A0A3Q0KKJ5_SCHMA Loading...

ADP-ribosylation factor-like protein 2-binding protein

Plays a role as an effector of the ADP-ribosylation factor-like protein 2, ARL2.

AlphaFold DB (A0A5K4EKT5), UniProt , Accession A0A3Q0KKJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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	37.8	Very low	42.7	Very low	226 Å²	226	148.5 Å²	148.5	100%	1.113	83%	0.826	S	S	*	*				0	100	0	-97.3	169.4	-106.2	0	0	105.7
2	E	39.2	Very low	42.9	Very low	161 Å²	161	147.1 Å²	147.1	75%	0.752	82%	0.816	S	S	*	*				74.4	125.7	94.5	-104.8	-168.4	102.4	0	0	109.2
3	L	38.5	Very low	43.1	Very low	145 Å²	145	146.5 Å²	146.5	76%	0.759	81%	0.81	S	S	*	*			cis	-149.4	131.2	18.9	-82.3	157.1	0	0	0	107.7
4	G	34.2	Very low	43.6	Very low	70 Å²	70	144.2 Å²	144.2	72%	0.722	80%	0.796	S	S	*	*			trans	-93.5	121.1	155.8	0	0	0	0	0	107
5	E	38.6	Very low	44	Very low	192 Å²	192	141.3 Å²	141.3	90%	0.897	78%	0.784	S	S	*	*			trans	164.6	101.7	150.3	-92.6	174.1	162	0	0	109.2
6	S	53	Low	44.2	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	78%	0.78	S	S	*	*			trans	-148.4	84.8	152.9	59.1	0	0	0	0	107.5	I8	S6-I8 PolarHBondContact O-N 3.14Å; S6-I8 VanDerWaalsContact O-N 3.14Å
7	Q	48.9	Very low	44.4	Very low	201 Å²	201	142.6 Å²	142.6	94%	0.939	79%	0.787	S	S	*	*			trans	-58.5	104.6	157.5	-78.8	-96.7	-36.3	0	0	106.9
8	I	50.4	Low	44.2	Very low	152 Å²	152	137.8 Å²	137.8	78%	0.779	78%	0.776	S	S	*	*			trans	-96.1	122.8	165.9	51.6	172.1	0	0	0	108	S6	S6-I8 PolarHBondContact O-N 3.14Å; S6-I8 VanDerWaalsContact O-N 3.14Å
9	D	43.7	Very low	44.4	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	78%	0.775	S	S	*	*			trans	-52.8	129.3	-174.9	-170.4	162.1	0	0	0	112.9	G11	D9-G11 PolarHBondContact O-N 2.96Å
10	N	43	Very low	44.4	Very low	159 Å²	159	140.5 Å²	140.5	85%	0.85	78%	0.782	S	S	*	*			trans	-74.3	73.6	172.1	-77.5	-43.3	0	0	0	110	N12	N10-N12 PolarHBondContact O-N 2.97Å; N10-N12 VanDerWaalsContact O-N 3.07Å
11	G	42.4	Very low	44.4	Very low	70 Å²	70	138.7 Å²	138.7	72%	0.722	78%	0.775	S	S	*	*			trans	-79.2	68.2	162.7	0	0	0	0	0	110.8	D9 D13	D9-G11 PolarHBondContact O-N 2.96Å; G11-D13 PolarHBondContact O-N 3.07Å
12	N	45.6	Very low	44.7	Very low	131 Å²	131	131.1 Å²	131.1	70%	0.701	76%	0.755	S	S	*	*			trans	-72.6	83.3	164.1	-174.6	35	0	0	0	107.4	N10 N14	N10-N12 PolarHBondContact O-N 2.97Å; N10-N12 VanDerWaalsContact O-N 3.07Å; N12-N14 PolarHBondContact O-N 2.81Å
13	D	45.7	Very low	45	Very low	139 Å²	139	127.1 Å²	127.1	74%	0.743	74%	0.744	S	S	*	*			trans	-68.9	68.7	166.8	-167.2	-108.6	0	0	0	108.3	G11 V15	G11-D13 PolarHBondContact O-N 3.07Å; D13-V15 VanDerWaalsContact C-N 3.28Å; D13-V15 PolarHBondContact O-N 3.38Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.37Å
14	N	49.4	Very low	45.6	Very low	115 Å²	115	129.1 Å²	129.1	62%	0.615	75%	0.75	S	S	*	*			trans	-86.2	83.1	166.1	-144.5	-70.7	0	0	0	104.9	N12 P16	N12-N14 PolarHBondContact O-N 2.81Å; N14-P16 WeakPolarHBondContact O-CD 3.06Å; N14-P16 VanDerWaalsContact O-N 3.07Å
15	V	50.5	Low	46.4	Very low	101 Å²	101	132.6 Å²	132.6	61%	0.612	75%	0.747	S	S	*	*			trans	-58	109.7	166.7	-179.5	0	0	0	0	105.8	D13 E17	D13-V15 VanDerWaalsContact C-N 3.28Å; D13-V15 PolarHBondContact O-N 3.38Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.37Å; V15-E17 PolarHBondContact O-N 3.28Å
16	P	46.9	Very low	47	Very low	111 Å²	111	127.7 Å²	127.7	72%	0.721	73%	0.732	S	S	*	*			trans	-70.7	112.4	174.4	-4	21.7	0	0	0	105.7	N14 G18	N14-P16 WeakPolarHBondContact O-CD 3.06Å; N14-P16 VanDerWaalsContact O-N 3.07Å; P16-G18 PolarHBondContact O-N 3.07Å
17	E	47.2	Very low	47.4	Very low	194 Å²	194	128 Å²	128	91%	0.907	73%	0.734	S	S	*	*			trans	-56.5	88.6	158	-78.5	-178.8	78.8	0	0	107.3	V15	V15-E17 PolarHBondContact O-N 3.28Å
18	G	41.4	Very low	48.7	Very low	56 Å²	56	120.9 Å²	120.9	58%	0.577	71%	0.707	S	S	*	*			trans	-65.4	134.7	168.4	0	0	0	0	0	108.3	P16 F20	P16-G18 PolarHBondContact O-N 3.07Å; G18-F20 PolarHBondContact O-N 3.31Å; G18-F20 VanDerWaalsContact O-N 3.09Å
19	P	46.8	Very low	50.2	Low	118 Å²	118	120.2 Å²	120.2	77%	0.766	71%	0.705	S	S	*	*			trans	-62.1	118.7	-174.2	-16.8	29.2	0	0	0	109.9	V21	P19-V21 HydrophobicContact CB-CG2 3.83Å; P19-V21 PolarHBondContact O-N 3.26Å
20	F	44.4	Very low	52.2	Low	210 Å²	210	113.4 Å²	113.4	92%	0.921	67%	0.668	S	S	*	*			trans	-66.7	78	161.6	-174.1	-94.8	0	0	0	107.5	G18	G18-F20 PolarHBondContact O-N 3.31Å; G18-F20 VanDerWaalsContact O-N 3.09Å
21	V	45.2	Very low	54.2	Low	104 Å²	104	108.8 Å²	108.8	63%	0.63	64%	0.643	S	S	*	*			trans	-108.8	85.4	169.9	176.9	0	0	0	0	105	P19 S23	P19-V21 HydrophobicContact CB-CG2 3.83Å; P19-V21 PolarHBondContact O-N 3.26Å; V21-S23 WeakPolarHBondContact CG1-OG 3.36Å; V21-S23 PolarHBondContact O-N 2.84Å
22	G	44.3	Very low	56.4	Low	66 Å²	66	108.8 Å²	108.8	68%	0.68	63%	0.627	S	S	*	*			trans	-66.3	66.6	160	0	0	0	0	0	109.1	Q24	G22-Q24 PolarHBondContact O-N 3.15Å
23	S	46.2	Very low	58.6	Low	77 Å²	77	103.2 Å²	103.2	54%	0.538	60%	0.597	S	S	.	*			trans	-74.1	81.6	157.8	-71	0	0	0	0	105.7	V21 E25	V21-S23 WeakPolarHBondContact CG1-OG 3.36Å; V21-S23 PolarHBondContact O-N 2.84Å; S23-E25 PolarHBondContact O-N 2.77Å
24	Q	49.4	Very low	60.6	Low	187 Å²	187	97.9 Å²	97.9	87%	0.874	57%	0.57	S	S	*	*			trans	-66.7	76.4	158.1	-74.6	-176.3	-56	0	0	106.7	G22	G22-Q24 PolarHBondContact O-N 3.15Å
25	E	51	Low	62.6	Low	143 Å²	143	94.1 Å²	94.1	67%	0.668	56%	0.558	S	S	*	*			trans	-55.3	130.7	156.6	-62.6	-74.9	111.2	0	0	105.6	S23 S27	S23-E25 PolarHBondContact O-N 2.77Å; E25-S27 VanDerWaalsContact C-N 3.29Å; E25-S27 PolarHBondContact O-N 3.09Å
26	P	51.2	Low	64.6	Low	89 Å²	89	91.1 Å²	91.1	58%	0.578	54%	0.538	S	S	*	.			trans	-60.1	97.2	176.8	24.3	-32.4	0	0	0	107.9	S28 D31	P26-S28 VanDerWaalsContact C-N 3.3Å; P26-S28 PolarHBondContact O-N 2.81Å; P26-D31 HydrophobicContact CB-CB 4.23Å
27	S	62.2	Low	66.7	Low	111 Å²	111	86.1 Å²	86.1	78%	0.776	50%	0.504	S	S	*	.			trans	-87.6	-2.8	-163.4	64.5	0	0	0	0	113	E25 D31	E25-S27 VanDerWaalsContact C-N 3.29Å; E25-S27 PolarHBondContact O-N 3.09Å; S27-D31 PolarHBondContact N-OD2 3.49Å
28	S	75.9	Confident	68.8	Low	52 Å²	52	81 Å²	81	36%	0.364	48%	0.481	S	S	.	.	S	Bend	trans	-142.2	157	178.1	72.8	0	0	0	0	112.7	P26 F30 D31 N32	P26-S28 VanDerWaalsContact C-N 3.3Å; P26-S28 PolarHBondContact O-N 2.81Å; S28-F30 PolarHBondContact O-N 2.89Å; S28-F30 PolarHBondContact OG-N 3.02Å; S28-D31 PolarHBondContact N-OD2 3.44Å; S28-D31 PolarHBondContact O-N 2.82Å; S28-D31 PolarHBondContact OG-N 2.82Å; S28-D31 VanDerWaalsContact OG-N 3.16Å; S28-D31 PolarHBondContact OG-OD2 2.73Å; S28-N32 PolarHBondContact O-N 2.83Å
29	D	82.8	Confident	71.2	Confident	139 Å²	139	83.1 Å²	83.1	74%	0.743	48%	0.475	S	S	*	.	H	α-helix	trans	-55.7	-30	171	-68.6	-53.7	0	0	0	112	V33	D29-V33 WeakPolarHBondContact O-CG2 3.31Å; D29-V33 PolarHBondContact O-N 3.2Å
30	F	85.4	Confident	73.4	Confident	9 Å²	9	77.5 Å²	77.5	4%	0.039	44%	0.439	C	S	.	.	H	α-helix	trans	-66.4	-50.1	176.7	178.1	-98.7	0	0	0	112	S28 N32 V33 V34 F102 N105 L106 N109 C112 F118	S28-F30 PolarHBondContact O-N 2.89Å; S28-F30 PolarHBondContact OG-N 3.02Å; F30-N32 PolarHBondContact O-N 3.25Å; F30-V33 PolarHBondContact O-N 3.19Å; F30-V34 HydrophobicContact CD1-CG2 4.13Å; F30-V34 HydrophobicContact CE1-CG2 3.71Å; F30-V34 HydrophobicContact CE2-CG2 4.26Å; F30-V34 HydrophobicContact CZ-CG2 3.79Å; F30-V34 WeakPolarHBondContact O-CG2 3.22Å; F30-V34 PolarHBondContact O-N 3.03Å; F30-F102 HydrophobicContact CD2-CD2 4.14Å; F30-F102 AromaticContact CD2-CE2 3.75Å; F30-F102 HydrophobicContact CD2-CE2 3.75Å; F30-F102 HydrophobicContact CE2-CD2 4.33Å; F30-F102 AromaticContact CE2-CE2 3.62Å; F30-F102 HydrophobicContact CE2-CE2 3.62Å; F30-F102 HydrophobicContact CE2-CZ 4.33Å; F30-N105 HydrophobicContact CD2-CB 3.85Å; F30-L106 HydrophobicContact CE2-CD2 3.59Å; F30-L106 HydrophobicContact CE2-CG 4.09Å; F30-L106 HydrophobicContact CZ-CD2 3.91Å; F30-N109 HydrophobicContact CE1-CB 4.48Å; F30-N109 HydrophobicContact CZ-CB 4.46Å; F30-C112 HydrophobicContact CE1-CB 4.33Å; F30-F118 HydrophobicContact CZ-CZ 4.04Å
31	D	85.6	Confident	75.6	Confident	63 Å²	63	67.9 Å²	67.9	34%	0.337	40%	0.397	S	S	.	.	H	α-helix	trans	-59.2	-37	179	-58.3	-45.8	0	0	0	111	P26 S27 S28 V34 G35	P26-D31 HydrophobicContact CB-CB 4.23Å; S27-D31 PolarHBondContact N-OD2 3.49Å; S28-D31 PolarHBondContact N-OD2 3.44Å; S28-D31 PolarHBondContact O-N 2.82Å; S28-D31 PolarHBondContact OG-N 2.82Å; S28-D31 VanDerWaalsContact OG-N 3.16Å; S28-D31 PolarHBondContact OG-OD2 2.73Å; D31-V34 PolarHBondContact O-N 2.67Å; D31-G35 PolarHBondContact O-N 3.22Å
32	N	88.2	Confident	77.7	Confident	70 Å²	70	68 Å²	68	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-64.5	-40.8	176.4	-168.3	35.5	0	0	0	112.4	S28 F30 H36	S28-N32 PolarHBondContact O-N 2.83Å; F30-N32 PolarHBondContact O-N 3.25Å; N32-H36 PolarHBondContact O-CD2 3.21Å; N32-H36 PolarHBondContact O-N 2.91Å; N32-H36 VanDerWaalsContact O-N 3.16Å
33	V	90.3	Very high	80	Confident	13 Å²	13	66 Å²	66	8%	0.079	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-42.5	174.7	178.7	0	0	0	0	110.9	D29 F30 H36 L37 L90 I94 F97 F102	D29-V33 WeakPolarHBondContact O-CG2 3.31Å; D29-V33 PolarHBondContact O-N 3.2Å; F30-V33 PolarHBondContact O-N 3.19Å; V33-H36 PolarHBondContact O-N 3.33Å; V33-L37 HydrophobicContact CG1-CD1 4.41Å; V33-L37 PolarHBondContact O-N 3.19Å; V33-L90 HydrophobicContact CG1-CD1 4.3Å; V33-L90 HydrophobicContact CG1-CD2 4.15Å; V33-I94 HydrophobicContact CB-CD1 4.24Å; V33-I94 HydrophobicContact CG1-CD1 4.48Å; V33-I94 HydrophobicContact CG2-CD1 3.62Å; V33-F97 HydrophobicContact CG1-CE2 3.95Å; V33-F97 HydrophobicContact CG2-CD2 4.37Å; V33-F97 HydrophobicContact CG2-CE2 3.96Å; V33-F102 HydrophobicContact CB-CD2 3.88Å; V33-F102 HydrophobicContact CB-CE2 3.8Å; V33-F102 HydrophobicContact CG1-CD1 4.26Å; V33-F102 HydrophobicContact CG1-CD2 3.48Å; V33-F102 VanDerWaalsContact CG1-CD2 3.48Å; V33-F102 HydrophobicContact CG1-CE1 4.17Å; V33-F102 HydrophobicContact CG1-CE2 3.38Å; V33-F102 HydrophobicContact CG1-CG 3.92Å; V33-F102 HydrophobicContact CG1-CZ 3.75Å; V33-F102 HydrophobicContact CG2-CD2 4.19Å
34	V	89	Confident	82.1	Confident	27 Å²	27	66.4 Å²	66.4	16%	0.164	36%	0.364	C	S	.	.	H	α-helix	trans	-61.9	-44.1	178.2	175	0	0	0	0	111.2	F30 D31 H36 L37 E38 F118	F30-V34 HydrophobicContact CD1-CG2 4.13Å; F30-V34 HydrophobicContact CE1-CG2 3.71Å; F30-V34 HydrophobicContact CE2-CG2 4.26Å; F30-V34 HydrophobicContact CZ-CG2 3.79Å; F30-V34 WeakPolarHBondContact O-CG2 3.22Å; F30-V34 PolarHBondContact O-N 3.03Å; D31-V34 PolarHBondContact O-N 2.67Å; V34-H36 VanDerWaalsContact C-N 3.29Å; V34-H36 PolarHBondContact O-N 2.97Å; V34-L37 WeakPolarHBondContact O-CB 3.15Å; V34-L37 PolarHBondContact O-N 3.16Å; V34-L37 VanDerWaalsContact O-N 3.13Å; V34-E38 PolarHBondContact O-N 3.47Å; V34-F118 HydrophobicContact CG1-CE2 4.43Å; V34-F118 HydrophobicContact CG2-CE2 4.35Å; V34-F118 HydrophobicContact CG2-CZ 3.83Å
35	G	90.1	Very high	84.1	Confident	36 Å²	36	62 Å²	62	37%	0.371	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-36.9	175.4	0	0	0	0	0	113	D31 E39	D31-G35 PolarHBondContact O-N 3.22Å; G35-E39 PolarHBondContact O-N 3.16Å; G35-E39 VanDerWaalsContact O-N 3.16Å
36	H	92.4	Very high	86	Confident	39 Å²	39	55.5 Å²	55.5	18%	0.181	31%	0.313	C	S	.	.	H	α-helix	trans	-70	-36.8	173	-74.1	-44.9	0	0	0	113.3	N32 V33 V34 E38 E39 I40 L90 I94	N32-H36 PolarHBondContact O-CD2 3.21Å; N32-H36 PolarHBondContact O-N 2.91Å; N32-H36 VanDerWaalsContact O-N 3.16Å; V33-H36 PolarHBondContact O-N 3.33Å; V34-H36 VanDerWaalsContact C-N 3.29Å; V34-H36 PolarHBondContact O-N 2.97Å; H36-E38 VanDerWaalsContact C-N 3.35Å; H36-E39 PolarHBondContact O-N 2.94Å; H36-I40 VanDerWaalsContact O-CD1 3.31Å; H36-I40 WeakPolarHBondContact O-CD1 3.46Å; H36-I40 WeakPolarHBondContact O-CG1 3.34Å; H36-I40 PolarHBondContact O-N 3.06Å; H36-L90 HydrophobicContact CB-CD2 3.86Å; H36-I94 VanDerWaalsContact CD2-CG1 3.48Å; H36-I94 WeakPolarHBondContact CD2-CG1 3.14Å
37	L	91.8	Very high	87.9	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-45.9	173.2	-79.5	172.9	0	0	0	111.4	V33 V34 E39 I40 I41 L86 L90 F102 I117 L121	V33-L37 HydrophobicContact CG1-CD1 4.41Å; V33-L37 PolarHBondContact O-N 3.19Å; V34-L37 WeakPolarHBondContact O-CB 3.15Å; V34-L37 PolarHBondContact O-N 3.16Å; V34-L37 VanDerWaalsContact O-N 3.13Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.13Å; L37-I40 PolarHBondContact O-N 3.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.31Å; L37-I41 PolarHBondContact O-N 3.16Å; L37-L86 HydrophobicContact CD2-CD2 3.96Å; L37-L90 HydrophobicContact CD2-CD1 3.79Å; L37-L90 HydrophobicContact CD2-CD2 4.31Å; L37-L90 HydrophobicContact CD2-CG 4.3Å; L37-L90 HydrophobicContact CG-CD1 4.27Å; L37-L90 HydrophobicContact CG-CD2 4.27Å; L37-F102 HydrophobicContact CD1-CE1 3.89Å; L37-F102 HydrophobicContact CD1-CZ 3.63Å; L37-I117 HydrophobicContact CB-CG2 4.45Å; L37-L121 HydrophobicContact CD1-CD1 4.47Å
