A0A087YM72_POEFO Loading...

Spermatogenesis-associated protein 4

May play a role in apoptosis regulation.

AlphaFold DB , UniProt , Accession A0A087YM72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 176 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	48.2	Very low	208 Å²	208	123.2 Å²	123.2	100%	1.025	69%	0.693	S	S	*	*				0	112.3	0	-80.8	71.6	175.9	0	0	107.9
2	S	39.6	Very low	51	Low	112 Å²	112	119 Å²	119	78%	0.783	67%	0.668	S	S	*	*			trans	-96.5	118.5	-179.7	-58.7	0	0	0	0	109.2	S4	S2-S4 VanDerWaalsContact C-N 3.26Å; S2-S4 PolarHBondContact O-N 3.18Å
3	Y	41.2	Very low	53.3	Low	204 Å²	204	127.3 Å²	127.3	80%	0.8	68%	0.682	S	S	*	*			trans	-82.8	77.7	173.9	-37.9	-83	0	0	0	108.6	Q5	Y3-Q5 VanDerWaalsContact C-N 3.32Å; Y3-Q5 PolarHBondContact O-N 3Å
4	S	45.4	Very low	55.6	Low	113 Å²	113	126.8 Å²	126.8	79%	0.79	67%	0.674	S	S	*	*			trans	-87.9	75.2	167.9	-56.9	0	0	0	0	108.7	S2	S2-S4 VanDerWaalsContact C-N 3.26Å; S2-S4 PolarHBondContact O-N 3.18Å
5	Q	42.7	Very low	57.6	Low	153 Å²	153	118.5 Å²	118.5	72%	0.715	63%	0.63	S	S	*	*			trans	-115	127.9	157.6	-81.4	-122.8	-67.8	0	0	106.6	Y3 H7	Y3-Q5 VanDerWaalsContact C-N 3.32Å; Y3-Q5 PolarHBondContact O-N 3Å; Q5-H7 WeakPolarHBondContact CB-CD2 3.48Å; Q5-H7 VanDerWaalsContact CB-NE2 3.28Å; Q5-H7 WeakPolarHBondContact CB-NE2 3.26Å; Q5-H7 PolarHBondContact O-CD2 2.92Å; Q5-H7 PolarHBondContact O-N 2.99Å
6	G	39.8	Very low	59.2	Low	85 Å²	85	115.4 Å²	115.4	88%	0.876	61%	0.613	S	S	*	*			trans	-68.3	76.4	170.4	0	0	0	0	0	109.7	K8	G6-K8 PolarHBondContact O-N 2.59Å
7	H	46.6	Very low	60.7	Low	111 Å²	111	117.5 Å²	117.5	51%	0.514	62%	0.615	S	S	.	*			trans	-66.7	119.5	176.3	-72.4	-142.9	0	0	0	106.5	Q5 T9	Q5-H7 WeakPolarHBondContact CB-CD2 3.48Å; Q5-H7 VanDerWaalsContact CB-NE2 3.28Å; Q5-H7 WeakPolarHBondContact CB-NE2 3.26Å; Q5-H7 PolarHBondContact O-CD2 2.92Å; Q5-H7 PolarHBondContact O-N 2.99Å; H7-T9 WeakPolarHBondContact O-CG2 3.46Å; H7-T9 PolarHBondContact O-N 3.33Å
8	K	45.6	Very low	62.2	Low	168 Å²	168	112.4 Å²	112.4	73%	0.73	59%	0.587	S	S	*	*			trans	-50.3	111.4	165.3	-56.4	-179.5	178	-172.7	0	105.9	G6 G10	G6-K8 PolarHBondContact O-N 2.59Å; K8-G10 PolarHBondContact O-N 2.92Å
9	T	50.2	Low	63.4	Low	146 Å²	146	107.1 Å²	107.1	90%	0.896	56%	0.559	S	S	*	*	S	Bend	trans	-73.7	27.7	-169.1	47.2	0	0	0	0	113.2	H7	H7-T9 WeakPolarHBondContact O-CG2 3.46Å; H7-T9 PolarHBondContact O-N 3.33Å
10	G	64.3	Low	64.4	Low	38 Å²	38	107.5 Å²	107.5	39%	0.392	56%	0.557	S	S	.	*	S	Bend	trans	-152.8	140.4	-178.8	0	0	0	0	0	110.3	K8	K8-G10 PolarHBondContact O-N 2.92Å
