB 3.39Å; A170-W174 PolarHBondContact O-N 2.85Å; L171-W174 HydrophobicContact CD2-CE3 4.18Å; L171-W174 PolarHBondContact O-N 2.83Å; W174-P176 WeakPolarHBondContact O-CD 3.47Å
175	R	71.3	Confident	79.9	Confident	190 Å²	190	80.5 Å²	80.5	72%	0.717	40%	0.396	S	S	*	.			trans	-73.1	121.2	171.5	-80.9	-176.8	73.9	147.1	0.1	109.9	L171	L171-R175 PolarHBondContact O-N 2.7Å
176	P	54.9	Low	79.3	Confident	190 Å²	190	81.9 Å²	81.9	100%	1.234	39%	0.392	S	S	*	.			trans	-70.5	0	174.8	30.4	-33.8	0	0	0	112.6	W174	W174-P176 WeakPolarHBondContact O-CD 3.47Å

Retrieved 176 of 176 residues in 946.9 ms (Link to these results)

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