38	E	91.5	Very high	89.4	Confident	87 Å²	87	51.9 Å²	51.9	41%	0.407	28%	0.284	S	S	.	.	H	α-helix	trans	-54.9	-49.5	176.1	-169.2	-172.8	148.8	0	0	111.1	V34 H36 I40 I41 M42 I117	V34-E38 PolarHBondContact O-N 3.47Å; H36-E38 VanDerWaalsContact C-N 3.35Å; E38-I40 VanDerWaalsContact C-N 3.35Å; E38-I40 PolarHBondContact O-N 3.27Å; E38-I41 PolarHBondContact O-N 3.37Å; E38-M42 HydrophobicContact CG-CE 3.4Å; E38-M42 PolarHBondContact O-N 3.22Å; E38-M42 WeakPolarHBondContact OE1-CE 3.4Å; E38-I117 HydrophobicContact CB-CD1 4.21Å; E38-I117 HydrophobicContact CB-CG1 3.98Å; E38-I117 HydrophobicContact CG-CD1 3.8Å; E38-I117 HydrophobicContact CG-CG1 3.79Å
39	E	92.3	Very high	90.3	Very high	100 Å²	100	51.3 Å²	51.3	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-37.7	178.3	-159.8	-163.8	115.8	0	0	112.7	G35 H36 L37 S43 R93	G35-E39 PolarHBondContact O-N 3.16Å; G35-E39 VanDerWaalsContact O-N 3.16Å; H36-E39 PolarHBondContact O-N 2.94Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.13Å; E39-S43 WeakPolarHBondContact O-CB 3.48Å; E39-S43 PolarHBondContact O-N 3.19Å; E39-S43 VanDerWaalsContact O-N 3.08Å; E39-R93 IonicContact OE1-CZ 3.52Å; E39-R93 IonicContact OE1-NH1 3.25Å; E39-R93 PolarHBondContact OE1-NH1 2.97Å; E39-R93 IonicContact OE1-NH2 2.72Å; E39-R93 PolarHBondContact OE1-NH2 2.9Å; E39-R93 IonicContact OE2-NH1 2.72Å; E39-R93 PolarHBondContact OE2-NH1 3.35Å
40	I	93.1	Very high	90.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-46.2	178.6	-68.3	159	0	0	0	110.4	H36 L37 E38 S43 F46 M85 L86 Q89 L90	H36-I40 VanDerWaalsContact O-CD1 3.31Å; H36-I40 WeakPolarHBondContact O-CD1 3.46Å; H36-I40 WeakPolarHBondContact O-CG1 3.34Å; H36-I40 PolarHBondContact O-N 3.06Å; L37-I40 PolarHBondContact O-N 3.26Å; E38-I40 VanDerWaalsContact C-N 3.35Å; E38-I40 PolarHBondContact O-N 3.27Å; I40-S43 VanDerWaalsContact O-CB 3.24Å; I40-S43 WeakPolarHBondContact O-CB 3.32Å; I40-S43 PolarHBondContact O-N 3.39Å; I40-S43 VanDerWaalsContact O-N 3.11Å; I40-S43 PolarHBondContact O-OG 2.64Å; I40-F46 VanDerWaalsContact O-CB 3.27Å; I40-F46 WeakPolarHBondContact O-CB 3.39Å; I40-M85 HydrophobicContact CG2-CE 4.46Å; I40-L86 HydrophobicContact CB-CD2 4.44Å; I40-L86 HydrophobicContact CG2-CD2 3.72Å; I40-Q89 HydrophobicContact CD1-CB 3.5Å; I40-Q89 VanDerWaalsContact CD1-CB 3.5Å; I40-Q89 HydrophobicContact CG1-CB 3.76Å; I40-Q89 HydrophobicContact CG1-CG 4.47Å; I40-Q89 HydrophobicContact CG2-CB 4.18Å; I40-Q89 HydrophobicContact CG2-CG 4.25Å; I40-L90 HydrophobicContact CD1-CD2 3.78Å; I40-L90 HydrophobicContact CD1-CG 3.91Å
41	I	90.5	Very high	91	Very high	8 Å²	8	49 Å²	49	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-39.2	-177.3	-67.2	169.7	0	0	0	111.1	L37 E38 S43 F46 L86 I117 M120 L121	L37-I41 WeakPolarHBondContact O-CG1 3.31Å; L37-I41 PolarHBondContact O-N 3.16Å; E38-I41 PolarHBondContact O-N 3.37Å; I41-S43 PolarHBondContact O-N 3.25Å; I41-F46 HydrophobicContact CG1-CE2 4.47Å; I41-L86 HydrophobicContact CG1-CD2 4.4Å; I41-I117 HydrophobicContact CD1-CD1 4.46Å; I41-I117 HydrophobicContact CD1-CG2 3.89Å; I41-M120 HydrophobicContact CG2-CG 4.46Å; I41-M120 HydrophobicContact CG2-SD 3.26Å; I41-M120 WeakPolarHBondContact CG2-SD 3.15Å; I41-L121 HydrophobicContact CD1-CD2 3.83Å; I41-L121 HydrophobicContact CD1-CG 3.94Å
42	M	89.3	Confident	91.4	Very high	105 Å²	105	51.4 Å²	51.4	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-73.1	-11.6	174.1	-73.1	-162.2	-94.7	0	0	113.8	E38 Q47	E38-M42 HydrophobicContact CG-CE 3.4Å; E38-M42 PolarHBondContact O-N 3.22Å; E38-M42 WeakPolarHBondContact OE1-CE 3.4Å; M42-Q47 PolarHBondContact O-NE2 3.12Å
43	S	91.7	Very high	91.7	Very high	24 Å²	24	48.5 Å²	48.5	17%	0.168	26%	0.257	C	S	.	.	S	Bend	trans	-67.6	144.7	-176.6	78.1	0	0	0	0	112.4	E39 I40 I41 H45 F46 Q47	E39-S43 WeakPolarHBondContact O-CB 3.48Å; E39-S43 PolarHBondContact O-N 3.19Å; E39-S43 VanDerWaalsContact O-N 3.08Å; I40-S43 VanDerWaalsContact O-CB 3.24Å; I40-S43 WeakPolarHBondContact O-CB 3.32Å; I40-S43 PolarHBondContact O-N 3.39Å; I40-S43 VanDerWaalsContact O-N 3.11Å; I40-S43 PolarHBondContact O-OG 2.64Å; I41-S43 PolarHBondContact O-N 3.25Å; S43-H45 PolarHBondContact O-N 3.16Å; S43-H45 VanDerWaalsContact O-N 3.13Å; S43-F46 PolarHBondContact O-N 3.44Å; S43-F46 PolarHBondContact OG-N 2.9Å; S43-Q47 PolarHBondContact O-N 2.97Å
44	N	91.2	Very high	91.9	Very high	86 Å²	86	48.4 Å²	48.4	46%	0.46	26%	0.255	S	S	.	.	H	α-helix	trans	-59.3	-24.7	171.2	-70.9	-37.6	0	0	0	112.4	S48 N158	N44-S48 WeakPolarHBondContact O-CB 3.26Å; N44-S48 PolarHBondContact O-N 3.19Å; N44-S48 PolarHBondContact O-OG 3.11Å; N44-N158 PolarHBondContact ND2-OD1 3.11Å; N44-N158 PolarHBondContact OD1-ND2 2.87Å; N44-N158 PolarHBondContact OD1-OD1 3.04Å; N44-N158 VanDerWaalsContact OD1-OD1 3.12Å
45	H	90.6	Very high	92.1	Very high	94 Å²	94	50.5 Å²	50.5	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-45.7	177.6	-176.6	58.9	0	0	0	111.6	S43 S48 I49	S43-H45 PolarHBondContact O-N 3.16Å; S43-H45 VanDerWaalsContact O-N 3.13Å; H45-S48 PolarHBondContact O-N 3.14Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.32Å; H45-I49 PolarHBondContact O-N 3.02Å
46	F	91.5	Very high	92.3	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.035	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-51.5	174.4	-178.5	-78.4	0	0	0	110.9	I40 I41 S43 S48 I49 Q50 V82 M85 F124	I40-F46 VanDerWaalsContact O-CB 3.27Å; I40-F46 WeakPolarHBondContact O-CB 3.39Å; I41-F46 HydrophobicContact CG1-CE2 4.47Å; S43-F46 PolarHBondContact O-N 3.44Å; S43-F46 PolarHBondContact OG-N 2.9Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 2.72Å; F46-I49 PolarHBondContact O-N 3.08Å; F46-I49 VanDerWaalsContact O-N 3.16Å; F46-Q50 HydrophobicContact CE1-CB 4.37Å; F46-Q50 WeakPolarHBondContact O-CB 3.5Å; F46-Q50 PolarHBondContact O-N 3.28Å; F46-V82 HydrophobicContact CE2-CG1 4.24Å; F46-M85 HydrophobicContact CB-SD 4.27Å; F46-M85 HydrophobicContact CD2-CE 3.13Å; F46-M85 HydrophobicContact CD2-SD 3.68Å; F46-M85 HydrophobicContact CE2-CE 3.39Å; F46-M85 HydrophobicContact CE2-SD 4.34Å; F46-M85 HydrophobicContact CG-CE 4.24Å; F46-M85 HydrophobicContact CG-SD 4.28Å; F46-F124 HydrophobicContact CE1-CE1 4.36Å; F46-F124 AromaticContact CE1-CZ 3.91Å; F46-F124 HydrophobicContact CE1-CZ 3.91Å; F46-F124 HydrophobicContact CE2-CE2 4.2Å; F46-F124 HydrophobicContact CE2-CZ 4.29Å; F46-F124 HydrophobicContact CZ-CD2 4.5Å; F46-F124 AromaticContact CZ-CE1 3.97Å; F46-F124 HydrophobicContact CZ-CE1 3.97Å; F46-F124 AromaticContact CZ-CE2 3.68Å; F46-F124 HydrophobicContact CZ-CE2 3.68Å; F46-F124 AromaticContact CZ-CZ 3.37Å; F46-F124 HydrophobicContact CZ-CZ 3.37Å
47	Q	91.5	Very high	92.4	Very high	51 Å²	51	53 Å²	53	24%	0.238	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-38.4	179.5	-68.7	168.3	40.9	0	0	111.8	M42 S43 Q50 D51	M42-Q47 PolarHBondContact O-NE2 3.12Å; S43-Q47 PolarHBondContact O-N 2.97Å; Q47-Q50 PolarHBondContact O-N 3.43Å; Q47-D51 VanDerWaalsContact O-CB 3.31Å; Q47-D51 WeakPolarHBondContact O-CB 3.42Å; Q47-D51 PolarHBondContact O-N 3.38Å
48	S	93.1	Very high	92.3	Very high	72 Å²	72	55.2 Å²	55.2	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-66.1	-41.5	177.8	-58.4	0	0	0	0	112.3	N44 H45 F46 Q52	N44-S48 WeakPolarHBondContact O-CB 3.26Å; N44-S48 PolarHBondContact O-N 3.19Å; N44-S48 PolarHBondContact O-OG 3.11Å; H45-S48 PolarHBondContact O-N 3.14Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 2.72Å; S48-Q52 VanDerWaalsContact O-CB 3.3Å; S48-Q52 WeakPolarHBondContact O-CB 3.41Å; S48-Q52 PolarHBondContact O-N 2.86Å
49	I	93.6	Very high	92.3	Very high	41 Å²	41	56 Å²	56	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-43.3	176.6	-71.1	171.4	0	0	0	110.3	H45 F46 Q52 F53 T81 M85	H45-I49 WeakPolarHBondContact NE2-CD1 3.32Å; H45-I49 PolarHBondContact O-N 3.02Å; F46-I49 PolarHBondContact O-N 3.08Å; F46-I49 VanDerWaalsContact O-N 3.16Å; I49-Q52 PolarHBondContact O-N 2.84Å; I49-F53 WeakPolarHBondContact O-CB 3.25Å; I49-F53 PolarHBondContact O-N 3.11Å; I49-T81 HydrophobicContact CG2-CG2 3.73Å; I49-M85 HydrophobicContact CD1-CB 4.34Å; I49-M85 HydrophobicContact CD1-CG 3.74Å; I49-M85 HydrophobicContact CD1-SD 3.74Å
50	Q	92.2	Very high	92.2	Very high	22 Å²	22	55.4 Å²	55.4	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-50.9	176.9	-173.5	-177.2	45.6	0	0	110.8	F46 Q47 Q52 F53 M54 Y78	F46-Q50 HydrophobicContact CE1-CB 4.37Å; F46-Q50 WeakPolarHBondContact O-CB 3.5Å; F46-Q50 PolarHBondContact O-N 3.28Å; Q47-Q50 PolarHBondContact O-N 3.43Å; Q50-Q52 VanDerWaalsContact C-N 3.33Å; Q50-Q52 PolarHBondContact O-N 3.13Å; Q50-F53 PolarHBondContact O-N 3.36Å; Q50-M54 HydrophobicContact CG-CG 4.39Å; Q50-M54 HydrophobicContact CG-SD 3.89Å; Q50-M54 WeakPolarHBondContact O-CB 3.47Å; Q50-M54 WeakPolarHBondContact O-CG 3.36Å; Q50-M54 PolarHBondContact O-N 2.86Å; Q50-Y78 HydrophobicContact CG-CE2 4.33Å; Q50-Y78 PolarHBondContact NE2-OH 3.36Å; Q50-Y78 VanDerWaalsContact NE2-OH 3.12Å
51	D	92	Very high	92.1	Very high	77 Å²	77	55.3 Å²	55.3	41%	0.412	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-45.1	177.4	-178.1	71.6	0	0	0	111.5	Q47 F53 M54 N55 Y137	Q47-D51 VanDerWaalsContact O-CB 3.31Å; Q47-D51 WeakPolarHBondContact O-CB 3.42Å; Q47-D51 PolarHBondContact O-N 3.38Å; D51-F53 PolarHBondContact O-N 2.84Å; D51-M54 PolarHBondContact O-N 2.82Å; D51-N55 WeakPolarHBondContact O-CB 3.46Å; D51-N55 PolarHBondContact O-N 3.19Å; D51-Y137 PolarHBondContact O-OH 3.06Å; D51-Y137 VanDerWaalsContact OD1-CE2 3.22Å; D51-Y137 WeakPolarHBondContact OD1-CE2 3.36Å; D51-Y137 VanDerWaalsContact OD1-CZ 3.3Å; D51-Y137 PolarHBondContact OD1-OH 3.29Å
52	Q	94.3	Very high	92.1	Very high	113 Å²	113	56.6 Å²	56.6	53%	0.528	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-49.1	176.4	-178.2	-176.4	-15.3	0	0	111.2	S48 I49 Q50 M54 N55 E56	S48-Q52 VanDerWaalsContact O-CB 3.3Å; S48-Q52 WeakPolarHBondContact O-CB 3.41Å; S48-Q52 PolarHBondContact O-N 2.86Å; I49-Q52 PolarHBondContact O-N 2.84Å; Q50-Q52 VanDerWaalsContact C-N 3.33Å; Q50-Q52 PolarHBondContact O-N 3.13Å; Q52-M54 VanDerWaalsContact C-N 3.33Å; Q52-M54 PolarHBondContact O-N 2.76Å; Q52-N55 PolarHBondContact O-N 3.08Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.5Å; Q52-E56 PolarHBondContact NE2-OE1 3.07Å; Q52-E56 WeakPolarHBondContact O-CG 3.47Å; Q52-E56 PolarHBondContact O-N 3.1Å
53	F	94.6	Very high	91.8	Very high	9 Å²	9	57.8 Å²	57.8	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-45.1	179.8	-171.9	-81.1	0	0	0	111.3	I49 Q50 D51 E56 N57 I74 K77 Y78 F130 M134	I49-F53 WeakPolarHBondContact O-CB 3.25Å; I49-F53 PolarHBondContact O-N 3.11Å; Q50-F53 PolarHBondContact O-N 3.36Å; D51-F53 PolarHBondContact O-N 2.84Å; F53-E56 PolarHBondContact O-N 3.37Å; F53-N57 HydrophobicContact CE1-CB 4.48Å; F53-N57 PolarHBondContact O-N 3.04Å; F53-N57 PolarHBondContact O-ND2 3.43Å; F53-I74 HydrophobicContact CE1-CG2 3.93Å; F53-I74 HydrophobicContact CZ-CG2 4.07Å; F53-I74 WeakPolarHBondContact CZ-O 3.49Å; F53-K77 HydrophobicContact CE2-CB 4.19Å; F53-K77 HydrophobicContact CE2-CD 3.81Å; F53-K77 HydrophobicContact CE2-CG 3.83Å; F53-K77 HydrophobicContact CZ-CB 4.12Å; F53-K77 HydrophobicContact CZ-CD 4.15Å; F53-K77 HydrophobicContact CZ-CG 4.23Å; F53-Y78 AromaticContact CD1-CD2 3.57Å; F53-Y78 HydrophobicContact CD1-CD2 3.57Å; F53-Y78 HydrophobicContact CD1-CE2 4.41Å; F53-Y78 HydrophobicContact CD1-CG 4.32Å; F53-Y78 HydrophobicContact CD2-CD2 4.41Å; F53-Y78 AromaticContact CE1-CD2 3.83Å; F53-Y78 HydrophobicContact CE1-CD2 3.83Å; F53-Y78 HydrophobicContact CE1-CG 4.12Å; F53-Y78 AromaticContact CG-CD2 3.91Å; F53-Y78 HydrophobicContact CG-CD2 3.91Å; F53-Y78 HydrophobicContact CZ-CD2 4.35Å; F53-Y78 HydrophobicContact CZ-CG 4.48Å; F53-F130 HydrophobicContact CE1-CE2 4.45Å; F53-F130 HydrophobicContact CE1-CZ 4.19Å; F53-M134 HydrophobicContact CD1-CE 3.72Å; F53-M134 HydrophobicContact CE1-CE 3.64Å
54	M	94	Very high	91.5	Very high	11 Å²	11	61.2 Å²	61.2	5%	0.054	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-46.4	178.4	-67.5	-179.6	82.8	0	0	110.9	Q50 D51 Q52 E56 N57 Y58 M133 M134 Y137	Q50-M54 HydrophobicContact CG-CG 4.39Å; Q50-M54 HydrophobicContact CG-SD 3.89Å; Q50-M54 WeakPolarHBondContact O-CB 3.47Å; Q50-M54 WeakPolarHBondContact O-CG 3.36Å; Q50-M54 PolarHBondContact O-N 2.86Å; D51-M54 PolarHBondContact O-N 2.82Å; Q52-M54 VanDerWaalsContact C-N 3.33Å; Q52-M54 PolarHBondContact O-N 2.76Å; M54-E56 PolarHBondContact O-N 3.42Å; M54-N57 PolarHBondContact O-N 2.87Å; M54-Y58 VanDerWaalsContact O-CB 3.3Å; M54-Y58 WeakPolarHBondContact O-CB 3.3Å; M54-Y58 WeakPolarHBondContact O-CD1 3.25Å; M54-Y58 PolarHBondContact O-N 3.5Å; M54-M133 HydrophobicContact CE-CB 4.44Å; M54-M133 HydrophobicContact CE-CE 4.08Å; M54-M133 HydrophobicContact CE-CG 3.58Å; M54-M133 WeakPolarHBondContact CE-O 3.39Å; M54-M133 HydrophobicContact CE-SD 4.24Å; M54-M133 HydrophobicContact SD-CE 4.15Å; M54-M133 HydrophobicContact SD-CG 4.36Å; M54-M133 HydrophobicContact SD-SD 4.32Å; M54-M134 HydrophobicContact CB-SD 4.13Å; M54-M134 HydrophobicContact CE-SD 4.28Å; M54-M134 HydrophobicContact CG-CE 4.32Å; M54-M134 HydrophobicContact CG-SD 3.98Å; M54-Y137 HydrophobicContact CB-CD1 3.97Å; M54-Y137 HydrophobicContact CB-CD2 3.94Å; M54-Y137 HydrophobicContact CB-CE1 3.99Å; M54-Y137 HydrophobicContact CB-CE2 3.96Å; M54-Y137 HydrophobicContact CB-CG 3.95Å; M54-Y137 HydrophobicContact CE-CD2 3.61Å; M54-Y137 HydrophobicContact CE-CG 3.61Å; M54-Y137 HydrophobicContact SD-CD2 3.82Å; M54-Y137 HydrophobicContact SD-CE2 4.3Å; M54-Y137 HydrophobicContact SD-CG 4.31Å