11	V	74.4	Confident	65.4	Low	17 Å²	17	108.4 Å²	108.4	10%	0.103	56%	0.564	C	S	.	*			trans	-59.9	134.8	167	178.2	0	0	0	0	108.3	R13 V15 I16 L31 E102 V105	V11-R13 PolarHBondContact O-N 3.41Å; V11-V15 HydrophobicContact CG1-CB 3.59Å; V11-V15 HydrophobicContact CG1-CG1 3.54Å; V11-V15 HydrophobicContact CG1-CG2 4.49Å; V11-I16 HydrophobicContact CB-CD1 4.35Å; V11-I16 HydrophobicContact CB-CG1 4.11Å; V11-I16 HydrophobicContact CG1-CG1 3.84Å; V11-L31 HydrophobicContact CB-CD1 4.43Å; V11-L31 HydrophobicContact CG2-CD1 3.67Å; V11-E102 HydrophobicContact CG2-CB 3.8Å; V11-E102 HydrophobicContact CG2-CG 3.64Å; V11-V105 HydrophobicContact CG1-CG1 4.01Å; V11-V105 HydrophobicContact CG2-CG1 3.97Å
12	D	80.8	Confident	67.3	Low	73 Å²	73	99.4 Å²	99.4	39%	0.39	52%	0.519	S	S	.	.			trans	-56.4	140.6	179	-68.7	-75.6	0	0	0	110.4	E14 V15 I16 Q106	D12-E14 PolarHBondContact O-N 3.36Å; D12-E14 VanDerWaalsContact O-N 3.08Å; D12-V15 HydrophobicContact CB-CG2 4.18Å; D12-V15 WeakPolarHBondContact O-CB 3.39Å; D12-V15 PolarHBondContact O-N 3.17Å; D12-I16 PolarHBondContact O-N 3.17Å; D12-I16 VanDerWaalsContact O-N 3.08Å; D12-Q106 PolarHBondContact OD2-NE2 2.65Å
13	R	81.9	Confident	69.1	Low	227 Å²	227	98 Å²	98	86%	0.857	50%	0.5	S	S	*	.	H	α-helix	trans	-55.1	-32.8	-178.8	-69.9	-179.1	172.9	-172	-2.4	112.4	V11 I16 K17	V11-R13 PolarHBondContact O-N 3.41Å; R13-I16 PolarHBondContact O-N 3.18Å; R13-K17 WeakPolarHBondContact O-CB 3.47Å; R13-K17 PolarHBondContact O-N 3.37Å
14	E	84.9	Confident	71	Confident	120 Å²	120	88.8 Å²	88.8	56%	0.561	47%	0.465	S	S	*	.	H	α-helix	trans	-63.9	-44.4	176.5	-166.9	174.4	108	0	0	111.9	D12 I16 K17 W18 Y109	D12-E14 PolarHBondContact O-N 3.36Å; D12-E14 VanDerWaalsContact O-N 3.08Å; E14-I16 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 3.08Å; E14-K17 PolarHBondContact O-N 3.14Å; E14-W18 WeakPolarHBondContact O-CB 3.37Å; E14-W18 PolarHBondContact O-N 3.4Å; E14-Y109 WeakPolarHBondContact CG-OH 3.49Å; E14-Y109 WeakPolarHBondContact OE1-CE1 3.44Å; E14-Y109 PolarHBondContact OE1-OH 3.47Å
15	V	85.1	Confident	72.4	Confident	3 Å²	3	87.7 Å²	87.7	2%	0.018	46%	0.457	C	S	.	.	H	α-helix	trans	-65.5	-38.5	176.4	179.2	0	0	0	0	110.7	V11 D12 W18 L19 V105 Q106 Y109	V11-V15 HydrophobicContact CG1-CB 3.59Å; V11-V15 HydrophobicContact CG1-CG1 3.54Å; V11-V15 HydrophobicContact CG1-CG2 4.49Å; D12-V15 HydrophobicContact CB-CG2 4.18Å; D12-V15 WeakPolarHBondContact O-CB 3.39Å; D12-V15 PolarHBondContact O-N 3.17Å; V15-W18 HydrophobicContact CG1-CE3 4.09Å; V15-W18 HydrophobicContact CG1-CZ3 4.42Å; V15-W18 PolarHBondContact O-N 2.84Å; V15-L19 WeakPolarHBondContact O-CG 3.44Å; V15-L19 PolarHBondContact O-N 3.4Å; V15-V105 HydrophobicContact CG1-CG1 4.08Å; V15-V105 HydrophobicContact CG1-CG2 3.95Å; V15-Q106 HydrophobicContact CG2-CG 4.33Å; V15-Y109 HydrophobicContact CG2-CD1 3.64Å; V15-Y109 HydrophobicContact CG2-CE1 4.23Å; V15-Y109 HydrophobicContact CG2-CG 3.81Å