55	N	93	Very high	91	Very high	71 Å²	71	66.4 Å²	66.4	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-29.7	177.5	-171.4	77.8	0	0	0	113.2	D51 Q52 Y58 Y137 K141	D51-N55 WeakPolarHBondContact O-CB 3.46Å; D51-N55 PolarHBondContact O-N 3.19Å; Q52-N55 PolarHBondContact O-N 3.08Å; N55-Y58 WeakPolarHBondContact O-CD1 3.37Å; N55-Y58 WeakPolarHBondContact O-CE1 3.26Å; N55-Y137 HydrophobicContact CB-CE1 4.27Å; N55-K141 PolarHBondContact OD1-NZ 3.27Å
56	E	94.5	Very high	90.8	Very high	108 Å²	108	69.7 Å²	69.7	51%	0.505	35%	0.345	S	S	.	.	H	α-helix	trans	-78.4	-24.8	176.4	-73.6	174.4	-167	0	0	113.7	Q52 F53 M54	Q52-E56 WeakPolarHBondContact CG-OE1 3.5Å; Q52-E56 PolarHBondContact NE2-OE1 3.07Å; Q52-E56 WeakPolarHBondContact O-CG 3.47Å; Q52-E56 PolarHBondContact O-N 3.1Å; F53-E56 PolarHBondContact O-N 3.37Å; M54-E56 PolarHBondContact O-N 3.42Å
57	N	93.6	Very high	90.6	Very high	19 Å²	19	72.8 Å²	72.8	10%	0.102	36%	0.362	C	S	.	.	H	α-helix	trans	-123.2	-10.9	-168.4	-60.2	-87.5	0	0	0	114.7	F53 M54 D59 E60 F61 I74 M134	F53-N57 HydrophobicContact CE1-CB 4.48Å; F53-N57 PolarHBondContact O-N 3.04Å; F53-N57 PolarHBondContact O-ND2 3.43Å; M54-N57 PolarHBondContact O-N 2.87Å; N57-D59 PolarHBondContact O-N 3.21Å; N57-D59 VanDerWaalsContact O-N 3.16Å; N57-E60 PolarHBondContact O-N 2.99Å; N57-F61 WeakPolarHBondContact O-CD2 3.33Å; N57-I74 HydrophobicContact CB-CG2 3.84Å; N57-M134 HydrophobicContact CB-CE 3.85Å
58	Y	91.3	Very high	90.5	Very high	53 Å²	53	73.9 Å²	73.9	21%	0.208	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-58.9	-31.8	-173.7	74.8	-84.6	0	0	0	113.6	M54 N55 E60 F61 Y137 K138 K141	M54-Y58 VanDerWaalsContact O-CB 3.3Å; M54-Y58 WeakPolarHBondContact O-CB 3.3Å; M54-Y58 WeakPolarHBondContact O-CD1 3.25Å; M54-Y58 PolarHBondContact O-N 3.5Å; N55-Y58 WeakPolarHBondContact O-CD1 3.37Å; N55-Y58 WeakPolarHBondContact O-CE1 3.26Å; Y58-E60 PolarHBondContact O-N 3.23Å; Y58-F61 PolarHBondContact O-N 3.05Å; Y58-F61 VanDerWaalsContact O-N 3.08Å; Y58-Y137 HydrophobicContact CD1-CD1 4.38Å; Y58-Y137 HydrophobicContact CD1-CE1 4.25Å; Y58-Y137 HydrophobicContact CG-CD1 4.14Å; Y58-Y137 HydrophobicContact CG-CE1 4.46Å; Y58-K138 HydrophobicContact CD2-CB 3.74Å; Y58-K138 HydrophobicContact CD2-CD 4.34Å; Y58-K138 HydrophobicContact CD2-CG 3.77Å; Y58-K138 HydrophobicContact CE2-CG 4.34Å; Y58-K138 HydrophobicContact CG-CB 4.48Å; Y58-K138 WeakPolarHBondContact O-CD 3.47Å; Y58-K141 HydrophobicContact CE2-CB 4.45Å
59	D	90.3	Very high	90.3	Very high	103 Å²	103	79.4 Å²	79.4	55%	0.551	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-61.4	-34.4	-176.4	-161.1	-82	0	0	0	111.8	N57 F61 K138	N57-D59 PolarHBondContact O-N 3.21Å; N57-D59 VanDerWaalsContact O-N 3.16Å; D59-F61 PolarHBondContact O-N 2.83Å; D59-K138 PolarHBondContact O-NZ 2.8Å
60	E	90.9	Very high	90.2	Very high	87 Å²	87	79 Å²	79	41%	0.407	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-64	-26.4	178.6	-65.7	-61.4	133.1	0	0	112.2	N57 Y58 K68 Y71 I74	N57-E60 PolarHBondContact O-N 2.99Å; Y58-E60 PolarHBondContact O-N 3.23Å; E60-K68 WeakPolarHBondContact O-CE 3.34Å; E60-K68 PolarHBondContact O-NZ 3.37Å; E60-Y71 VanDerWaalsContact O-CE1 3.26Å; E60-Y71 WeakPolarHBondContact O-CE1 3.4Å; E60-Y71 PolarHBondContact O-OH 3Å; E60-I74 HydrophobicContact CB-CD1 3.98Å; E60-I74 HydrophobicContact CG-CD1 4.09Å
61	F	91.6	Very high	90.2	Very high	0 Å²	0	78 Å²	78	0%	0	38%	0.377	C	S	.	.			trans	-85.7	142.7	-174.2	-71.1	-96.8	0	0	0	113.3	N57 Y58 D59 Y71 I74 F130 K131 M134 I135 K138	N57-F61 WeakPolarHBondContact O-CD2 3.33Å; Y58-F61 PolarHBondContact O-N 3.05Å; Y58-F61 VanDerWaalsContact O-N 3.08Å; D59-F61 PolarHBondContact O-N 2.83Å; F61-Y71 HydrophobicContact CD1-CD1 4.01Å; F61-Y71 HydrophobicContact CD1-CD2 4.35Å; F61-Y71 AromaticContact CD1-CE1 3.88Å; F61-Y71 HydrophobicContact CD1-CE1 3.88Å; F61-Y71 HydrophobicContact CD1-CE2 4.25Å; F61-Y71 HydrophobicContact CD1-CG 4.26Å; F61-Y71 AromaticContact CE1-CD1 3.75Å; F61-Y71 HydrophobicContact CE1-CD1 3.75Å; F61-Y71 HydrophobicContact CE1-CD2 4.19Å; F61-Y71 HydrophobicContact CE1-CE1 4.11Å; F61-Y71 AromaticContact CE1-CG 3.81Å; F61-Y71 HydrophobicContact CE1-CG 3.81Å; F61-Y71 HydrophobicContact CE2-CD1 4.49Å; F61-Y71 HydrophobicContact CG-CD1 4.5Å; F61-Y71 HydrophobicContact CG-CE1 4.12Å; F61-Y71 AromaticContact CZ-CD1 3.99Å; F61-Y71 HydrophobicContact CZ-CD1 3.99Å; F61-Y71 HydrophobicContact CZ-CG 4.32Å; F61-I74 HydrophobicContact CE2-CB 4.48Å; F61-I74 HydrophobicContact CE2-CD1 4.04Å; F61-I74 HydrophobicContact CE2-CG2 3.93Å; F61-I74 HydrophobicContact CZ-CB 4.36Å; F61-I74 HydrophobicContact CZ-CD1 4.45Å; F61-I74 HydrophobicContact CZ-CG2 4.06Å; F61-F130 HydrophobicContact CE1-CE1 4.19Å; F61-F130 HydrophobicContact CZ-CD1 4.49Å; F61-F130 AromaticContact CZ-CE1 3.69Å; F61-F130 HydrophobicContact CZ-CE1 3.69Å; F61-F130 HydrophobicContact CZ-CZ 4.36Å; F61-K131 HydrophobicContact CD1-CG 4.14Å; F61-K131 HydrophobicContact CE1-CG 4.48Å; F61-M134 HydrophobicContact CB-CB 4.07Å; F61-M134 HydrophobicContact CD1-CB 3.91Å; F61-M134 HydrophobicContact CD1-CG 4.41Å; F61-M134 HydrophobicContact CD2-CB 3.76Å; F61-M134 HydrophobicContact CD2-CG 3.9Å; F61-M134 HydrophobicContact CD2-SD 4.35Å; F61-M134 HydrophobicContact CE1-CB 4.32Å; F61-M134 HydrophobicContact CE1-CG 4.35Å; F61-M134 HydrophobicContact CE2-CB 4.19Å; F61-M134 HydrophobicContact CE2-CE 4.19Å; F61-M134 HydrophobicContact CE2-CG 3.85Å; F61-M134 HydrophobicContact CE2-SD 4.33Å; F61-M134 HydrophobicContact CG-CB 3.62Å; F61-M134 HydrophobicContact CG-CG 4.2Å; F61-M134 HydrophobicContact CZ-CB 4.47Å; F61-M134 HydrophobicContact CZ-CG 4.09Å; F61-I135 HydrophobicContact CB-CG1 4.21Å; F61-K138 VanDerWaalsContact O-CD 3.26Å; F61-K138 WeakPolarHBondContact O-CD 3.37Å; F61-K138 PolarHBondContact O-NZ 3.44Å
62	D	88.4	Confident	90.1	Very high	35 Å²	35	78 Å²	78	19%	0.187	38%	0.38	C	S	.	.			trans	-143.1	163.7	174.2	55.9	49.5	0	0	0	112.3	N64 K68 Y71 I135	D62-N64 PolarHBondContact O-N 3.18Å; D62-N64 VanDerWaalsContact OD1-CB 3.32Å; D62-N64 WeakPolarHBondContact OD1-CB 3.25Å; D62-N64 PolarHBondContact OD1-N 3.31Å; D62-N64 PolarHBondContact OD1-ND2 3.38Å; D62-N64 PolarHBondContact OD2-ND2 3.1Å; D62-K68 WeakPolarHBondContact OD2-CE 3.31Å; D62-K68 IonicContact OD2-NZ 2.79Å; D62-K68 PolarHBondContact OD2-NZ 2.98Å; D62-Y71 VanDerWaalsContact CG-OH 3.29Å; D62-Y71 PolarHBondContact N-OH 3.06Å; D62-Y71 PolarHBondContact OD1-OH 3.42Å; D62-Y71 VanDerWaalsContact OD1-OH 3.11Å; D62-I135 WeakPolarHBondContact O-CD1 3.38Å
63	E	84.7	Confident	90.1	Very high	130 Å²	130	79 Å²	79	61%	0.607	39%	0.385	S	S	*	.	S	Bend	trans	-77.9	10.9	-176.8	-67.2	-179.5	86.9	0	0	113.5	I135 K139	E63-I135 HydrophobicContact CG-CD1 4.36Å; E63-I135 HydrophobicContact CG-CG2 3.61Å; E63-K139 VanDerWaalsContact OE1-CE 3.25Å; E63-K139 WeakPolarHBondContact OE1-CE 3.41Å; E63-K139 IonicContact OE1-NZ 3.11Å; E63-K139 PolarHBondContact OE1-NZ 3.37Å; E63-K139 WeakPolarHBondContact OE2-CE 3.34Å; E63-K139 IonicContact OE2-NZ 2.64Å
64	N	85.6	Confident	90.2	Very high	96 Å²	96	79.2 Å²	79.2	51%	0.513	39%	0.387	S	S	.	.			trans	-70.9	146.7	179.3	-60.9	-48.7	0	0	0	110.6	D62 E66 K131	D62-N64 PolarHBondContact O-N 3.18Å; D62-N64 VanDerWaalsContact OD1-CB 3.32Å; D62-N64 WeakPolarHBondContact OD1-CB 3.25Å; D62-N64 PolarHBondContact OD1-N 3.31Å; D62-N64 PolarHBondContact OD1-ND2 3.38Å; D62-N64 PolarHBondContact OD2-ND2 3.1Å; N64-E66 PolarHBondContact O-N 3.33Å; N64-K131 PolarHBondContact O-NZ 3.44Å
65	E	80.7	Confident	90.2	Very high	194 Å²	194	79.4 Å²	79.4	91%	0.907	39%	0.387	S	S	*	.	S	Bend	trans	-64.4	-33.4	172.3	-67.4	-174.2	125.6	0	0	111.3
66	E	86	Confident	90.3	Very high	163 Å²	163	81.4 Å²	81.4	76%	0.762	39%	0.394	S	S	*	.	S	Bend	trans	-76.7	124	175.8	-169.4	176.7	177.6	0	0	111	N64	N64-E66 PolarHBondContact O-N 3.33Å
67	N	86.4	Confident	90.3	Very high	74 Å²	74	81 Å²	81	40%	0.396	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-83.1	136.1	177.1	-66.9	-32.4	0	0	0	110.8	Y71 F127 K131	N67-Y71 HydrophobicContact CB-CD2 3.75Å; N67-Y71 HydrophobicContact CB-CE2 4.28Å; N67-F127 WeakPolarHBondContact ND2-CE1 3.39Å; N67-K131 PolarHBondContact OD1-NZ 3.25Å
68	K	89.2	Confident	90.4	Very high	73 Å²	73	80.3 Å²	80.3	32%	0.317	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-68.9	146.5	169.3	-59.8	179	-173.9	160.3	0	109.4	E60 D62 C70 Y71	E60-K68 WeakPolarHBondContact O-CE 3.34Å; E60-K68 PolarHBondContact O-NZ 3.37Å; D62-K68 WeakPolarHBondContact OD2-CE 3.31Å; D62-K68 IonicContact OD2-NZ 2.79Å; D62-K68 PolarHBondContact OD2-NZ 2.98Å; K68-C70 VanDerWaalsContact CB-SG 3.56Å; K68-C70 PolarHBondContact O-N 2.91Å; K68-Y71 HydrophobicContact CB-CD1 3.78Å; K68-Y71 HydrophobicContact CB-CD2 4.48Å; K68-Y71 HydrophobicContact CB-CE1 3.65Å; K68-Y71 HydrophobicContact CB-CE2 4.36Å; K68-Y71 HydrophobicContact CB-CG 4.19Å; K68-Y71 HydrophobicContact CD-CE1 3.67Å; K68-Y71 HydrophobicContact CG-CD1 4.41Å; K68-Y71 HydrophobicContact CG-CE1 3.78Å; K68-Y71 HydrophobicContact CG-CE2 4.39Å; K68-Y71 WeakPolarHBondContact O-CB 3.27Å; K68-Y71 PolarHBondContact O-N 2.93Å
69	F	89	Confident	90.5	Very high	189 Å²	189	79.5 Å²	79.5	83%	0.829	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-33	176.2	-66.8	-68.4	0	0	0	112.8	Y71	F69-Y71 PolarHBondContact O-N 3.46Å
70	C	91.8	Very high	90.7	Very high	33 Å²	33	78.9 Å²	78.9	22%	0.223	38%	0.382	C	S	.	.	H	α-helix	trans	-67.9	-17.4	177.7	59.6	0	0	0	0	113.7	K68 T72 E73 I74	K68-C70 VanDerWaalsContact CB-SG 3.56Å; K68-C70 PolarHBondContact O-N 2.91Å; C70-T72 VanDerWaalsContact C-N 3.32Å; C70-T72 PolarHBondContact O-N 3.42Å; C70-E73 PolarHBondContact O-N 3.34Å; C70-I74 HydrophobicContact CB-CD1 4.41Å; C70-I74 VanDerWaalsContact O-CG1 3.25Å; C70-I74 WeakPolarHBondContact O-CG1 3.24Å; C70-I74 PolarHBondContact O-N 3.43Å
71	Y	92.1	Very high	90.9	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-40.5	-178.2	-68.4	-5.6	0	0	0	111.9	E60 F61 D62 N67 K68 F69 I74 H75 F127	E60-Y71 VanDerWaalsContact O-CE1 3.26Å; E60-Y71 WeakPolarHBondContact O-CE1 3.4Å; E60-Y71 PolarHBondContact O-OH 3Å; F61-Y71 HydrophobicContact CD1-CD1 4.01Å; F61-Y71 HydrophobicContact CD1-CD2 4.35Å; F61-Y71 AromaticContact CD1-CE1 3.88Å; F61-Y71 HydrophobicContact CD1-CE1 3.88Å; F61-Y71 HydrophobicContact CD1-CE2 4.25Å; F61-Y71 HydrophobicContact CD1-CG 4.26Å; F61-Y71 AromaticContact CE1-CD1 3.75Å; F61-Y71 HydrophobicContact CE1-CD1 3.75Å; F61-Y71 HydrophobicContact CE1-CD2 4.19Å; F61-Y71 HydrophobicContact CE1-CE1 4.11Å; F61-Y71 AromaticContact CE1-CG 3.81Å; F61-Y71 HydrophobicContact CE1-CG 3.81Å; F61-Y71 HydrophobicContact CE2-CD1 4.49Å; F61-Y71 HydrophobicContact CG-CD1 4.5Å; F61-Y71 HydrophobicContact CG-CE1 4.12Å; F61-Y71 AromaticContact CZ-CD1 3.99Å; F61-Y71 HydrophobicContact CZ-CD1 3.99Å; F61-Y71 HydrophobicContact CZ-CG 4.32Å; D62-Y71 VanDerWaalsContact CG-OH 3.29Å; D62-Y71 PolarHBondContact N-OH 3.06Å; D62-Y71 PolarHBondContact OD1-OH 3.42Å; D62-Y71 VanDerWaalsContact OD1-OH 3.11Å; N67-Y71 HydrophobicContact CB-CD2 3.75Å; N67-Y71 HydrophobicContact CB-CE2 4.28Å; K68-Y71 HydrophobicContact CB-CD1 3.78Å; K68-Y71 HydrophobicContact CB-CD2 4.48Å; K68-Y71 HydrophobicContact CB-CE1 3.65Å; K68-Y71 HydrophobicContact CB-CE2 4.36Å; K68-Y71 HydrophobicContact CB-CG 4.19Å; K68-Y71 HydrophobicContact CD-CE1 3.67Å; K68-Y71 HydrophobicContact CG-CD1 4.41Å; K68-Y71 HydrophobicContact CG-CE1 3.78Å; K68-Y71 HydrophobicContact CG-CE2 4.39Å; K68-Y71 WeakPolarHBondContact O-CB 3.27Å; K68-Y71 PolarHBondContact O-N 2.93Å; F69-Y71 PolarHBondContact O-N 3.46Å; Y71-I74 PolarHBondContact O-N 3.42Å; Y71-H75 WeakPolarHBondContact O-CB 3.39Å; Y71-H75 PolarHBondContact O-N 2.63Å; Y71-F127 HydrophobicContact CD2-CZ 4.1Å; Y71-F127 HydrophobicContact CG-CZ 4.36Å
72	T	90.8	Very high	91	Very high	77 Å²	77	76.2 Å²	76.2	47%	0.472	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-46	177.4	-52.9	0	0	0	0	110.9	C70 I74 H75 E76	C70-T72 VanDerWaalsContact C-N 3.32Å; C70-T72 PolarHBondContact O-N 3.42Å; T72-I74 VanDerWaalsContact C-N 3.31Å; T72-I74 PolarHBondContact O-N 3.31Å; T72-H75 PolarHBondContact O-N 3.21Å; T72-E76 WeakPolarHBondContact O-CG 3.47Å; T72-E76 PolarHBondContact O-N 3.17Å
73	E	94	Very high	91.2	Very high	133 Å²	133	79.8 Å²	79.8	62%	0.621	39%	0.388	S	S	*	.	H	α-helix	trans	-62.3	-39.3	179.1	-63.1	178.2	99.1	0	0	111.7	C70 K77	C70-E73 PolarHBondContact O-N 3.34Å; E73-K77 WeakPolarHBondContact O-CB 3.35Å; E73-K77 PolarHBondContact O-N 3.13Å
74	I	95.5	Very high	91.6	Very high	15 Å²	15	79.6 Å²	79.6	8%	0.077	38%	0.382	C	S	.	.	H	α-helix	trans	-68.3	-42.2	176.2	-65.5	165.6	0	0	0	110.7	F53 N57 E60 F61 C70 Y71 T72 K77 Y78 F130 M134	F53-I74 HydrophobicContact CE1-CG2 3.93Å; F53-I74 HydrophobicContact CZ-CG2 4.07Å; F53-I74 WeakPolarHBondContact CZ-O 3.49Å; N57-I74 HydrophobicContact CB-CG2 3.84Å; E60-I74 HydrophobicContact CB-CD1 3.98Å; E60-I74 HydrophobicContact CG-CD1 4.09Å; F61-I74 HydrophobicContact CE2-CB 4.48Å; F61-I74 HydrophobicContact CE2-CD1 4.04Å; F61-I74 HydrophobicContact CE2-CG2 3.93Å; F61-I74 HydrophobicContact CZ-CB 4.36Å; F61-I74 HydrophobicContact CZ-CD1 4.45Å; F61-I74 HydrophobicContact CZ-CG2 4.06Å; C70-I74 HydrophobicContact CB-CD1 4.41Å; C70-I74 VanDerWaalsContact O-CG1 3.25Å; C70-I74 WeakPolarHBondContact O-CG1 3.24Å; C70-I74 PolarHBondContact O-N 3.43Å; Y71-I74 PolarHBondContact O-N 3.42Å; T72-I74 VanDerWaalsContact C-N 3.31Å; T72-I74 PolarHBondContact O-N 3.31Å; I74-K77 WeakPolarHBondContact O-CB 3.43Å; I74-K77 PolarHBondContact O-N 3.3Å; I74-Y78 PolarHBondContact O-N 2.95Å; I74-F130 HydrophobicContact CG2-CE1 4.36Å; I74-F130 HydrophobicContact CG2-CZ 4.09Å; I74-M134 HydrophobicContact CG2-CE 4.32Å
75	H	94.7	Very high	91.9	Very high	15 Å²	15	75.4 Å²	75.4	7%	0.069	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-43.5	178.1	-176.9	-140.6	0	0	0	111.9	Y71 T72 K77 Y78 I79 F124 T125 F127 F130	Y71-H75 WeakPolarHBondContact O-CB 3.39Å; Y71-H75 PolarHBondContact O-N 2.63Å; T72-H75 PolarHBondContact O-N 3.21Å; H75-K77 VanDerWaalsContact C-N 3.3Å; H75-K77 PolarHBondContact O-N 3.11Å; H75-Y78 WeakPolarHBondContact O-CA 3.31Å; H75-Y78 WeakPolarHBondContact O-CB 3.31Å; H75-Y78 PolarHBondContact O-N 3.36Å; H75-Y78 VanDerWaalsContact O-N 3.07Å; H75-I79 WeakPolarHBondContact O-CG1 3.22Å; H75-I79 PolarHBondContact O-N 3Å; H75-F124 PolarHBondContact NE2-O 3.4Å; H75-F124 VanDerWaalsContact NE2-O 3.08Å; H75-T125 PolarHBondContact CE1-O 3.17Å; H75-T125 VanDerWaalsContact CE1-O 3.26Å; H75-F127 HydrophobicContact CB-CD2 3.95Å; H75-F127 HydrophobicContact CB-CE2 4.29Å; H75-F127 AromaticContact CG-CD2 3.91Å; H75-F127 AromaticContact ND1-CD2 3.59Å; H75-F130 HydrophobicContact CB-CD1 3.8Å; H75-F130 HydrophobicContact CB-CE1 3.72Å; H75-F130 HydrophobicContact CB-CZ 4.5Å; H75-F130 AromaticContact CD2-CD1 3.45Å; H75-F130 VanDerWaalsContact CD2-CD1 3.45Å; H75-F130 WeakPolarHBondContact CD2-CD1 3.49Å; H75-F130 AromaticContact CD2-CD2 3.91Å; H75-F130 AromaticContact CD2-CE1 3.96Å; H75-F130 AromaticContact CD2-CG 3.41Å; H75-F130 VanDerWaalsContact CD2-CG 3.41Å; H75-F130 WeakPolarHBondContact CD2-CG 3.3Å; H75-F130 AromaticContact CG-CD1 3.78Å
76	E	94.7	Very high	92.5	Very high	113 Å²	113	67.1 Å²	67.1	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-43.3	172.7	-73.4	-179.1	166.7	0	0	111.1	T72 Y78 I79 N80	T72-E76 WeakPolarHBondContact O-CG 3.47Å; T72-E76 PolarHBondContact O-N 3.17Å; E76-Y78 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 2.88Å; E76-I79 PolarHBondContact O-N 2.95Å; E76-N80 WeakPolarHBondContact O-CB 3.32Å; E76-N80 PolarHBondContact O-N 2.68Å; E76-N80 PolarHBondContact O-ND2 3.4Å
77	K	95.6	Very high	92.8	Very high	100 Å²	100	63.8 Å²	63.8	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-37	175.3	-168.9	-166.2	168.9	-172	0	111.8	F53 E73 I74 H75 T81	F53-K77 HydrophobicContact CE2-CB 4.19Å; F53-K77 HydrophobicContact CE2-CD 3.81Å; F53-K77 HydrophobicContact CE2-CG 3.83Å; F53-K77 HydrophobicContact CZ-CB 4.12Å; F53-K77 HydrophobicContact CZ-CD 4.15Å; F53-K77 HydrophobicContact CZ-CG 4.23Å; E73-K77 WeakPolarHBondContact O-CB 3.35Å; E73-K77 PolarHBondContact O-N 3.13Å; I74-K77 WeakPolarHBondContact O-CB 3.43Å; I74-K77 PolarHBondContact O-N 3.3Å; H75-K77 VanDerWaalsContact C-N 3.3Å; H75-K77 PolarHBondContact O-N 3.11Å; K77-T81 WeakPolarHBondContact O-CB 3.17Å; K77-T81 PolarHBondContact O-N 3.39Å; K77-T81 PolarHBondContact O-OG1 3.29Å
78	Y	94.5	Very high	93.2	Very high	3 Å²	3	65 Å²	65	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-51.6	176.1	179.8	-112	0	0	0	111.3	Q50 F53 I74 H75 E76 N80 T81 V82 F124 F130 M133	Q50-Y78 HydrophobicContact CG-CE2 4.33Å; Q50-Y78 PolarHBondContact NE2-OH 3.36Å; Q50-Y78 VanDerWaalsContact NE2-OH 3.12Å; F53-Y78 AromaticContact CD1-CD2 3.57Å; F53-Y78 HydrophobicContact CD1-CD2 3.57Å; F53-Y78 HydrophobicContact CD1-CE2 4.41Å; F53-Y78 HydrophobicContact CD1-CG 4.32Å; F53-Y78 HydrophobicContact CD2-CD2 4.41Å; F53-Y78 AromaticContact CE1-CD2 3.83Å; F53-Y78 HydrophobicContact CE1-CD2 3.83Å; F53-Y78 HydrophobicContact CE1-CG 4.12Å; F53-Y78 AromaticContact CG-CD2 3.91Å; F53-Y78 HydrophobicContact CG-CD2 3.91Å; F53-Y78 HydrophobicContact CZ-CD2 4.35Å; F53-Y78 HydrophobicContact CZ-CG 4.48Å; I74-Y78 PolarHBondContact O-N 2.95Å; H75-Y78 WeakPolarHBondContact O-CA 3.31Å; H75-Y78 WeakPolarHBondContact O-CB 3.31Å; H75-Y78 PolarHBondContact O-N 3.36Å; H75-Y78 VanDerWaalsContact O-N 3.07Å; E76-Y78 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 2.88Å; Y78-N80 VanDerWaalsContact C-N 3.34Å; Y78-N80 PolarHBondContact O-N 3.48Å; Y78-T81 WeakPolarHBondContact O-CA 3.32Å; Y78-T81 WeakPolarHBondContact O-CB 3.4Å; Y78-T81 PolarHBondContact O-N 3.05Å; Y78-V82 HydrophobicContact CD1-CG2 4.41Å; Y78-V82 HydrophobicContact CD2-CG2 4.33Å; Y78-V82 HydrophobicContact CE1-CG2 3.98Å; Y78-V82 HydrophobicContact CE2-CG2 3.87Å; Y78-V82 PolarHBondContact O-N 3.45Å; Y78-F124 HydrophobicContact CE1-CB 4.1Å; Y78-F124 HydrophobicContact CE1-CD1 4.15Å; Y78-F124 HydrophobicContact CE1-CG 4.42Å; Y78-F124 WeakPolarHBondContact OH-CD1 3.49Å; Y78-F130 AromaticContact CD1-CD2 3.48Å; Y78-F130 HydrophobicContact CD1-CD2 3.48Å; Y78-F130 VanDerWaalsContact CD1-CD2 3.48Å; Y78-F130 AromaticContact CD1-CE2 3.43Å; Y78-F130 HydrophobicContact CD1-CE2 3.43Å; Y78-F130 VanDerWaalsContact CD1-CE2 3.43Å; Y78-F130 HydrophobicContact CD1-CZ 4.45Å; Y78-F130 AromaticContact CD2-CE2 3.96Å; Y78-F130 HydrophobicContact CD2-CE2 3.96Å; Y78-F130 AromaticContact CE1-CD2 3.84Å; Y78-F130 HydrophobicContact CE1-CD2 3.84Å; Y78-F130 HydrophobicContact CE1-CE2 4.04Å; Y78-F130 AromaticContact CG-CD2 3.95Å; Y78-F130 HydrophobicContact CG-CD2 3.95Å; Y78-F130 AromaticContact CG-CE2 3.36Å; Y78-F130 HydrophobicContact CG-CE2 3.36Å; Y78-F130 HydrophobicContact CG-CZ 4.15Å; Y78-M133 HydrophobicContact CE1-CE 4.36Å
79	I	93.7	Very high	93.4	Very high	37 Å²	37	62.9 Å²	62.9	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-54.5	-51.5	177.1	-67.6	168.2	0	0	0	109.9	H75 E76 T81 V82 E83	H75-I79 WeakPolarHBondContact O-CG1 3.22Å; H75-I79 PolarHBondContact O-N 3Å; E76-I79 PolarHBondContact O-N 2.95Å; I79-T81 PolarHBondContact O-N 3.16Å; I79-V82 PolarHBondContact O-N 3.04Å; I79-V82 VanDerWaalsContact O-N 3.14Å; I79-E83 HydrophobicContact CG2-CG 4.05Å; I79-E83 WeakPolarHBondContact O-CB 3.44Å; I79-E83 WeakPolarHBondContact O-CG 3.24Å; I79-E83 PolarHBondContact O-N 3Å
80	N	95.1	Very high	93.6	Very high	89 Å²	89	54 Å²	54	48%	0.476	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-31.6	177.7	-79.1	-70	0	0	0	113.1	E76 Y78 R84	E76-N80 WeakPolarHBondContact O-CB 3.32Å; E76-N80 PolarHBondContact O-N 2.68Å; E76-N80 PolarHBondContact O-ND2 3.4Å; Y78-N80 VanDerWaalsContact C-N 3.34Å; Y78-N80 PolarHBondContact O-N 3.48Å; N80-R84 VanDerWaalsContact O-CB 3.23Å; N80-R84 WeakPolarHBondContact O-CB 3.34Å; N80-R84 PolarHBondContact O-N 3.31Å; N80-R84 VanDerWaalsContact O-N 3.13Å
81	T	94.8	Very high	93.7	Very high	19 Å²	19	55.4 Å²	55.4	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-73	-44.6	178.1	-61.6	0	0	0	0	110.8	I49 K77 Y78 I79 M85	I49-T81 HydrophobicContact CG2-CG2 3.73Å; K77-T81 WeakPolarHBondContact O-CB 3.17Å; K77-T81 PolarHBondContact O-N 3.39Å; K77-T81 PolarHBondContact O-OG1 3.29Å; Y78-T81 WeakPolarHBondContact O-CA 3.32Å; Y78-T81 WeakPolarHBondContact O-CB 3.4Å; Y78-T81 PolarHBondContact O-N 3.05Å; I79-T81 PolarHBondContact O-N 3.16Å; T81-M85 WeakPolarHBondContact O-CB 3.17Å; T81-M85 PolarHBondContact O-N 3.41Å; T81-M85 VanDerWaalsContact O-N 3.15Å
82	V	93.2	Very high	93.7	Very high	13 Å²	13	62.3 Å²	62.3	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-50.2	175.3	173.4	0	0	0	0	110.6	F46 Y78 I79 R84 M85 L86 F124	F46-V82 HydrophobicContact CE2-CG1 4.24Å; Y78-V82 HydrophobicContact CD1-CG2 4.41Å; Y78-V82 HydrophobicContact CD2-CG2 4.33Å; Y78-V82 HydrophobicContact CE1-CG2 3.98Å; Y78-V82 HydrophobicContact CE2-CG2 3.87Å; Y78-V82 PolarHBondContact O-N 3.45Å; I79-V82 PolarHBondContact O-N 3.04Å; I79-V82 VanDerWaalsContact O-N 3.14Å; V82-R84 PolarHBondContact O-N 3.44Å; V82-M85 PolarHBondContact O-N 2.85Å; V82-L86 HydrophobicContact CG1-CD1 3.85Å; V82-L86 HydrophobicContact CG1-CG 4.21Å; V82-L86 WeakPolarHBondContact O-CG 3.41Å; V82-L86 PolarHBondContact O-N 2.92Å; V82-F124 HydrophobicContact CG1-CD2 4.01Å
83	E	92.6	Very high	93.7	Very high	110 Å²	110	62.3 Å²	62.3	51%	0.514	29%	0.294	S	S	.	.	H	α-helix	trans	-55.7	-50.9	179	-75.3	-175.9	161.5	0	0	112	I79 M85 L86 E87	I79-E83 HydrophobicContact CG2-CG 4.05Å; I79-E83 WeakPolarHBondContact O-CB 3.44Å; I79-E83 WeakPolarHBondContact O-CG 3.24Å; I79-E83 PolarHBondContact O-N 3Å; E83-M85 VanDerWaalsContact C-N 3.35Å; E83-M85 PolarHBondContact O-N 3.41Å; E83-L86 PolarHBondContact O-N 3.46Å; E83-E87 WeakPolarHBondContact O-CB 3.35Å; E83-E87 PolarHBondContact O-N 3.46Å
84	R	93.6	Very high	93.6	Very high	126 Å²	126	57.1 Å²	57.1	48%	0.475	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-47	179.2	179.6	177.6	64.8	-109.3	-3.5	111.5	N80 V82 E87 E88	N80-R84 VanDerWaalsContact O-CB 3.23Å; N80-R84 WeakPolarHBondContact O-CB 3.34Å; N80-R84 PolarHBondContact O-N 3.31Å; N80-R84 VanDerWaalsContact O-N 3.13Å; V82-R84 PolarHBondContact O-N 3.44Å; R84-E87 PolarHBondContact O-N 3.03Å; R84-E88 WeakPolarHBondContact CD-OE1 3.42Å; R84-E88 HydrophobicContact CG-CG 4.29Å; R84-E88 VanDerWaalsContact CG-OE1 3.24Å; R84-E88 WeakPolarHBondContact CG-OE1 3.46Å; R84-E88 WeakPolarHBondContact O-CB 3.49Å; R84-E88 VanDerWaalsContact O-CG 3.24Å; R84-E88 WeakPolarHBondContact O-CG 3.4Å; R84-E88 PolarHBondContact O-N 2.87Å
85	M	92.9	Very high	93.2	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.039	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-39.1	-178.7	168.3	-140.4	64.7	0	0	111.5	I40 F46 I49 T81 V82 E83 Q89	I40-M85 HydrophobicContact CG2-CE 4.46Å; F46-M85 HydrophobicContact CB-SD 4.27Å; F46-M85 HydrophobicContact CD2-CE 3.13Å; F46-M85 HydrophobicContact CD2-SD 3.68Å; F46-M85 HydrophobicContact CE2-CE 3.39Å; F46-M85 HydrophobicContact CE2-SD 4.34Å; F46-M85 HydrophobicContact CG-CE 4.24Å; F46-M85 HydrophobicContact CG-SD 4.28Å; I49-M85 HydrophobicContact CD1-CB 4.34Å; I49-M85 HydrophobicContact CD1-CG 3.74Å; I49-M85 HydrophobicContact CD1-SD 3.74Å; T81-M85 WeakPolarHBondContact O-CB 3.17Å; T81-M85 PolarHBondContact O-N 3.41Å; T81-M85 VanDerWaalsContact O-N 3.15Å; V82-M85 PolarHBondContact O-N 2.85Å; E83-M85 VanDerWaalsContact C-N 3.35Å; E83-M85 PolarHBondContact O-N 3.41Å; M85-Q89 HydrophobicContact CG-CG 4.44Å; M85-Q89 WeakPolarHBondContact O-CB 3.23Å; M85-Q89 WeakPolarHBondContact O-CG 3.31Å; M85-Q89 PolarHBondContact O-N 3.12Å
86	L	93.2	Very high	92.8	Very high	19 Å²	19	69.8 Å²	69.8	10%	0.099	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-47.6	174.1	-70.6	177.6	0	0	0	111.1	L37 I40 I41 V82 E83 Q89 L90 L121	L37-L86 HydrophobicContact CD2-CD2 3.96Å; I40-L86 HydrophobicContact CB-CD2 4.44Å; I40-L86 HydrophobicContact CG2-CD2 3.72Å; I41-L86 HydrophobicContact CG1-CD2 4.4Å; V82-L86 HydrophobicContact CG1-CD1 3.85Å; V82-L86 HydrophobicContact CG1-CG 4.21Å; V82-L86 WeakPolarHBondContact O-CG 3.41Å; V82-L86 PolarHBondContact O-N 2.92Å; E83-L86 PolarHBondContact O-N 3.46Å; L86-Q89 PolarHBondContact O-N 3.33Å; L86-L90 WeakPolarHBondContact O-CB 3.46Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.24Å; L86-L90 PolarHBondContact O-N 2.91Å; L86-L121 HydrophobicContact CD1-CD2 3.7Å
87	E	92	Very high	92.5	Very high	94 Å²	94	66 Å²	66	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-46.9	178.3	-176.5	174.8	-162	0	0	111.9	E83 R84 Q89 L90 C91 M99	E83-E87 WeakPolarHBondContact O-CB 3.35Å; E83-E87 PolarHBondContact O-N 3.46Å; R84-E87 PolarHBondContact O-N 3.03Å; E87-Q89 PolarHBondContact O-N 2.63Å; E87-L90 PolarHBondContact O-N 3.4Å; E87-C91 VanDerWaalsContact O-CB 3.31Å; E87-C91 WeakPolarHBondContact O-CB 3.35Å; E87-C91 PolarHBondContact O-N 3.3Å; E87-C91 PolarHBondContact O-SG 3.2Å; E87-M99 HydrophobicContact CB-CE 3.74Å; E87-M99 HydrophobicContact CG-CE 4Å