16	I	83.6	Confident	73.9	Confident	69 Å²	69	83.4 Å²	83.4	35%	0.354	44%	0.436	S	S	.	.	H	α-helix	trans	-63.8	-44.8	175.2	-61.6	175	0	0	0	110.7	V11 D12 R13 E14 W18 L19 Q20	V11-I16 HydrophobicContact CB-CD1 4.35Å; V11-I16 HydrophobicContact CB-CG1 4.11Å; V11-I16 HydrophobicContact CG1-CG1 3.84Å; D12-I16 PolarHBondContact O-N 3.17Å; D12-I16 VanDerWaalsContact O-N 3.08Å; R13-I16 PolarHBondContact O-N 3.18Å; E14-I16 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 3.08Å; I16-W18 VanDerWaalsContact C-N 3.34Å; I16-L19 PolarHBondContact O-N 2.93Å; I16-Q20 WeakPolarHBondContact O-CG 3.41Å; I16-Q20 PolarHBondContact O-N 2.97Å; I16-Q20 VanDerWaalsContact O-N 3.14Å
17	K	84.6	Confident	75.6	Confident	151 Å²	151	84.3 Å²	84.3	66%	0.657	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-43.5	176.8	-174.4	-178	176.3	-173.7	0	111	R13 E14 L19 Q20 D21	R13-K17 WeakPolarHBondContact O-CB 3.47Å; R13-K17 PolarHBondContact O-N 3.37Å; E14-K17 PolarHBondContact O-N 3.14Å; K17-L19 PolarHBondContact O-N 3.14Å; K17-Q20 WeakPolarHBondContact O-CB 3.44Å; K17-Q20 PolarHBondContact O-N 3.25Å; K17-Q20 VanDerWaalsContact O-N 3.14Å; K17-D21 PolarHBondContact O-N 3.34Å
18	W	88.4	Confident	77.1	Confident	26 Å²	26	80.2 Å²	80.2	10%	0.098	40%	0.401	C	S	.	.	H	α-helix	trans	-59.4	-43.9	175.7	166.2	74	0	0	0	112.5	E14 V15 I16 Q20 D21 L22 I44 Y48 V105 I108 Y109 L112	E14-W18 WeakPolarHBondContact O-CB 3.37Å; E14-W18 PolarHBondContact O-N 3.4Å; V15-W18 HydrophobicContact CG1-CE3 4.09Å; V15-W18 HydrophobicContact CG1-CZ3 4.42Å; V15-W18 PolarHBondContact O-N 2.84Å; I16-W18 VanDerWaalsContact C-N 3.34Å; W18-Q20 VanDerWaalsContact C-N 3.27Å; W18-Q20 PolarHBondContact O-N 3.36Å; W18-D21 PolarHBondContact O-N 3.46Å; W18-L22 HydrophobicContact CD2-CD1 3.79Å; W18-L22 HydrophobicContact CE3-CD1 4.19Å; W18-L22 HydrophobicContact CG-CD1 4.42Å; W18-L22 HydrophobicContact CH2-CD1 3.89Å; W18-L22 HydrophobicContact CZ2-CD1 3.47Å; W18-L22 VanDerWaalsContact CZ2-CD1 3.47Å; W18-L22 HydrophobicContact CZ3-CD1 4.23Å; W18-L22 WeakPolarHBondContact O-CG 3.17Å; W18-L22 PolarHBondContact O-N 2.57Å; W18-I44 HydrophobicContact CH2-CG2 3.66Å; W18-I44 HydrophobicContact CZ2-CG2 3.95Å; W18-Y48 HydrophobicContact CZ2-CE2 