88	E	93.3	Very high	92.2	Very high	100 Å²	100	63.6 Å²	63.6	47%	0.467	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-45.1	178.8	-76.8	172.7	-179.1	0	0	111.6	R84 Q92	R84-E88 WeakPolarHBondContact CD-OE1 3.42Å; R84-E88 HydrophobicContact CG-CG 4.29Å; R84-E88 VanDerWaalsContact CG-OE1 3.24Å; R84-E88 WeakPolarHBondContact CG-OE1 3.46Å; R84-E88 WeakPolarHBondContact O-CB 3.49Å; R84-E88 VanDerWaalsContact O-CG 3.24Å; R84-E88 WeakPolarHBondContact O-CG 3.4Å; R84-E88 PolarHBondContact O-N 2.87Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.37Å; E88-Q92 PolarHBondContact O-N 2.88Å; E88-Q92 VanDerWaalsContact O-N 3.1Å; E88-Q92 PolarHBondContact O-NE2 3.43Å
89	Q	94.2	Very high	91.8	Very high	28 Å²	28	66 Å²	66	13%	0.131	33%	0.327	C	S	.	.	H	α-helix	trans	-70.3	-39.4	-179.1	-69.9	-74.9	81	0	0	112.1	I40 M85 L86 E87 Q92 R93	I40-Q89 HydrophobicContact CD1-CB 3.5Å; I40-Q89 VanDerWaalsContact CD1-CB 3.5Å; I40-Q89 HydrophobicContact CG1-CB 3.76Å; I40-Q89 HydrophobicContact CG1-CG 4.47Å; I40-Q89 HydrophobicContact CG2-CB 4.18Å; I40-Q89 HydrophobicContact CG2-CG 4.25Å; M85-Q89 HydrophobicContact CG-CG 4.44Å; M85-Q89 WeakPolarHBondContact O-CB 3.23Å; M85-Q89 WeakPolarHBondContact O-CG 3.31Å; M85-Q89 PolarHBondContact O-N 3.12Å; L86-Q89 PolarHBondContact O-N 3.33Å; E87-Q89 PolarHBondContact O-N 2.63Å; Q89-Q92 PolarHBondContact O-N 2.89Å; Q89-R93 WeakPolarHBondContact O-CB 3.46Å; Q89-R93 WeakPolarHBondContact O-CD 3.19Å; Q89-R93 VanDerWaalsContact O-CG 3.26Å; Q89-R93 WeakPolarHBondContact O-CG 3.22Å; Q89-R93 PolarHBondContact O-N 3.45Å; Q89-R93 VanDerWaalsContact O-N 3.11Å
90	L	93.9	Very high	91.5	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-43.4	175	-72.7	175.2	0	0	0	111.7	V33 H36 L37 I40 L86 E87 Q92 R93 I94 F97 M99	V33-L90 HydrophobicContact CG1-CD1 4.3Å; V33-L90 HydrophobicContact CG1-CD2 4.15Å; H36-L90 HydrophobicContact CB-CD2 3.86Å; L37-L90 HydrophobicContact CD2-CD1 3.79Å; L37-L90 HydrophobicContact CD2-CD2 4.31Å; L37-L90 HydrophobicContact CD2-CG 4.3Å; L37-L90 HydrophobicContact CG-CD1 4.27Å; L37-L90 HydrophobicContact CG-CD2 4.27Å; I40-L90 HydrophobicContact CD1-CD2 3.78Å; I40-L90 HydrophobicContact CD1-CG 3.91Å; L86-L90 WeakPolarHBondContact O-CB 3.46Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.24Å; L86-L90 PolarHBondContact O-N 2.91Å; E87-L90 PolarHBondContact O-N 3.4Å; L90-Q92 PolarHBondContact O-N 3.15Å; L90-R93 PolarHBondContact O-N 3.28Å; L90-I94 HydrophobicContact CD2-CD1 4.25Å; L90-I94 PolarHBondContact O-N 2.9Å; L90-F97 HydrophobicContact CB-CD1 3.91Å; L90-F97 HydrophobicContact CB-CE1 3.77Å; L90-F97 HydrophobicContact CB-CE2 4.39Å; L90-F97 HydrophobicContact CB-CG 4.29Å; L90-F97 HydrophobicContact CB-CZ 4.04Å; L90-F97 HydrophobicContact CD1-CE1 3.96Å; L90-F97 HydrophobicContact CD1-CE2 4.25Å; L90-F97 HydrophobicContact CD1-CZ 3.61Å; L90-F97 HydrophobicContact CG-CZ 4.42Å; L90-M99 HydrophobicContact CD1-CE 4.35Å
91	C	92.5	Very high	91.1	Very high	64 Å²	64	71.9 Å²	71.9	43%	0.432	35%	0.35	S	S	.	.	H	α-helix	trans	-60.2	-33.4	175.1	-72.6	0	0	0	0	112.8	E87	E87-C91 VanDerWaalsContact O-CB 3.31Å; E87-C91 WeakPolarHBondContact O-CB 3.35Å; E87-C91 PolarHBondContact O-N 3.3Å; E87-C91 PolarHBondContact O-SG 3.2Å
92	Q	92.8	Very high	90.8	Very high	144 Å²	144	71.8 Å²	71.8	67%	0.673	35%	0.348	S	S	*	.	H	α-helix	trans	-74.4	-33.4	177.3	-74.7	173.7	47	0	0	112.9	E88 Q89 L90	E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.37Å; E88-Q92 PolarHBondContact O-N 2.88Å; E88-Q92 VanDerWaalsContact O-N 3.1Å; E88-Q92 PolarHBondContact O-NE2 3.43Å; Q89-Q92 PolarHBondContact O-N 2.89Å; L90-Q92 PolarHBondContact O-N 3.15Å
93	R	91.7	Very high	90.5	Very high	77 Å²	77	75.2 Å²	75.2	29%	0.291	37%	0.366	S	S	.	.	H	α-helix	trans	-87.6	-33.9	-175.1	-70.1	163.3	175.2	-91.9	5.8	113	E39 Q89 L90	E39-R93 IonicContact OE1-CZ 3.52Å; E39-R93 IonicContact OE1-NH1 3.25Å; E39-R93 PolarHBondContact OE1-NH1 2.97Å; E39-R93 IonicContact OE1-NH2 2.72Å; E39-R93 PolarHBondContact OE1-NH2 2.9Å; E39-R93 IonicContact OE2-NH1 2.72Å; E39-R93 PolarHBondContact OE2-NH1 3.35Å; Q89-R93 WeakPolarHBondContact O-CB 3.46Å; Q89-R93 WeakPolarHBondContact O-CD 3.19Å; Q89-R93 VanDerWaalsContact O-CG 3.26Å; Q89-R93 WeakPolarHBondContact O-CG 3.22Å; Q89-R93 PolarHBondContact O-N 3.45Å; Q89-R93 VanDerWaalsContact O-N 3.11Å; L90-R93 PolarHBondContact O-N 3.28Å
94	I	90.4	Very high	90.2	Very high	24 Å²	24	74 Å²	74	12%	0.123	36%	0.362	C	S	.	.	S	Bend	trans	-115.1	110.4	-173.1	-55.2	173.5	0	0	0	109.4	V33 H36 L90 H96 F97	V33-I94 HydrophobicContact CB-CD1 4.24Å; V33-I94 HydrophobicContact CG1-CD1 4.48Å; V33-I94 HydrophobicContact CG2-CD1 3.62Å; H36-I94 VanDerWaalsContact CD2-CG1 3.48Å; H36-I94 WeakPolarHBondContact CD2-CG1 3.14Å; L90-I94 HydrophobicContact CD2-CD1 4.25Å; L90-I94 PolarHBondContact O-N 2.9Å; I94-H96 PolarHBondContact O-N 3.11Å; I94-F97 HydrophobicContact CB-CB 4.01Å; I94-F97 HydrophobicContact CB-CD2 4.35Å; I94-F97 HydrophobicContact CD1-CD2 4Å; I94-F97 HydrophobicContact CD1-CE2 4.45Å; I94-F97 HydrophobicContact CG2-CB 4.16Å; I94-F97 HydrophobicContact CG2-CD2 4.33Å; I94-F97 WeakPolarHBondContact O-CB 3.21Å; I94-F97 PolarHBondContact O-N 3.16Å; I94-F97 VanDerWaalsContact O-N 3.16Å
95	P	87.4	Confident	89.8	Confident	106 Å²	106	71 Å²	71	69%	0.688	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	132.6	174.8	-23.6	33.5	0	0	0	111.3	F97	P95-F97 PolarHBondContact O-N 3.29Å
96	H	86.4	Confident	89.4	Confident	191 Å²	191	72.5 Å²	72.5	88%	0.884	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	26	-179.5	-48	-70.6	0	0	0	114.5	I94 S98	I94-H96 PolarHBondContact O-N 3.11Å; H96-S98 PolarHBondContact O-N 3.21Å
97	F	89.8	Confident	88.8	Confident	32 Å²	32	76.8 Å²	76.8	14%	0.14	39%	0.391	C	S	.	.			trans	-52.1	134.9	172.3	-176.6	-109.8	0	0	0	111.3	V33 L90 I94 P95 M99 F102	V33-F97 HydrophobicContact CG1-CE2 3.95Å; V33-F97 HydrophobicContact CG2-CD2 4.37Å; V33-F97 HydrophobicContact CG2-CE2 3.96Å; L90-F97 HydrophobicContact CB-CD1 3.91Å; L90-F97 HydrophobicContact CB-CE1 3.77Å; L90-F97 HydrophobicContact CB-CE2 4.39Å; L90-F97 HydrophobicContact CB-CG 4.29Å; L90-F97 HydrophobicContact CB-CZ 4.04Å; L90-F97 HydrophobicContact CD1-CE1 3.96Å; L90-F97 HydrophobicContact CD1-CE2 4.25Å; L90-F97 HydrophobicContact CD1-CZ 3.61Å; L90-F97 HydrophobicContact CG-CZ 4.42Å; I94-F97 HydrophobicContact CB-CB 4.01Å; I94-F97 HydrophobicContact CB-CD2 4.35Å; I94-F97 HydrophobicContact CD1-CD2 4Å; I94-F97 HydrophobicContact CD1-CE2 4.45Å; I94-F97 HydrophobicContact CG2-CB 4.16Å; I94-F97 HydrophobicContact CG2-CD2 4.33Å; I94-F97 WeakPolarHBondContact O-CB 3.21Å; I94-F97 PolarHBondContact O-N 3.16Å; I94-F97 VanDerWaalsContact O-N 3.16Å; P95-F97 PolarHBondContact O-N 3.29Å; F97-M99 HydrophobicContact CE1-CB 4.05Å; F97-M99 HydrophobicContact CE1-CE 3.87Å; F97-M99 HydrophobicContact CE1-SD 4.12Å; F97-M99 HydrophobicContact CZ-CE 4.22Å; F97-M99 HydrophobicContact CZ-SD 4.05Å; F97-F102 HydrophobicContact CE2-CB 3.97Å; F97-F102 HydrophobicContact CE2-CG 4.42Å; F97-F102 HydrophobicContact CZ-CB 3.95Å; F97-F102 HydrophobicContact CZ-CD1 4.49Å; F97-F102 HydrophobicContact CZ-CG 4.37Å
98	S	87.9	Confident	88.3	Confident	51 Å²	51	76.9 Å²	76.9	36%	0.357	40%	0.402	S	S	.	.			trans	-125.9	112.2	171.6	-178.2	0	0	0	0	108.5	H96 R100 S101 F102	H96-S98 PolarHBondContact O-N 3.21Å; S98-R100 PolarHBondContact O-N 2.83Å; S98-S101 WeakPolarHBondContact CB-OG 3.45Å; S98-S101 PolarHBondContact O-N 3.43Å; S98-S101 PolarHBondContact OG-N 3.2Å; S98-F102 PolarHBondContact O-N 3.34Å
99	M	87.3	Confident	87.6	Confident	52 Å²	52	74.8 Å²	74.8	26%	0.256	39%	0.394	S	S	.	.	H	α-helix	trans	-55.1	-37.6	174.9	-172.6	60	80.6	0	0	111.1	E87 L90 F97 F102 I103	E87-M99 HydrophobicContact CB-CE 3.74Å; E87-M99 HydrophobicContact CG-CE 4Å; L90-M99 HydrophobicContact CD1-CE 4.35Å; F97-M99 HydrophobicContact CE1-CB 4.05Å; F97-M99 HydrophobicContact CE1-CE 3.87Å; F97-M99 HydrophobicContact CE1-SD 4.12Å; F97-M99 HydrophobicContact CZ-CE 4.22Å; F97-M99 HydrophobicContact CZ-SD 4.05Å; M99-F102 PolarHBondContact O-N 3.4Å; M99-F102 HydrophobicContact SD-CD1 4.15Å; M99-I103 HydrophobicContact CG-CD1 4.05Å; M99-I103 VanDerWaalsContact O-CG1 3.31Å; M99-I103 WeakPolarHBondContact O-CG1 3.37Å; M99-I103 PolarHBondContact O-N 3.09Å
100	R	87.2	Confident	86.6	Confident	187 Å²	187	76.5 Å²	76.5	71%	0.706	41%	0.409	S	S	*	.	H	α-helix	trans	-61.4	-46.6	176.2	-174	174.1	174.8	84.9	7.7	112.2	S98 F102 I103 D104	S98-R100 PolarHBondContact O-N 2.83Å; R100-F102 VanDerWaalsContact C-N 3.29Å; R100-F102 PolarHBondContact O-N 3.06Å; R100-I103 PolarHBondContact O-N 3.28Å; R100-D104 PolarHBondContact O-N 2.95Å
101	S	87.1	Confident	85.6	Confident	63 Å²	63	83.8 Å²	83.8	44%	0.441	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-37.5	175.9	-61	0	0	0	0	111.8	S98 D104 N105	S98-S101 WeakPolarHBondContact CB-OG 3.45Å; S98-S101 PolarHBondContact O-N 3.43Å; S98-S101 PolarHBondContact OG-N 3.2Å; S101-D104 PolarHBondContact O-N 3.28Å; S101-N105 PolarHBondContact O-N 3.12Å; S101-N105 PolarHBondContact O-ND2 3.15Å
102	F	87.9	Confident	84.5	Confident	17 Å²	17	84.2 Å²	84.2	8%	0.075	45%	0.451	C	S	.	.	H	α-helix	trans	-64.7	-44	175.6	179.5	-120.5	0	0	0	112.1	F30 V33 L37 F97 S98 M99 R100 D104 N105 L106	F30-F102 HydrophobicContact CD2-CD2 4.14Å; F30-F102 AromaticContact CD2-CE2 3.75Å; F30-F102 HydrophobicContact CD2-CE2 3.75Å; F30-F102 HydrophobicContact CE2-CD2 4.33Å; F30-F102 AromaticContact CE2-CE2 3.62Å; F30-F102 HydrophobicContact CE2-CE2 3.62Å; F30-F102 HydrophobicContact CE2-CZ 4.33Å; V33-F102 HydrophobicContact CB-CD2 3.88Å; V33-F102 HydrophobicContact CB-CE2 3.8Å; V33-F102 HydrophobicContact CG1-CD1 4.26Å; V33-F102 HydrophobicContact CG1-CD2 3.48Å; V33-F102 VanDerWaalsContact CG1-CD2 3.48Å; V33-F102 HydrophobicContact CG1-CE1 4.17Å; V33-F102 HydrophobicContact CG1-CE2 3.38Å; V33-F102 HydrophobicContact CG1-CG 3.92Å; V33-F102 HydrophobicContact CG1-CZ 3.75Å; V33-F102 HydrophobicContact CG2-CD2 4.19Å; L37-F102 HydrophobicContact CD1-CE1 3.89Å; L37-F102 HydrophobicContact CD1-CZ 3.63Å; F97-F102 HydrophobicContact CE2-CB 3.97Å; F97-F102 HydrophobicContact CE2-CG 4.42Å; F97-F102 HydrophobicContact CZ-CB 3.95Å; F97-F102 HydrophobicContact CZ-CD1 4.49Å; F97-F102 HydrophobicContact CZ-CG 4.37Å; S98-F102 PolarHBondContact O-N 3.34Å; M99-F102 PolarHBondContact O-N 3.4Å; M99-F102 HydrophobicContact SD-CD1 4.15Å; R100-F102 VanDerWaalsContact C-N 3.29Å; R100-F102 PolarHBondContact O-N 3.06Å; F102-D104 VanDerWaalsContact C-N 3.34Å; F102-D104 PolarHBondContact O-N 3.49Å; F102-N105 CarbonylContact O-C 3.54Å; F102-N105 WeakPolarHBondContact O-CA 2.94Å; F102-N105 WeakPolarHBondContact O-CB 3.44Å; F102-N105 PolarHBondContact O-N 3.42Å; F102-N105 VanDerWaalsContact O-N 3.1Å; F102-L106 HydrophobicContact CD1-CD1 3.96Å; F102-L106 HydrophobicContact CD1-CG 4.42Å; F102-L106 HydrophobicContact CE1-CD1 3.61Å; F102-L106 HydrophobicContact CE1-CD2 4.33Å; F102-L106 HydrophobicContact CE1-CG 4.06Å; F102-L106 HydrophobicContact CE2-CD2 4.26Å; F102-L106 HydrophobicContact CE2-CG 4.22Å; F102-L106 HydrophobicContact CZ-CD1 3.99Å; F102-L106 HydrophobicContact CZ-CD2 3.86Å; F102-L106 HydrophobicContact CZ-CG 3.95Å; F102-L106 WeakPolarHBondContact O-CG 3.3Å; F102-L106 PolarHBondContact O-N 3.43Å
103	I	86	Confident	83.6	Confident	86 Å²	86	80.4 Å²	80.4	44%	0.441	44%	0.435	S	S	.	.	H	α-helix	trans	-59.9	-43.2	174.9	-66.9	164	0	0	0	111.4	M99 R100 N105 L106 V107	M99-I103 HydrophobicContact CG-CD1 4.05Å; M99-I103 VanDerWaalsContact O-CG1 3.31Å; M99-I103 WeakPolarHBondContact O-CG1 3.37Å; M99-I103 PolarHBondContact O-N 3.09Å; R100-I103 PolarHBondContact O-N 3.28Å; I103-N105 VanDerWaalsContact C-N 3.26Å; I103-N105 PolarHBondContact O-N 3.26Å; I103-L106 WeakPolarHBondContact O-CB 3.34Å; I103-L106 PolarHBondContact O-N 3.13Å; I103-L106 VanDerWaalsContact O-N 3.13Å; I103-V107 WeakPolarHBondContact O-CG2 3.38Å; I103-V107 PolarHBondContact O-N 2.8Å
104	D	86	Confident	82.5	Confident	83 Å²	83	83.9 Å²	83.9	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-37.3	176.3	-68.8	-25.5	0	0	0	111.4	R100 S101 F102 S108	R100-D104 PolarHBondContact O-N 2.95Å; S101-D104 PolarHBondContact O-N 3.28Å; F102-D104 VanDerWaalsContact C-N 3.34Å; F102-D104 PolarHBondContact O-N 3.49Å; D104-S108 WeakPolarHBondContact O-CB 3.24Å; D104-S108 PolarHBondContact O-N 3.14Å; D104-S108 VanDerWaalsContact O-N 3.16Å; D104-S108 PolarHBondContact O-OG 3.45Å
105	N	85.5	Confident	82	Confident	65 Å²	65	84 Å²	84	35%	0.348	47%	0.466	S	S	.	.	H	α-helix	trans	-68.7	-37.5	173.1	-79.4	-77.4	0	0	0	112.4	F30 S101 F102 I103 S108 N109	F30-N105 HydrophobicContact CD2-CB 3.85Å; S101-N105 PolarHBondContact O-N 3.12Å; S101-N105 PolarHBondContact O-ND2 3.15Å; F102-N105 CarbonylContact O-C 3.54Å; F102-N105 WeakPolarHBondContact O-CA 2.94Å; F102-N105 WeakPolarHBondContact O-CB 3.44Å; F102-N105 PolarHBondContact O-N 3.42Å; F102-N105 VanDerWaalsContact O-N 3.1Å; I103-N105 VanDerWaalsContact C-N 3.26Å; I103-N105 PolarHBondContact O-N 3.26Å; N105-S108 PolarHBondContact O-N 2.93Å; N105-N109 VanDerWaalsContact O-CB 3.32Å; N105-N109 WeakPolarHBondContact O-CB 3.45Å; N105-N109 PolarHBondContact O-N 2.95Å; N105-N109 PolarHBondContact O-ND2 3.35Å
106	L	85.4	Confident	81.9	Confident	39 Å²	39	86 Å²	86	20%	0.204	47%	0.466	C	S	.	.	H	α-helix	trans	-61.1	-44.6	175.4	-75	169.9	0	0	0	111.5	F30 F102 I103 S108 N109 S110 L113 F118	F30-L106 HydrophobicContact CE2-CD2 3.59Å; F30-L106 HydrophobicContact CE2-CG 4.09Å; F30-L106 HydrophobicContact CZ-CD2 3.91Å; F102-L106 HydrophobicContact CD1-CD1 3.96Å; F102-L106 HydrophobicContact CD1-CG 4.42Å; F102-L106 HydrophobicContact CE1-CD1 3.61Å; F102-L106 HydrophobicContact CE1-CD2 4.33Å; F102-L106 HydrophobicContact CE1-CG 4.06Å; F102-L106 HydrophobicContact CE2-CD2 4.26Å; F102-L106 HydrophobicContact CE2-CG 4.22Å; F102-L106 HydrophobicContact CZ-CD1 3.99Å; F102-L106 HydrophobicContact CZ-CD2 3.86Å; F102-L106 HydrophobicContact CZ-CG 3.95Å; F102-L106 WeakPolarHBondContact O-CG 3.3Å; F102-L106 PolarHBondContact O-N 3.43Å; I103-L106 WeakPolarHBondContact O-CB 3.34Å; I103-L106 PolarHBondContact O-N 3.13Å; I103-L106 VanDerWaalsContact O-N 3.13Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 3.39Å; L106-N109 CarbonylContact O-C 3.4Å; L106-N109 PolarHBondContact O-N 2.81Å; L106-S110 WeakPolarHBondContact O-CA 3.43Å; L106-S110 PolarHBondContact O-N 3.49Å; L106-S110 VanDerWaalsContact O-N 3.11Å; L106-L113 HydrophobicContact CD2-CD2 3.45Å; L106-L113 VanDerWaalsContact CD2-CD2 3.45Å; L106-F118 HydrophobicContact CD2-CE1 3.69Å; L106-F118 HydrophobicContact CD2-CZ 4.06Å
107	V	81.2	Confident	82	Confident	109 Å²	109	77.9 Å²	77.9	66%	0.661	43%	0.429	S	S	*	.	H	α-helix	trans	-64.9	-37.9	177.9	176.4	0	0	0	0	111.1	I103	I103-V107 WeakPolarHBondContact O-CG2 3.38Å; I103-V107 PolarHBondContact O-N 2.8Å
108	S	81.7	Confident	81.9	Confident	96 Å²	96	77.9 Å²	77.9	67%	0.671	43%	0.429	S	S	*	.	H	α-helix	trans	-74	-29.8	179.6	-56	0	0	0	0	112.9	D104 N105 L106	D104-S108 WeakPolarHBondContact O-CB 3.24Å; D104-S108 PolarHBondContact O-N 3.14Å; D104-S108 VanDerWaalsContact O-N 3.16Å; D104-S108 PolarHBondContact O-OG 3.45Å; N105-S108 PolarHBondContact O-N 2.93Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 3.39Å
109	N	77.8	Confident	81.9	Confident	55 Å²	55	81.4 Å²	81.4	29%	0.294	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	34.3	-178.6	-62.6	-75	0	0	0	112.1	F30 N105 L106 N111 C112	F30-N109 HydrophobicContact CE1-CB 4.48Å; F30-N109 HydrophobicContact CZ-CB 4.46Å; N105-N109 VanDerWaalsContact O-CB 3.32Å; N105-N109 WeakPolarHBondContact O-CB 3.45Å; N105-N109 PolarHBondContact O-N 2.95Å; N105-N109 PolarHBondContact O-ND2 3.35Å; L106-N109 CarbonylContact O-C 3.4Å; L106-N109 PolarHBondContact O-N 2.81Å; N109-N111 PolarHBondContact O-N 3.18Å; N109-C112 HydrophobicContact CB-CB 4.4Å; N109-C112 WeakPolarHBondContact O-CB 3.29Å; N109-C112 PolarHBondContact O-N 2.91Å
110	S	73.3	Confident	81.9	Confident	65 Å²	65	82 Å²	82	46%	0.455	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-55.9	-27.5	-176.4	58.2	0	0	0	0	113.9	L106 C112 L113	L106-S110 WeakPolarHBondContact O-CA 3.43Å; L106-S110 PolarHBondContact O-N 3.49Å; L106-S110 VanDerWaalsContact O-N 3.11Å; S110-C112 VanDerWaalsContact C-N 3.25Å; S110-C112 PolarHBondContact O-N 3.48Å; S110-L113 WeakPolarHBondContact O-CG 3.5Å; S110-L113 PolarHBondContact O-N 2.86Å
111	N	72.1	Confident	82	Confident	153 Å²	153	74.7 Å²	74.7	82%	0.818	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-71.1	-16.1	176.3	-62.3	-20.6	0	0	0	113.8	N109	N109-N111 PolarHBondContact O-N 3.18Å
112	C	70	Confident	82.1	Confident	74 Å²	74	78.9 Å²	78.9	50%	0.5	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-93.9	3.1	178.7	-61.3	0	0	0	0	112.7	F30 N109 S110 D114	F30-C112 HydrophobicContact CE1-CB 4.33Å; N109-C112 HydrophobicContact CB-CB 4.4Å; N109-C112 WeakPolarHBondContact O-CB 3.29Å; N109-C112 PolarHBondContact O-N 2.91Å; S110-C112 VanDerWaalsContact C-N 3.25Å; S110-C112 PolarHBondContact O-N 3.48Å; C112-D114 PolarHBondContact O-N 3.39Å
113	L	72.6	Confident	82	Confident	64 Å²	64	81 Å²	81	34%	0.335	44%	0.439	S	S	.	.			trans	-77.8	10.3	178.7	-55.6	179.6	0	0	0	113.3	L106 S110 G115 F118	L106-L113 HydrophobicContact CD2-CD2 3.45Å; L106-L113 VanDerWaalsContact CD2-CD2 3.45Å; S110-L113 WeakPolarHBondContact O-CG 3.5Å; S110-L113 PolarHBondContact O-N 2.86Å; L113-G115 PolarHBondContact O-N 3.16Å; L113-F118 HydrophobicContact CB-CD2 4.29Å; L113-F118 HydrophobicContact CB-CG 4.28Å; L113-F118 HydrophobicContact CD2-CD1 3.82Å; L113-F118 HydrophobicContact CD2-CD2 4.16Å; L113-F118 HydrophobicContact CD2-CE1 3.56Å; L113-F118 HydrophobicContact CD2-CE2 3.91Å; L113-F118 HydrophobicContact CD2-CG 4.11Å; L113-F118 HydrophobicContact CD2-CZ 3.6Å; L113-F118 WeakPolarHBondContact O-CB 3.41Å
114	D	69.4	Low	82.2	Confident	149 Å²	149	77.5 Å²	77.5	80%	0.797	42%	0.421	S	S	*	.			trans	-85	43.4	-175.5	-157.8	25.6	0	0	0	112.4	C112	C112-D114 PolarHBondContact O-N 3.39Å
115	G	79.8	Confident	82.3	Confident	26 Å²	26	77.1 Å²	77.1	27%	0.268	42%	0.422	S	S	.	.	S	Bend	trans	-123	148.8	-175.4	0	0	0	0	0	113	L113 I117 F118 E119	L113-G115 PolarHBondContact O-N 3.16Å; G115-I117 PolarHBondContact O-N 2.56Å; G115-I117 VanDerWaalsContact O-N 3.07Å; G115-F118 PolarHBondContact O-N 2.82Å; G115-E119 PolarHBondContact O-N 2.76Å; G115-E119 VanDerWaalsContact O-N 3.08Å
116	E	85.8	Confident	82.6	Confident	148 Å²	148	76.5 Å²	76.5	69%	0.692	42%	0.418	S	S	*	.	H	α-helix	trans	-51.4	-35	178.3	-177.6	177.3	-174.6	0	0	112.4	F118 E119 M120	E116-F118 PolarHBondContact O-N 3.44Å; E116-E119 PolarHBondContact O-N 3.26Å; E116-M120 VanDerWaalsContact O-CB 3.3Å; E116-M120 WeakPolarHBondContact O-CB 3.45Å; E116-M120 PolarHBondContact O-N 2.86Å
117	I	87.4	Confident	82.9	Confident	21 Å²	21	77.2 Å²	77.2	11%	0.108	42%	0.42	C	S	.	.	H	α-helix	trans	-64.6	-39.6	176.3	-66.1	-52.3	0	0	0	112.7	L37 E38 I41 G115 M120 L121	L37-I117 HydrophobicContact CB-CG2 4.45Å; E38-I117 HydrophobicContact CB-CD1 4.21Å; E38-I117 HydrophobicContact CB-CG1 3.98Å; E38-I117 HydrophobicContact CG-CD1 3.8Å; E38-I117 HydrophobicContact CG-CG1 3.79Å; I41-I117 HydrophobicContact CD1-CD1 4.46Å; I41-I117 HydrophobicContact CD1-CG2 3.89Å; G115-I117 PolarHBondContact O-N 2.56Å; G115-I117 VanDerWaalsContact O-N 3.07Å; I117-M120 PolarHBondContact O-N 2.93Å; I117-L121 HydrophobicContact CG2-CD1 4.12Å; I117-L121 WeakPolarHBondContact O-CB 3.5Å; I117-L121 VanDerWaalsContact O-CG 3.22Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 2.93Å
118	F	88.5	Confident	83.4	Confident	32 Å²	32	77 Å²	77	14%	0.14	41%	0.414	C	S	.	.	H	α-helix	trans	-74.6	-36.4	177.2	-67.3	-68.7	0	0	0	111.9	F30 V34 L106 L113 G115 E116 M120 L121 Y122	F30-F118 HydrophobicContact CZ-CZ 4.04Å; V34-F118 HydrophobicContact CG1-CE2 4.43Å; V34-F118 HydrophobicContact CG2-CE2 4.35Å; V34-F118 HydrophobicContact CG2-CZ 3.83Å; L106-F118 HydrophobicContact CD2-CE1 3.69Å; L106-F118 HydrophobicContact CD2-CZ 4.06Å; L113-F118 HydrophobicContact CB-CD2 4.29Å; L113-F118 HydrophobicContact CB-CG 4.28Å; L113-F118 HydrophobicContact CD2-CD1 3.82Å; L113-F118 HydrophobicContact CD2-CD2 4.16Å; L113-F118 HydrophobicContact CD2-CE1 3.56Å; L113-F118 HydrophobicContact CD2-CE2 3.91Å; L113-F118 HydrophobicContact CD2-CG 4.11Å; L113-F118 HydrophobicContact CD2-CZ 3.6Å; L113-F118 WeakPolarHBondContact O-CB 3.41Å; G115-F118 PolarHBondContact O-N 2.82Å; E116-F118 PolarHBondContact O-N 3.44Å; F118-M120 VanDerWaalsContact C-N 3.32Å; F118-L121 HydrophobicContact CD1-CD1 4.21Å; F118-L121 PolarHBondContact O-N 2.96Å; F118-Y122 VanDerWaalsContact O-CB 3.31Å; F118-Y122 WeakPolarHBondContact O-CB 3.45Å; F118-Y122 PolarHBondContact O-N 3.45Å
119	E	87.9	Confident	83.8	Confident	125 Å²	125	74 Å²	74	58%	0.584	40%	0.395	S	S	*	.	H	α-helix	trans	-59.2	-46.1	169.9	-66.8	-174.5	-178.5	0	0	110.7	G115 E116 Y122 T123	G115-E119 PolarHBondContact O-N 2.76Å; G115-E119 VanDerWaalsContact O-N 3.08Å; E116-E119 PolarHBondContact O-N 3.26Å; E119-Y122 WeakPolarHBondContact O-CB 3.42Å; E119-Y122 PolarHBondContact O-N 3.08Å; E119-T123 VanDerWaalsContact O-CG2 3.32Å; E119-T123 WeakPolarHBondContact O-CG2 3.35Å; E119-T123 PolarHBondContact O-N 3.4Å
120	M	88.4	Confident	84.5	Confident	64 Å²	64	71.4 Å²	71.4	32%	0.315	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-46.5	177.3	-168.4	176.8	-59	0	0	111.7	I41 E116 I117 F118 Y122 T123 F124	I41-M120 HydrophobicContact CG2-CG 4.46Å; I41-M120 HydrophobicContact CG2-SD 3.26Å; I41-M120 WeakPolarHBondContact CG2-SD 3.15Å; E116-M120 VanDerWaalsContact O-CB 3.3Å; E116-M120 WeakPolarHBondContact O-CB 3.45Å; E116-M120 PolarHBondContact O-N 2.86Å; I117-M120 PolarHBondContact O-N 2.93Å; F118-M120 VanDerWaalsContact C-N 3.32Å; M120-Y122 VanDerWaalsContact C-N 3.25Å; M120-Y122 PolarHBondContact O-N 3.49Å; M120-T123 PolarHBondContact O-N 3.04Å; M120-T123 VanDerWaalsContact O-N 3.12Å; M120-T123 PolarHBondContact O-OG1 3.41Å; M120-F124 HydrophobicContact CG-CE1 4.37Å; M120-F124 HydrophobicContact CG-CE2 4.3Å; M120-F124 HydrophobicContact CG-CZ 3.77Å; M120-F124 PolarHBondContact O-N 3.42Å; M120-F124 HydrophobicContact SD-CZ 4.31Å
121	L	89.1	Confident	85.4	Confident	35 Å²	35	69.3 Å²	69.3	18%	0.183	36%	0.364	C	S	.	.	H	α-helix	trans	-58.1	-39.4	174.2	-75.1	170.1	0	0	0	112	L37 I41 L86 I117 F118 T123 F124	L37-L121 HydrophobicContact CD1-CD1 4.47Å; I41-L121 HydrophobicContact CD1-CD2 3.83Å; I41-L121 HydrophobicContact CD1-CG 3.94Å; L86-L121 HydrophobicContact CD1-CD2 3.7Å; I117-L121 HydrophobicContact CG2-CD1 4.12Å; I117-L121 WeakPolarHBondContact O-CB 3.5Å; I117-L121 VanDerWaalsContact O-CG 3.22Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 2.93Å; F118-L121 HydrophobicContact CD1-CD1 4.21Å; F118-L121 PolarHBondContact O-N 2.96Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 3.4Å; L121-F124 HydrophobicContact CD2-CD2 4.09Å; L121-F124 HydrophobicContact CD2-CE2 4.11Å; L121-F124 PolarHBondContact O-N 3.07Å
122	Y	87.8	Confident	86.3	Confident	150 Å²	150	67.3 Å²	67.3	59%	0.588	35%	0.35	S	S	*	.	H	α-helix	trans	-61.7	-42.3	176.4	-179.5	-103	0	0	0	111.4	F118 E119 M120 F124 T125 D126	F118-Y122 VanDerWaalsContact O-CB 3.31Å; F118-Y122 WeakPolarHBondContact O-CB 3.45Å; F118-Y122 PolarHBondContact O-N 3.45Å; E119-Y122 WeakPolarHBondContact O-CB 3.42Å; E119-Y122 PolarHBondContact O-N 3.08Å; M120-Y122 VanDerWaalsContact C-N 3.25Å; M120-Y122 PolarHBondContact O-N 3.49Å; Y122-F124 PolarHBondContact O-N 2.89Å; Y122-T125 PolarHBondContact O-N 3.19Å; Y122-T125 PolarHBondContact O-OG1 2.95Å; Y122-D126 PolarHBondContact O-N 2.89Å; Y122-D126 VanDerWaalsContact O-N 3.09Å
123	T	87.2	Confident	87.4	Confident	61 Å²	61	66.2 Å²	66.2	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-29.3	178.3	69.3	0	0	0	0	113.7	E119 M120 L121 T125 D126	E119-T123 VanDerWaalsContact O-CG2 3.32Å; E119-T123 WeakPolarHBondContact O-CG2 3.35Å; E119-T123 PolarHBondContact O-N 3.4Å; M120-T123 PolarHBondContact O-N 3.04Å; M120-T123 VanDerWaalsContact O-N 3.12Å; M120-T123 PolarHBondContact O-OG1 3.41Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 3.4Å; T123-T125 VanDerWaalsContact C-N 3.26Å; T123-T125 PolarHBondContact O-N 2.97Å; T123-D126 PolarHBondContact O-N 3.38Å
124	F	88.5	Confident	88.3	Confident	14 Å²	14	63.1 Å²	63.1	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-30.4	174.8	-55.5	-37.7	0	0	0	112.6	F46 H75 Y78 V82 M120 L121 Y122	F46-F124 HydrophobicContact CE1-CE1 4.36Å; F46-F124 AromaticContact CE1-CZ 3.91Å; F46-F124 HydrophobicContact CE1-CZ 3.91Å; F46-F124 HydrophobicContact CE2-CE2 4.2Å; F46-F124 HydrophobicContact CE2-CZ 4.29Å; F46-F124 HydrophobicContact CZ-CD2 4.5Å; F46-F124 AromaticContact CZ-CE1 3.97Å; F46-F124 HydrophobicContact CZ-CE1 3.97Å; F46-F124 AromaticContact CZ-CE2 3.68Å; F46-F124 HydrophobicContact CZ-CE2 3.68Å; F46-F124 AromaticContact CZ-CZ 3.37Å; F46-F124 HydrophobicContact CZ-CZ 3.37Å; H75-F124 PolarHBondContact NE2-O 3.4Å; H75-F124 VanDerWaalsContact NE2-O 3.08Å; Y78-F124 HydrophobicContact CE1-CB 4.1Å; Y78-F124 HydrophobicContact CE1-CD1 4.15Å; Y78-F124 HydrophobicContact CE1-CG 4.42Å; Y78-F124 WeakPolarHBondContact OH-CD1 3.49Å; V82-F124 HydrophobicContact CG1-CD2 4.01Å; M120-F124 HydrophobicContact CG-CE1 4.37Å; M120-F124 HydrophobicContact CG-CE2 4.3Å; M120-F124 HydrophobicContact CG-CZ 3.77Å; M120-F124 PolarHBondContact O-N 3.42Å; M120-F124 HydrophobicContact SD-CZ 4.31Å; L121-F124 HydrophobicContact CD2-CD2 4.09Å; L121-F124 HydrophobicContact CD2-CE2 4.11Å; L121-F124 PolarHBondContact O-N 3.07Å; Y122-F124 PolarHBondContact O-N 2.89Å