4.17Å; W18-Y48 PolarHBondContact NE1-OH 3.48Å; W18-V105 HydrophobicContact CZ3-CG2 4.13Å; W18-I108 HydrophobicContact CH2-CG2 3.94Å; W18-Y109 HydrophobicContact CB-CD2 4Å; W18-Y109 HydrophobicContact CB-CE2 3.79Å; W18-Y109 AromaticContact CD1-CE2 3.96Å; W18-Y109 AromaticContact CD2-CD2 3.45Å; W18-Y109 HydrophobicContact CD2-CD2 3.45Å; W18-Y109 VanDerWaalsContact CD2-CD2 3.45Å; W18-Y109 HydrophobicContact CD2-CE2 4.07Å; W18-Y109 HydrophobicContact CD2-CG 4.45Å; W18-Y109 AromaticContact CE2-CD2 3.89Å; W18-Y109 AromaticContact CE3-CD2 3.75Å; W18-Y109 HydrophobicContact CE3-CD2 3.75Å; W18-Y109 HydrophobicContact CE3-CG 4.36Å; W18-Y109 AromaticContact CG-CD2 3.55Å; W18-Y109 HydrophobicContact CG-CD2 3.55Å; W18-Y109 AromaticContact CG-CE2 3.64Å; W18-Y109 HydrophobicContact CG-CE2 3.64Å; W18-Y109 HydrophobicContact CZ3-CD2 4.4Å; W18-L112 HydrophobicContact CH2-CD1 4.21Å; W18-L112 HydrophobicContact CZ2-CD1 3.83Å
19	L	84.6	Confident	78.5	Confident	11 Å²	11	81.5 Å²	81.5	6%	0.058	41%	0.406	C	S	.	.	H	α-helix	trans	-61	-34.8	174.3	-74.6	171.6	0	0	0	113.1	V15 I16 K17 L22 L24 L31 I44 V105	V15-L19 WeakPolarHBondContact O-CG 3.44Å; V15-L19 PolarHBondContact O-N 3.4Å; I16-L19 PolarHBondContact O-N 2.93Å; K17-L19 PolarHBondContact O-N 3.14Å; L19-L22 HydrophobicContact CD2-CD1 4.33Å; L19-L24 HydrophobicContact CD2-CD1 4.35Å; L19-L31 HydrophobicContact CD1-CD2 4.04Å; L19-I44 HydrophobicContact CD2-CD1 3.7Å; L19-I44 HydrophobicContact CD2-CG1 4.31Å; L19-V105 HydrophobicContact CD1-CG2 3.98Å; L19-V105 HydrophobicContact CD2-CG2 4.17Å; L19-V105 HydrophobicContact CG-CG2 4.38Å
20	Q	83.7	Confident	80.1	Confident	114 Å²	114	79.4 Å²	79.4	53%	0.533	39%	0.389	S	S	.	.	H	α-helix	trans	-73.1	-32.5	176.8	-69.5	172.5	14.6	0	0	112.2	I16 K17 W18	I16-Q20 WeakPolarHBondContact O-CG 3.41Å; I16-Q20 PolarHBondContact O-N 2.97Å; I16-Q20 VanDerWaalsContact O-N 3.14Å; K17-Q20 WeakPolarHBondContact O-CB 3.44Å; K17-Q20 PolarHBondContact O-N 3.25Å; K17-Q20 VanDerWaalsContact O-N 3.14Å; W18-Q20 VanDerWaalsContact C-N 3.27Å; W18-Q20 PolarHBondContact O-N 3.36Å
21	D	84.4	Confident	80.8	Confident	128 Å²	128	79.3 Å²	79.3	68%	0.684	38%	0.38	S	S	*	.	H	α-helix	trans	-73.5	-27.2	180	-160.4	-109.4	0	0	0	112.8	K17 W18 E23	K17-D21 PolarHBondContact O-N 3.34Å; W18-D21 PolarHBondContact O-N 3.46Å; D21-E23 PolarHBondContact O-N 3.15Å
22	L	81.2	Confident	81.4	Confident	18 Å²	18	83.1 Å²	83.1	9%	0.094	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	0.8	-178.8	-81.5	162.1	0	0	0	116	W18 L19 L24 I44 R47 Y48	W18-L22 HydrophobicContact CD2-CD1 3.79Å; W18-L22 HydrophobicContact CE3-CD1 4.19Å; W18-L22 HydrophobicContact CG-CD1 4.42Å; W18-L22 HydrophobicContact CH2-CD1 3.89Å; W18-L22 HydrophobicContact CZ2-CD1 3.47Å; W18-L22 VanDerWaalsContact CZ2-CD1 3.47Å; W18-L22 HydrophobicContact CZ3-CD1 4.23Å; W18-L22 WeakPolarHBondContact O-CG 3.17Å; W18-L22 PolarHBondContact O-N 2.57Å; L19-L22 HydrophobicContact CD2-CD1 4.33Å; L22-L24 HydrophobicContact CB-CD2 3.98Å; L22-L24 HydrophobicContact CB-CG 3.9Å; L22-L24 PolarHBondContact O-N 2.85Å; L22-L24 VanDerWaalsContact O-N 3.15Å; L22-I44 HydrophobicContact CD1-CG1 4.46Å; L22-I44 HydrophobicContact CD1-CG2 4.17Å; L22-R47 HydrophobicContact CD2-CB 3.96Å; L22-R47 HydrophobicContact CD2-CG 4.18Å; L22-R47 PolarHBondContact O-NE 3.17Å; L22-Y48 HydrophobicContact CD2-CD2 4.47Å; L22-Y48 HydrophobicContact CD2-CE2 3.57Å
23	E	77.8	Confident	81.6	Confident	83 Å²	83	87.7 Å²	87.7	39%	0.388	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	39.6	-177.7	-64.1	-171	112.1	0	0	113.6	D21 R47 S125	D21-E23 PolarHBondContact O-N 3.15Å; E23-R47 VanDerWaalsContact O-CZ 3.31Å; E23-R47 PolarHBondContact O-NH2 3.21Å; E23-S125 VanDerWaalsContact OE2-CB 3.26Å; E23-S125 WeakPolarHBondContact OE2-CB 3.38Å; E23-S125 PolarHBondContact OE2-OG 3.23Å
24	L	80.7	Confident	81.8	Confident	11 Å²	11	78.8 Å²	78.8	6%	0.058	37%	0.373	C	S	.	.			trans	-59.1	153.2	-177.9	-60.6	177	0	0	0	112.2	L19 L22 F26 L40 E43 I44	L19-L24 HydrophobicContact CD2-CD1 4.35Å; L22-L24 HydrophobicContact CB-CD2 3.98Å; L22-L24 HydrophobicContact CB-CG 3.9Å; L22-L24 PolarHBondContact O-N 2.85Å; L22-L24 VanDerWaalsContact O-N 3.15Å; L24-F26 PolarHBondContact O-N 2.75Å; L24-F26 VanDerWaalsContact O-N 3.17Å; L24-L40 HydrophobicContact CD1-CD1 4.02Å; L24-E43 WeakPolarHBondContact CB-OE1 3.42Å; L24-E43 HydrophobicContact CD2-CG 3.97Å; L24-I44 HydrophobicContact CD1-CG1 4.17Å; L24-I44 HydrophobicContact CD2-CG1 4.1Å
25	S	74.7	Confident	81.9	Confident	89 Å²	89	73.1 Å²	73.1	62%	0.622	35%	0.347	S	S	*	.	S	Bend	trans	-61.4	-29.8	-178.2	-58.3	0	0	0	0	111.8	E43	S25-E43 WeakPolarHBondContact CB-OE2 3.35Å; S25-E43 PolarHBondContact N-OE1 3.4Å; S25-E43 PolarHBondContact OG-OE2 3.44Å
26	F	74.9	Confident	82.1	Confident	63 Å²	63	73 Å²	73	28%	0.276	35%	0.346	S	S	.	.	S	Bend	trans	-147.7	147.7	170.2	64.8	-85.8	0	0	0	110.8	L24 D34 Y39 L40	L24-F26 PolarHBondContact O-N 2.75Å; L24-F26 VanDerWaalsContact O-N 3.17Å; F26-D34 HydrophobicContact CE2-CB 4.39Å; F26-Y39 HydrophobicContact CE1-CD1 4.1Å; F26-Y39 HydrophobicContact CE1-CE1 4.01Å; F26-Y39 HydrophobicContact CZ-CD1 4.47Å; F26-L40 HydrophobicContact CE2-CD1 4.26Å; F26-L40 HydrophobicContact CZ-CD1 4.13Å