125	T	88	Confident	89.4	Confident	75 Å²	75	56.9 Å²	56.9	46%	0.46	29%	0.288	S	S	.	.	H	α-helix	trans	-88.3	-16.6	178.5	69.6	0	0	0	0	113.2	H75 Y122 T123 F127	H75-T125 PolarHBondContact CE1-O 3.17Å; H75-T125 VanDerWaalsContact CE1-O 3.26Å; Y122-T125 PolarHBondContact O-N 3.19Å; Y122-T125 PolarHBondContact O-OG1 2.95Å; T123-T125 VanDerWaalsContact C-N 3.26Å; T123-T125 PolarHBondContact O-N 2.97Å; T125-F127 PolarHBondContact O-N 3.05Å
126	D	92.2	Very high	90	Very high	51 Å²	51	59.2 Å²	59.2	27%	0.273	30%	0.295	S	S	.	.			trans	-80.1	117.2	177.7	-172.3	-68.5	0	0	0	110.4	Y122 T123 L128 A129 F130	Y122-D126 PolarHBondContact O-N 2.89Å; Y122-D126 VanDerWaalsContact O-N 3.09Å; T123-D126 PolarHBondContact O-N 3.38Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 2.87Å; D126-L128 WeakPolarHBondContact OD1-CA 3.39Å; D126-L128 WeakPolarHBondContact OD1-CB 3.41Å; D126-L128 PolarHBondContact OD1-N 3.34Å; D126-A129 HydrophobicContact CB-CB 3.98Å; D126-A129 PolarHBondContact OD1-N 2.72Å; D126-F130 VanDerWaalsContact O-CB 3.24Å; D126-F130 WeakPolarHBondContact O-CB 3.2Å; D126-F130 PolarHBondContact O-N 3.17Å
127	F	92.2	Very high	90.3	Very high	54 Å²	54	53.7 Å²	53.7	24%	0.237	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-35.9	-178.2	176.3	-96.7	0	0	0	113	N67 Y71 H75 T125 K131	N67-F127 WeakPolarHBondContact ND2-CE1 3.39Å; Y71-F127 HydrophobicContact CD2-CZ 4.1Å; Y71-F127 HydrophobicContact CG-CZ 4.36Å; H75-F127 HydrophobicContact CB-CD2 3.95Å; H75-F127 HydrophobicContact CB-CE2 4.29Å; H75-F127 AromaticContact CG-CD2 3.91Å; H75-F127 AromaticContact ND1-CD2 3.59Å; T125-F127 PolarHBondContact O-N 3.05Å; F127-K131 HydrophobicContact CE1-CD 4.41Å; F127-K131 WeakPolarHBondContact O-CB 3.38Å; F127-K131 PolarHBondContact O-N 3.5Å
128	L	91.2	Very high	90.5	Very high	105 Å²	105	54.9 Å²	54.9	55%	0.55	27%	0.272	S	S	.	.	H	α-helix	trans	-70.1	-48.2	-178.5	-179.1	63.8	0	0	0	110	D126 F130 K131 E132	D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 2.87Å; D126-L128 WeakPolarHBondContact OD1-CA 3.39Å; D126-L128 WeakPolarHBondContact OD1-CB 3.41Å; D126-L128 PolarHBondContact OD1-N 3.34Å; L128-F130 VanDerWaalsContact C-N 3.29Å; L128-F130 PolarHBondContact O-N 3.24Å; L128-K131 PolarHBondContact O-N 3.27Å; L128-E132 WeakPolarHBondContact O-CG 3.36Å; L128-E132 PolarHBondContact O-N 3.04Å
129	A	91.1	Very high	90.6	Very high	32 Å²	32	55.5 Å²	55.5	26%	0.264	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-43.3	174.9	0	0	0	0	0	111.1	D126 E132 M133	D126-A129 HydrophobicContact CB-CB 3.98Å; D126-A129 PolarHBondContact OD1-N 2.72Å; A129-E132 PolarHBondContact O-N 3.36Å; A129-M133 VanDerWaalsContact O-CB 3.29Å; A129-M133 WeakPolarHBondContact O-CB 3.47Å; A129-M133 PolarHBondContact O-N 2.94Å
130	F	92	Very high	90.7	Very high	2 Å²	2	52 Å²	52	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-44.9	175.2	174.3	-103.2	0	0	0	112.8	F53 F61 I74 H75 Y78 D126 L128 M133 M134	F53-F130 HydrophobicContact CE1-CE2 4.45Å; F53-F130 HydrophobicContact CE1-CZ 4.19Å; F61-F130 HydrophobicContact CE1-CE1 4.19Å; F61-F130 HydrophobicContact CZ-CD1 4.49Å; F61-F130 AromaticContact CZ-CE1 3.69Å; F61-F130 HydrophobicContact CZ-CE1 3.69Å; F61-F130 HydrophobicContact CZ-CZ 4.36Å; I74-F130 HydrophobicContact CG2-CE1 4.36Å; I74-F130 HydrophobicContact CG2-CZ 4.09Å; H75-F130 HydrophobicContact CB-CD1 3.8Å; H75-F130 HydrophobicContact CB-CE1 3.72Å; H75-F130 HydrophobicContact CB-CZ 4.5Å; H75-F130 AromaticContact CD2-CD1 3.45Å; H75-F130 VanDerWaalsContact CD2-CD1 3.45Å; H75-F130 WeakPolarHBondContact CD2-CD1 3.49Å; H75-F130 AromaticContact CD2-CD2 3.91Å; H75-F130 AromaticContact CD2-CE1 3.96Å; H75-F130 AromaticContact CD2-CG 3.41Å; H75-F130 VanDerWaalsContact CD2-CG 3.41Å; H75-F130 WeakPolarHBondContact CD2-CG 3.3Å; H75-F130 AromaticContact CG-CD1 3.78Å; Y78-F130 AromaticContact CD1-CD2 3.48Å; Y78-F130 HydrophobicContact CD1-CD2 3.48Å; Y78-F130 VanDerWaalsContact CD1-CD2 3.48Å; Y78-F130 AromaticContact CD1-CE2 3.43Å; Y78-F130 HydrophobicContact CD1-CE2 3.43Å; Y78-F130 VanDerWaalsContact CD1-CE2 3.43Å; Y78-F130 HydrophobicContact CD1-CZ 4.45Å; Y78-F130 AromaticContact CD2-CE2 3.96Å; Y78-F130 HydrophobicContact CD2-CE2 3.96Å; Y78-F130 AromaticContact CE1-CD2 3.84Å; Y78-F130 HydrophobicContact CE1-CD2 3.84Å; Y78-F130 HydrophobicContact CE1-CE2 4.04Å; Y78-F130 AromaticContact CG-CD2 3.95Å; Y78-F130 HydrophobicContact CG-CD2 3.95Å; Y78-F130 AromaticContact CG-CE2 3.36Å; Y78-F130 HydrophobicContact CG-CE2 3.36Å; Y78-F130 HydrophobicContact CG-CZ 4.15Å; D126-F130 VanDerWaalsContact O-CB 3.24Å; D126-F130 WeakPolarHBondContact O-CB 3.2Å; D126-F130 PolarHBondContact O-N 3.17Å; L128-F130 VanDerWaalsContact C-N 3.29Å; L128-F130 PolarHBondContact O-N 3.24Å; F130-M133 HydrophobicContact CD2-CE 3.78Å; F130-M133 HydrophobicContact CE2-CE 4.16Å; F130-M133 WeakPolarHBondContact O-CB 3.46Å; F130-M133 PolarHBondContact O-N 2.95Å; F130-M134 HydrophobicContact CE1-CE 4.42Å; F130-M134 HydrophobicContact CE1-CG 4.28Å; F130-M134 HydrophobicContact CE2-CE 3.82Å; F130-M134 HydrophobicContact CE2-CG 4.24Å; F130-M134 HydrophobicContact CZ-CE 3.47Å; F130-M134 VanDerWaalsContact CZ-CE 3.47Å; F130-M134 HydrophobicContact CZ-CG 4.01Å; F130-M134 PolarHBondContact O-N 2.86Å
131	K	91.5	Very high	90.6	Very high	20 Å²	20	54 Å²	54	9%	0.087	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-47.8	177.3	178.6	-179	177.5	-177.8	0	111.1	F61 N64 N67 F127 L128 M133 M134 I135	F61-K131 HydrophobicContact CD1-CG 4.14Å; F61-K131 HydrophobicContact CE1-CG 4.48Å; N64-K131 PolarHBondContact O-NZ 3.44Å; N67-K131 PolarHBondContact OD1-NZ 3.25Å; F127-K131 HydrophobicContact CE1-CD 4.41Å; F127-K131 WeakPolarHBondContact O-CB 3.38Å; F127-K131 PolarHBondContact O-N 3.5Å; L128-K131 PolarHBondContact O-N 3.27Å; K131-M133 VanDerWaalsContact C-N 3.33Å; K131-M133 PolarHBondContact O-N 3.44Å; K131-M134 PolarHBondContact O-N 3.32Å; K131-I135 HydrophobicContact CD-CD1 4.5Å; K131-I135 HydrophobicContact CG-CD1 3.88Å; K131-I135 WeakPolarHBondContact O-CG1 3.38Å; K131-I135 PolarHBondContact O-N 2.81Å
132	E	92	Very high	90.4	Very high	111 Å²	111	55.8 Å²	55.8	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-59.5	-45.6	177.7	-72.4	-177	150.3	0	0	111.1	L128 A129 M134 I135 D136	L128-E132 WeakPolarHBondContact O-CG 3.36Å; L128-E132 PolarHBondContact O-N 3.04Å; A129-E132 PolarHBondContact O-N 3.36Å; E132-M134 VanDerWaalsContact C-N 3.33Å; E132-M134 PolarHBondContact O-N 2.88Å; E132-I135 PolarHBondContact O-N 3.2Å; E132-I135 VanDerWaalsContact O-N 3.17Å; E132-D136 WeakPolarHBondContact O-CB 3.03Å; E132-D136 PolarHBondContact O-N 3.06Å
133	M	92.3	Very high	89.9	Confident	51 Å²	51	51.7 Å²	51.7	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-56.9	-43.3	176.3	-170.5	-172.4	62.6	0	0	112.3	M54 Y78 A129 F130 K131 Y137	M54-M133 HydrophobicContact CE-CB 4.44Å; M54-M133 HydrophobicContact CE-CE 4.08Å; M54-M133 HydrophobicContact CE-CG 3.58Å; M54-M133 WeakPolarHBondContact CE-O 3.39Å; M54-M133 HydrophobicContact CE-SD 4.24Å; M54-M133 HydrophobicContact SD-CE 4.15Å; M54-M133 HydrophobicContact SD-CG 4.36Å; M54-M133 HydrophobicContact SD-SD 4.32Å; Y78-M133 HydrophobicContact CE1-CE 4.36Å; A129-M133 VanDerWaalsContact O-CB 3.29Å; A129-M133 WeakPolarHBondContact O-CB 3.47Å; A129-M133 PolarHBondContact O-N 2.94Å; F130-M133 HydrophobicContact CD2-CE 3.78Å; F130-M133 HydrophobicContact CE2-CE 4.16Å; F130-M133 WeakPolarHBondContact O-CB 3.46Å; F130-M133 PolarHBondContact O-N 2.95Å; K131-M133 VanDerWaalsContact C-N 3.33Å; K131-M133 PolarHBondContact O-N 3.44Å; M133-Y137 WeakPolarHBondContact O-CB 3.32Å; M133-Y137 PolarHBondContact O-N 3.44Å
134	M	92.9	Very high	89.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-41.2	176.3	-78.4	-68.5	-159.7	0	0	113.1	F53 M54 N57 F61 I74 F130 K131 E132 Y137 K138	F53-M134 HydrophobicContact CD1-CE 3.72Å; F53-M134 HydrophobicContact CE1-CE 3.64Å; M54-M134 HydrophobicContact CB-SD 4.13Å; M54-M134 HydrophobicContact CE-SD 4.28Å; M54-M134 HydrophobicContact CG-CE 4.32Å; M54-M134 HydrophobicContact CG-SD 3.98Å; N57-M134 HydrophobicContact CB-CE 3.85Å; F61-M134 HydrophobicContact CB-CB 4.07Å; F61-M134 HydrophobicContact CD1-CB 3.91Å; F61-M134 HydrophobicContact CD1-CG 4.41Å; F61-M134 HydrophobicContact CD2-CB 3.76Å; F61-M134 HydrophobicContact CD2-CG 3.9Å; F61-M134 HydrophobicContact CD2-SD 4.35Å; F61-M134 HydrophobicContact CE1-CB 4.32Å; F61-M134 HydrophobicContact CE1-CG 4.35Å; F61-M134 HydrophobicContact CE2-CB 4.19Å; F61-M134 HydrophobicContact CE2-CE 4.19Å; F61-M134 HydrophobicContact CE2-CG 3.85Å; F61-M134 HydrophobicContact CE2-SD 4.33Å; F61-M134 HydrophobicContact CG-CB 3.62Å; F61-M134 HydrophobicContact CG-CG 4.2Å; F61-M134 HydrophobicContact CZ-CB 4.47Å; F61-M134 HydrophobicContact CZ-CG 4.09Å; I74-M134 HydrophobicContact CG2-CE 4.32Å; F130-M134 HydrophobicContact CE1-CE 4.42Å; F130-M134 HydrophobicContact CE1-CG 4.28Å; F130-M134 HydrophobicContact CE2-CE 3.82Å; F130-M134 HydrophobicContact CE2-CG 4.24Å; F130-M134 HydrophobicContact CZ-CE 3.47Å; F130-M134 VanDerWaalsContact CZ-CE 3.47Å; F130-M134 HydrophobicContact CZ-CG 4.01Å; F130-M134 PolarHBondContact O-N 2.86Å; K131-M134 PolarHBondContact O-N 3.32Å; E132-M134 VanDerWaalsContact C-N 3.33Å; E132-M134 PolarHBondContact O-N 2.88Å; M134-Y137 PolarHBondContact O-N 3.21Å; M134-K138 PolarHBondContact O-N 2.76Å
135	I	92.2	Very high	87.8	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.087	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-44.9	177.6	-70.4	167.2	0	0	0	110.4	F61 D62 E63 K131 E132 Y137 K138 K139	F61-I135 HydrophobicContact CB-CG1 4.21Å; D62-I135 WeakPolarHBondContact O-CD1 3.38Å; E63-I135 HydrophobicContact CG-CD1 4.36Å; E63-I135 HydrophobicContact CG-CG2 3.61Å; K131-I135 HydrophobicContact CD-CD1 4.5Å; K131-I135 HydrophobicContact CG-CD1 3.88Å; K131-I135 WeakPolarHBondContact O-CG1 3.38Å; K131-I135 PolarHBondContact O-N 2.81Å; E132-I135 PolarHBondContact O-N 3.2Å; E132-I135 VanDerWaalsContact O-N 3.17Å; I135-Y137 VanDerWaalsContact C-N 3.3Å; I135-Y137 PolarHBondContact O-N 3.44Å; I135-K138 WeakPolarHBondContact O-CB 3.42Å; I135-K138 PolarHBondContact O-N 3.02Å; I135-K139 HydrophobicContact CG2-CD 4.15Å; I135-K139 WeakPolarHBondContact O-CG 3.47Å; I135-K139 PolarHBondContact O-N 3.04Å
136	D	91.7	Very high	86	Confident	76 Å²	76	59.6 Å²	59.6	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-62.8	-40.5	178.2	-78.4	-14	0	0	0	111.4	E132 K139 A140	E132-D136 WeakPolarHBondContact O-CB 3.03Å; E132-D136 PolarHBondContact O-N 3.06Å; D136-K139 PolarHBondContact O-N 3.39Å; D136-A140 WeakPolarHBondContact O-CB 3.38Å; D136-A140 PolarHBondContact O-N 2.94Å
137	Y	92.3	Very high	84.1	Confident	31 Å²	31	62.6 Å²	62.6	12%	0.122	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-43.8	173.3	-169.3	-85.4	0	0	0	112.6	D51 M54 N55 Y58 M133 M134 I135 K139 A140 K141	D51-Y137 PolarHBondContact O-OH 3.06Å; D51-Y137 VanDerWaalsContact OD1-CE2 3.22Å; D51-Y137 WeakPolarHBondContact OD1-CE2 3.36Å; D51-Y137 VanDerWaalsContact OD1-CZ 3.3Å; D51-Y137 PolarHBondContact OD1-OH 3.29Å; M54-Y137 HydrophobicContact CB-CD1 3.97Å; M54-Y137 HydrophobicContact CB-CD2 3.94Å; M54-Y137 HydrophobicContact CB-CE1 3.99Å; M54-Y137 HydrophobicContact CB-CE2 3.96Å; M54-Y137 HydrophobicContact CB-CG 3.95Å; M54-Y137 HydrophobicContact CE-CD2 3.61Å; M54-Y137 HydrophobicContact CE-CG 3.61Å; M54-Y137 HydrophobicContact SD-CD2 3.82Å; M54-Y137 HydrophobicContact SD-CE2 4.3Å; M54-Y137 HydrophobicContact SD-CG 4.31Å; N55-Y137 HydrophobicContact CB-CE1 4.27Å; Y58-Y137 HydrophobicContact CD1-CD1 4.38Å; Y58-Y137 HydrophobicContact CD1-CE1 4.25Å; Y58-Y137 HydrophobicContact CG-CD1 4.14Å; Y58-Y137 HydrophobicContact CG-CE1 4.46Å; M133-Y137 WeakPolarHBondContact O-CB 3.32Å; M133-Y137 PolarHBondContact O-N 3.44Å; M134-Y137 PolarHBondContact O-N 3.21Å; I135-Y137 VanDerWaalsContact C-N 3.3Å; I135-Y137 PolarHBondContact O-N 3.44Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 3.39Å; Y137-A140 PolarHBondContact O-N 2.88Å; Y137-K141 HydrophobicContact CD1-CG 4.02Å; Y137-K141 HydrophobicContact CE1-CD 4.24Å; Y137-K141 HydrophobicContact CE1-CG 3.71Å; Y137-K141 WeakPolarHBondContact O-CG 3.25Å; Y137-K141 PolarHBondContact O-N 3.27Å; Y137-K141 WeakPolarHBondContact OH-CE 3.35Å; Y137-K141 PolarHBondContact OH-NZ 2.86Å; Y137-K141 VanDerWaalsContact OH-NZ 3.16Å
138	K	92.2	Very high	82.2	Confident	47 Å²	47	66.3 Å²	66.3	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-58.5	-45.1	173.6	179.3	169.5	-168.2	166	0	111.3	Y58 D59 F61 M134 I135 A140 K141 T142	Y58-K138 HydrophobicContact CD2-CB 3.74Å; Y58-K138 HydrophobicContact CD2-CD 4.34Å; Y58-K138 HydrophobicContact CD2-CG 3.77Å; Y58-K138 HydrophobicContact CE2-CG 4.34Å; Y58-K138 HydrophobicContact CG-CB 4.48Å; Y58-K138 WeakPolarHBondContact O-CD 3.47Å; D59-K138 PolarHBondContact O-NZ 2.8Å; F61-K138 VanDerWaalsContact O-CD 3.26Å; F61-K138 WeakPolarHBondContact O-CD 3.37Å; F61-K138 PolarHBondContact O-NZ 3.44Å; M134-K138 PolarHBondContact O-N 2.76Å; I135-K138 WeakPolarHBondContact O-CB 3.42Å; I135-K138 PolarHBondContact O-N 3.02Å; K138-A140 VanDerWaalsContact C-N 3.34Å; K138-A140 PolarHBondContact O-N 3.39Å; K138-K141 PolarHBondContact O-N 3.01Å; K138-T142 HydrophobicContact CG-CG2 4.39Å; K138-T142 WeakPolarHBondContact O-CB 3.18Å; K138-T142 WeakPolarHBondContact O-CG2 3.21Å; K138-T142 PolarHBondContact O-N 3.21Å; K138-T142 PolarHBondContact O-OG1 2.89Å
139	K	90.2	Very high	80.4	Confident	44 Å²	44	68.7 Å²	68.7	19%	0.191	38%	0.376	C	S	.	.	H	α-helix	trans	-63.8	-39.9	177.7	-70.7	171.7	178.9	172.5	0	111.5	E63 I135 D136 Y137 T142 G143 Q144 T145	E63-K139 VanDerWaalsContact OE1-CE 3.25Å; E63-K139 WeakPolarHBondContact OE1-CE 3.41Å; E63-K139 IonicContact OE1-NZ 3.11Å; E63-K139 PolarHBondContact OE1-NZ 3.37Å; E63-K139 WeakPolarHBondContact OE2-CE 3.34Å; E63-K139 IonicContact OE2-NZ 2.64Å; I135-K139 HydrophobicContact CG2-CD 4.15Å; I135-K139 WeakPolarHBondContact O-CG 3.47Å; I135-K139 PolarHBondContact O-N 3.04Å; D136-K139 PolarHBondContact O-N 3.39Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 3.39Å; K139-T142 WeakPolarHBondContact CA-OG1 3.26Å; K139-T142 PolarHBondContact O-N 3.46Å; K139-T142 PolarHBondContact O-OG1 2.91Å; K139-G143 CarbonylContact O-C 3.6Å; K139-G143 PolarHBondContact O-N 2.76Å; K139-Q144 HydrophobicContact CB-CB 4.03Å; K139-Q144 HydrophobicContact CG-CB 4.17Å; K139-Q144 PolarHBondContact O-N 3.03Å; K139-T145 HydrophobicContact CB-CG2 3.33Å; K139-T145 HydrophobicContact CD-CG2 4.29Å; K139-T145 HydrophobicContact CG-CG2 4.44Å; K139-T145 PolarHBondContact O-N 3.27Å
140	A	89	Confident	78.5	Confident	52 Å²	52	72.3 Å²	72.3	43%	0.43	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-44.9	175.8	0	0	0	0	0	112	D136 Y137 K138 G143 T145	D136-A140 WeakPolarHBondContact O-CB 3.38Å; D136-A140 PolarHBondContact O-N 2.94Å; Y137-A140 PolarHBondContact O-N 2.88Å; K138-A140 VanDerWaalsContact C-N 3.34Å; K138-A140 PolarHBondContact O-N 3.39Å; A140-G143 PolarHBondContact O-N 2.72Å; A140-T145 WeakPolarHBondContact CA-OG1 3.43Å
141	K	87	Confident	76.6	Confident	106 Å²	106	77 Å²	77	46%	0.461	42%	0.415	S	S	.	.	H	α-helix	trans	-67.8	-36.8	177.4	-71.6	-74.8	-175.7	169.1	0	113.5	N55 Y58 Y137 K138 G143	N55-K141 PolarHBondContact OD1-NZ 3.27Å; Y58-K141 HydrophobicContact CE2-CB 4.45Å; Y137-K141 HydrophobicContact CD1-CG 4.02Å; Y137-K141 HydrophobicContact CE1-CD 4.24Å; Y137-K141 HydrophobicContact CE1-CG 3.71Å; Y137-K141 WeakPolarHBondContact O-CG 3.25Å; Y137-K141 PolarHBondContact O-N 3.27Å; Y137-K141 WeakPolarHBondContact OH-CE 3.35Å; Y137-K141 PolarHBondContact OH-NZ 2.86Å; Y137-K141 VanDerWaalsContact OH-NZ 3.16Å; K138-K141 PolarHBondContact O-N 3.01Å; K141-G143 VanDerWaalsContact C-N 3.28Å
142	T	85.1	Confident	74.4	Confident	72 Å²	72	80.1 Å²	80.1	44%	0.442	43%	0.432	S	S	.	.	H	α-helix	trans	-85.5	-0.7	-179.8	55.2	0	0	0	0	113.2	K138 K139 Q144	K138-T142 HydrophobicContact CG-CG2 4.39Å; K138-T142 WeakPolarHBondContact O-CB 3.18Å; K138-T142 WeakPolarHBondContact O-CG2 3.21Å; K138-T142 PolarHBondContact O-N 3.21Å; K138-T142 PolarHBondContact O-OG1 2.89Å; K139-T142 WeakPolarHBondContact CA-OG1 3.26Å; K139-T142 PolarHBondContact O-N 3.46Å; K139-T142 PolarHBondContact O-OG1 2.91Å; T142-Q144 VanDerWaalsContact C-N 3.27Å; T142-Q144 PolarHBondContact O-N 3.16Å; T142-Q144 PolarHBondContact OG1-NE2 3.08Å
143	G	77.3	Confident	72.5	Confident	64 Å²	64	77.7 Å²	77.7	66%	0.66	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	17.9	-179.8	0	0	0	0	0	114.2	K139 A140 K141	K139-G143 CarbonylContact O-C 3.6Å; K139-G143 PolarHBondContact O-N 2.76Å; A140-G143 PolarHBondContact O-N 2.72Å; K141-G143 VanDerWaalsContact C-N 3.28Å
144	Q	72.4	Confident	70.4	Confident	125 Å²	125	81 Å²	81	58%	0.584	44%	0.439	S	S	*	.			trans	-82.4	-20.1	178.9	-67	-176.5	87.3	0	0	112.9	K139 T142	K139-Q144 HydrophobicContact CB-CB 4.03Å; K139-Q144 HydrophobicContact CG-CB 4.17Å; K139-Q144 PolarHBondContact O-N 3.03Å; T142-Q144 VanDerWaalsContact C-N 3.27Å; T142-Q144 PolarHBondContact O-N 3.16Å; T142-Q144 PolarHBondContact OG1-NE2 3.08Å
145	T	58.3	Low	68.1	Low	47 Å²	47	86.8 Å²	86.8	29%	0.288	47%	0.465	S	S	.	.			trans	-87.1	121.2	173.4	55.8	0	0	0	0	111.8	K139 A140	K139-T145 HydrophobicContact CB-CG2 3.33Å; K139-T145 HydrophobicContact CD-CG2 4.29Å; K139-T145 HydrophobicContact CG-CG2 4.44Å; K139-T145 PolarHBondContact O-N 3.27Å; A140-T145 WeakPolarHBondContact CA-OG1 3.43Å
146	V	52.1	Low	66	Low	145 Å²	145	93.4 Å²	93.4	88%	0.879	50%	0.496	S	S	*	.			trans	-88.9	10.9	162.6	-147.5	0	0	0	0	111.5	L148	V146-L148 PolarHBondContact O-N 3.22Å; V146-L148 VanDerWaalsContact O-N 3.11Å
147	N	50.9	Low	63.9	Low	114 Å²	114	99.3 Å²	99.3	61%	0.61	51%	0.513	S	S	*	.			trans	-82.8	97	-171.7	-113.7	-46.9	0	0	0	111.6	E149	N147-E149 PolarHBondContact O-N 2.89Å
148	L	51.9	Low	61.4	Low	131 Å²	131	101.5 Å²	101.5	69%	0.686	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-14	-178.2	-158.7	89.5	0	0	0	113.7	V146 N152	V146-L148 PolarHBondContact O-N 3.22Å; V146-L148 VanDerWaalsContact O-N 3.11Å; L148-N152 PolarHBondContact O-ND2 3.46Å
149	E	53.4	Low	58.9	Low	155 Å²	155	104.3 Å²	104.3	72%	0.724	54%	0.541	S	S	*	.	H	α-helix	trans	-87	-34.2	-167.6	-65.4	-175.9	172.4	0	0	114.2	N147 N152 S153	N147-E149 PolarHBondContact O-N 2.89Å; E149-N152 PolarHBondContact O-N 2.68Å; E149-S153 PolarHBondContact O-N 2.78Å
150	L	52.9	Low	56.4	Low	108 Å²	108	107.8 Å²	107.8	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-72.5	-39	179.6	-121	80.8	0	0	0	112.5	N152 S153 Y154	L150-N152 PolarHBondContact O-N 2.79Å; L150-S153 PolarHBondContact O-N 3.39Å; L150-S153 PolarHBondContact O-OG 3.42Å; L150-Y154 HydrophobicContact CD2-CE2 4.46Å; L150-Y154 HydrophobicContact CG-CE2 4.45Å; L150-Y154 WeakPolarHBondContact O-CD2 3.35Å
151	I	52.1	Low	54	Low	101 Å²	101	110.9 Å²	110.9	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-65.3	-35	178.3	-61.1	171.8	0	0	0	110	H155	I151-H155 WeakPolarHBondContact O-CB 3.32Å; I151-H155 PolarHBondContact O-N 3.28Å
152	N	44.5	Very low	51.7	Low	85 Å²	85	111.3 Å²	111.3	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-70.9	-33.9	-179.8	-74.9	-20.2	0	0	0	112.7	L148 E149 L150 H155 H156	L148-N152 PolarHBondContact O-ND2 3.46Å; E149-N152 PolarHBondContact O-N 2.68Å; L150-N152 PolarHBondContact O-N 2.79Å; N152-H155 PolarHBondContact O-N 3Å; N152-H156 VanDerWaalsContact O-CB 3.25Å; N152-H156 WeakPolarHBondContact O-CB 3.26Å; N152-H156 PolarHBondContact O-N 3.39Å
153	S	51.6	Low	49.2	Very low	61 Å²	61	114.7 Å²	114.7	43%	0.427	61%	0.609	S	S	.	*	H	α-helix	trans	-68.1	-40	177.7	59.6	0	0	0	0	112.3	E149 L150	E149-S153 PolarHBondContact O-N 2.78Å; L150-S153 PolarHBondContact O-N 3.39Å; L150-S153 PolarHBondContact O-OG 3.42Å
154	Y	48.2	Very low	47.3	Very low	121 Å²	121	120.6 Å²	120.6	48%	0.475	62%	0.622	S	S	.	*	H	α-helix	trans	-71.9	-34.4	175.3	-67.5	-73.3	0	0	0	113.1	L150	L150-Y154 HydrophobicContact CD2-CE2 4.46Å; L150-Y154 HydrophobicContact CG-CE2 4.45Å; L150-Y154 WeakPolarHBondContact O-CD2 3.35Å
155	H	45.9	Very low	45.7	Very low	121 Å²	121	122.3 Å²	122.3	56%	0.56	64%	0.635	S	S	*	*	H	α-helix	trans	-78.1	-30	177.2	-104.5	-87.7	0	0	0	113.9	I151 N152 Y157 N158 H159	I151-H155 WeakPolarHBondContact O-CB 3.32Å; I151-H155 PolarHBondContact O-N 3.28Å; N152-H155 PolarHBondContact O-N 3Å; H155-Y157 VanDerWaalsContact C-N 3.32Å; H155-Y157 PolarHBondContact O-N 3.38Å; H155-N158 PolarHBondContact O-N 3.2Å; H155-H159 PolarHBondContact O-N 3.28Å; H155-H159 VanDerWaalsContact O-N 3.14Å
156	H	47	Very low	44.8	Very low	156 Å²	156	127.3 Å²	127.3	72%	0.722	66%	0.66	S	S	*	*	H	α-helix	trans	-67.1	-34.7	-177	-144.8	83.4	0	0	0	112.1	N152	N152-H156 VanDerWaalsContact O-CB 3.25Å; N152-H156 WeakPolarHBondContact O-CB 3.26Å; N152-H156 PolarHBondContact O-N 3.39Å
157	Y	46.9	Very low	44.1	Very low	199 Å²	199	126.4 Å²	126.4	78%	0.78	66%	0.655	S	S	*	*	H	α-helix	trans	-75.2	-30.1	175.7	-82.6	-78.5	0	0	0	113.1	H155	H155-Y157 VanDerWaalsContact C-N 3.32Å; H155-Y157 PolarHBondContact O-N 3.38Å
158	N	41.3	Very low	43.4	Very low	77 Å²	77	127.6 Å²	127.6	41%	0.412	66%	0.66	S	S	.	*	H	α-helix	trans	-92.6	-5.3	-176.8	-92.9	-43.2	0	0	0	115.7	N44 H155	N44-N158 PolarHBondContact ND2-OD1 3.11Å; N44-N158 PolarHBondContact OD1-ND2 2.87Å; N44-N158 PolarHBondContact OD1-OD1 3.04Å; N44-N158 VanDerWaalsContact OD1-OD1 3.12Å; H155-N158 PolarHBondContact O-N 3.2Å
159	H	38.5	Very low	43	Very low	107 Å²	107	127.3 Å²	127.3	50%	0.495	66%	0.659	S	S	.	*	S	Bend	trans	-96.6	-0.6	178.8	-154.7	-85.4	0	0	0	115.4	H155 S161 I162	H155-H159 PolarHBondContact O-N 3.28Å; H155-H159 VanDerWaalsContact O-N 3.14Å; H159-S161 PolarHBondContact O-N 3.26Å; H159-I162 PolarHBondContact CE1-O 2.69Å
160	S	38	Very low	42.9	Very low	116 Å²	116	124.7 Å²	124.7	81%	0.811	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-0.2	175	-76.9	0	0	0	0	114.9
161	S	38.5	Very low	42.4	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	3.9	176.2	-123.4	0	0	0	0	115.3	H159	H159-S161 PolarHBondContact O-N 3.26Å
162	I	38.4	Very low	42.1	Very low	115 Å²	115	129.5 Å²	129.5	59%	0.59	67%	0.671	S	S	*	*	S	Bend	trans	-133.6	73.6	176.9	-48.8	-178.4	0	0	0	108.4	H159	H159-I162 PolarHBondContact CE1-O 2.69Å
163	I	34.1	Very low	41.9	Very low	142 Å²	142	131 Å²	131	73%	0.728	68%	0.683	S	S	*	*	S	Bend	trans	-175.6	90.8	131.5	-57.9	-45.6	0	0	0	106.1
164	M	35.9	Very low	41.4	Very low	189 Å²	189	134.1 Å²	134.1	93%	0.931	70%	0.695	S	S	*	*			trans	-168.8	54.9	140.8	-95	-162.9	-74.9	0	0	107.1
165	N	39.7	Very low	41.1	Very low	160 Å²	160	133.6 Å²	133.6	86%	0.856	71%	0.706	S	S	*	*	S	Bend	trans	-128	54.2	166.9	-145	43.7	0	0	0	108.7
166	D	39	Very low	40.6	Very low	153 Å²	153	135.6 Å²	135.6	82%	0.818	72%	0.72	S	S	*	*			trans	-166.3	75.3	163.2	-118.5	-50	0	0	0	109.8
167	T	36.8	Very low	40.2	Very low	126 Å²	126	134.6 Å²	134.6	77%	0.773	72%	0.724	S	S	*	*	S	Bend	trans	-156.6	91.6	149.2	-65.3	0	0	0	0	109.3
168	I	37.5	Very low	39.8	Very low	139 Å²	139	137.1 Å²	137.1	71%	0.713	74%	0.743	S	S	*	*			trans	57.2	98.8	137.1	-48.8	169.6	0	0	0	116.2	P170	I168-P170 WeakPolarHBondContact O-CD 3.25Å
169	D	42.9	Very low	39.7	Very low	124 Å²	124	140.1 Å²	140.1	66%	0.663	76%	0.759	S	S	*	*			trans	-82.1	114.2	150	-168.9	-48.7	0	0	0	108.4	Y171	D169-Y171 PolarHBondContact O-N 2.76Å; D169-Y171 VanDerWaalsContact OD1-CB 3.31Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.5Å; D169-Y171 WeakPolarHBondContact OD1-CD2 2.92Å; D169-Y171 PolarHBondContact OD1-N 2.96Å
170	P	50.4	Low	39.7	Very low	101 Å²	101	141.8 Å²	141.8	66%	0.656	77%	0.773	S	S	*	*			trans	-79.8	9.8	-178.5	32.1	-33.8	0	0	0	114.2	I168 N172	I168-P170 WeakPolarHBondContact O-CD 3.25Å; P170-N172 VanDerWaalsContact C-N 3.27Å; P170-N172 PolarHBondContact O-N 3.23Å
171	Y	43.9	Very low	39.8	Very low	182 Å²	182	143.3 Å²	143.3	71%	0.714	77%	0.771	S	S	*	*			trans	-89.8	38.9	177.7	-64.9	-77.5	0	0	0	113.8	D169 T173	D169-Y171 PolarHBondContact O-N 2.76Å; D169-Y171 VanDerWaalsContact OD1-CB 3.31Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.5Å; D169-Y171 WeakPolarHBondContact OD1-CD2 2.92Å; D169-Y171 PolarHBondContact OD1-N 2.96Å; Y171-T173 PolarHBondContact O-N 2.75Å
172	N	45.1	Very low	39.9	Very low	128 Å²	128	144.8 Å²	144.8	68%	0.684	77%	0.768	S	S	*	*			trans	-72	76.9	155.1	-170.1	61.4	0	0	0	109	P170 D174	P170-N172 VanDerWaalsContact C-N 3.27Å; P170-N172 PolarHBondContact O-N 3.23Å; N172-D174 PolarHBondContact ND2-OD2 3.21Å; N172-D174 PolarHBondContact O-N 3.31Å; N172-D174 VanDerWaalsContact O-N 3.15Å
173	T	40.1	Very low	40	Very low	115 Å²	115	146.6 Å²	146.6	71%	0.706	78%	0.779	S	S	*	*			trans	-71.4	92.4	166.4	42	0	0	0	0	109.1	Y171	Y171-T173 PolarHBondContact O-N 2.75Å
174	D	41.3	Very low	40.4	Very low	128 Å²	128	146.9 Å²	146.9	68%	0.684	78%	0.783	S	S	*	*			trans	-80.3	127.7	155.3	-81.9	-67.3	0	0	0	108.9	N172	N172-D174 PolarHBondContact ND2-OD2 3.21Å; N172-D174 PolarHBondContact O-N 3.31Å; N172-D174 VanDerWaalsContact O-N 3.15Å
175	P	41.7	Very low	40.7	Very low	110 Å²	110	143.9 Å²	143.9	71%	0.714	77%	0.772	S	S	*	*			trans	-76.5	150.8	-171.7	28.7	-33.2	0	0	0	113.6	V177	P175-V177 PolarHBondContact O-N 2.79Å
176	I	35.5	Very low	40.8	Very low	163 Å²	163	142.7 Å²	142.7	84%	0.836	77%	0.765	S	S	*	*			trans	-40.8	121.6	173.3	-63.2	158	0	0	0	112.2
177	V	39.8	Very low	41	Very low	134 Å²	134	141.8 Å²	141.8	81%	0.812	76%	0.761	S	S	*	*			trans	-101.3	104	162.2	-179.6	0	0	0	0	108.2	P175	P175-V177 PolarHBondContact O-N 2.79Å
178	Q	36.6	Very low	41.3	Very low	252 Å²	252	143.3 Å²	143.3	100%	1.178	76%	0.76	S	S	*	*			trans	48.8	0	165.5	-61	-168.5	40.5	0	0	119.7

Retrieved 178 of 178 residues in 311.2 ms (Link to these results)

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