27	H	76.1	Confident	82.3	Confident	105 Å²	105	70.1 Å²	70.1	49%	0.486	33%	0.332	S	S	.	.			trans	-84.8	121.5	174.4	-72.3	77.2	0	0	0	109.4	K29	H27-K29 PolarHBondContact O-N 2.62Å
28	P	76.4	Confident	82.5	Confident	24 Å²	24	63 Å²	63	16%	0.156	30%	0.301	C	S	.	.			trans	-64.3	119.9	-179.1	27	-35.6	0	0	0	110.3	L31 D34 L40	P28-L31 HydrophobicContact CB-CD2 3.9Å; P28-L31 HydrophobicContact CG-CD2 3.5Å; P28-D34 VanDerWaalsContact CA-OD2 3.3Å; P28-D34 WeakPolarHBondContact CA-OD2 3.21Å; P28-D34 HydrophobicContact CB-CB 3.74Å; P28-D34 WeakPolarHBondContact CB-OD2 3.2Å; P28-L40 HydrophobicContact CB-CD2 3.73Å; P28-L40 HydrophobicContact CG-CD2 3.81Å
29	K	76.2	Confident	82.6	Confident	196 Å²	196	63.7 Å²	63.7	85%	0.852	30%	0.304	S	S	*	.	S	Bend	trans	-78.3	-31.2	172.8	-66.1	-176.4	-179.4	-179	0	110.9	H27 D34	H27-K29 PolarHBondContact O-N 2.62Å; K29-D34 PolarHBondContact N-OD2 2.89Å
30	N	82.9	Confident	82.9	Confident	101 Å²	101	63.2 Å²	63.2	54%	0.54	30%	0.301	S	S	.	.			trans	-131.8	86.1	-177.2	-72.7	-38.8	0	0	0	109	R32 R33 D34	N30-R32 PolarHBondContact O-N 3.32Å; N30-R33 HydrophobicContact CB-CB 4.06Å; N30-R33 PolarHBondContact O-N 3.19Å; N30-D34 PolarHBondContact N-OD2 3.42Å; N30-D34 VanDerWaalsContact N-OD2 3.09Å; N30-D34 PolarHBondContact O-N 3.34Å; N30-D34 VanDerWaalsContact O-OD2 3.12Å
31	L	80.6	Confident	83.2	Confident	37 Å²	37	57.8 Å²	57.8	19%	0.194	28%	0.276	C	S	.	.	H	α-helix	trans	-46.4	-43.5	-178.4	-70.2	173.4	0	0	0	112.8	V11 L19 P28 R33 D34 L35	V11-L31 HydrophobicContact CB-CD1 4.43Å; V11-L31 HydrophobicContact CG2-CD1 3.67Å; L19-L31 HydrophobicContact CD1-CD2 4.04Å; P28-L31 HydrophobicContact CB-CD2 3.9Å; P28-L31 HydrophobicContact CG-CD2 3.5Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.07Å; L31-D34 PolarHBondContact O-N 3.4Å; L31-L35 HydrophobicContact CB-CD1 4.07Å; L31-L35 HydrophobicContact CD2-CD1 4.22Å; L31-L35 WeakPolarHBondContact O-CB 3.42Å; L31-L35 WeakPolarHBondContact O-CD1 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.37Å
32	R	85.1	Confident	83.6	Confident	97 Å²	97	51.7 Å²	51.7	37%	0.366	24%	0.243	S	C	.	.	H	α-helix	trans	-57.8	-41.8	177.5	-67.4	176	66.6	-168.2	-0.1	113.5	N30 S36 C96 P98 A101	N30-R32 PolarHBondContact O-N 3.32Å; R32-S36 VanDerWaalsContact O-CB 3.24Å; R32-S36 WeakPolarHBondContact O-CB 3.48Å; R32-S36 PolarHBondContact O-N 2.86Å; R32-C96 PolarHBondContact NE-O 3.2Å; R32-C96 PolarHBondContact NH2-O 3.37Å; R32-P98 VanDerWaalsContact CZ-CA 3.43Å; R32-P98 VanDerWaalsContact NH2-N 3.12Å; R32-A101 HydrophobicContact CB-CB 4.36Å; R32-A101 HydrophobicContact CG-CB 3.95Å
33	R	85.3	Confident	84	Confident	168 Å²	168	51 Å²	51	63%	0.634	24%	0.239	S	C	*	.	H	α-helix	trans	-80.9	-41.9	-179.1	-173.4	177.9	179.1	177.6	-0.8	111.7	N30 L31	N30-R33 HydrophobicContact CB-CB 4.06Å; N30-R33 PolarHBondContact O-N 3.19Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.07Å
34	D	86.3	Confident	84.6	Confident	40 Å²	40	47 Å²	47	21%	0.214	22%	0.221	C	C	.	.	H	α-helix	trans	-73.8	-38	-174.3	-63.7	-44.6	0	0	0	111.4	F26 P28 K29 N30 L31 L40	F26-D34 HydrophobicContact CE2-CB 4.39Å; P28-D34 VanDerWaalsContact CA-OD2 3.3Å; P28-D34 WeakPolarHBondContact CA-OD2 3.21Å; P28-D34 HydrophobicContact CB-CB 3.74Å; P28-D34 WeakPolarHBondContact CB-OD2 3.2Å; K29-D34 PolarHBondContact N-OD2 2.89Å; N30-D34 PolarHBondContact N-OD2 3.42Å; N30-D34 VanDerWaalsContact N-OD2 3.09Å; N30-D34 PolarHBondContact O-N 3.34Å; N30-D34 VanDerWaalsContact O-OD2 3.12Å; L31-D34 PolarHBondContact O-N 3.4Å; D34-L40 HydrophobicContact CB-CD2 3.95Å
35	L	87.4	Confident	85	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-74.9	-31	174.6	-69.2	162	0	0	0	112.7	L31 N37 G38 L40 V41 W71 A101 V105	L31-L35 HydrophobicContact CB-CD1 4.07Å; L31-L35 HydrophobicContact CD2-CD1 4.22Å; L31-L35 WeakPolarHBondContact O-CB 3.42Å; L31-L35 WeakPolarHBondContact O-CD1 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.37Å; L35-N37 PolarHBondContact O-N 3.15Å; L35-N37 VanDerWaalsContact O-N 3.08Å; L35-G38 PolarHBondContact O-N 3.21Å; L35-L40 HydrophobicContact CD2-CD2 3.97Å; L35-L40 HydrophobicContact CD2-CG 4.44Å; L35-L40 HydrophobicContact CG-CD2 4.12Å; L35-V41 HydrophobicContact CD2-CG2 3.51Å; L35-W71 WeakPolarHBondContact O-CZ2 3.09Å; L35-A101 HydrophobicContact CB-CB 4.47Å; L35-A101 HydrophobicContact CD1-CB 4.05Å; L35-V105 HydrophobicContact CD1-CB 4.19Å
36	S	88.8	Confident	85.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53.8	-32.7	179.3	168.4	0	0	0	0	113	R32 G38 K67 W71 S93 I94 C96	R32-S36 VanDerWaalsContact O-CB 3.24Å; R32-S36 WeakPolarHBondContact O-CB 3.48Å; R32-S36 PolarHBondContact O-N 2.86Å; S36-G38 VanDerWaalsContact C-N 3.32Å; S36-G38 PolarHBondContact O-N 3.32Å; S36-K67 PolarHBondContact OG-NZ 3.38Å; S36-W71 PolarHBondContact O-NE1 2.89Å; S36-S93 VanDerWaalsContact CA-O 3.3Å; S36-S93 WeakPolarHBondContact CA-O 3.42Å; S36-S93 WeakPolarHBondContact CB-O 3.25Å; S36-S93 PolarHBondContact OG-O 3.48Å; S36-I94 PolarHBondContact OG-O 2.63Å; S36-C96 VanDerWaalsContact CB-SG 3.5Å; S36-C96 PolarHBondContact OG-SG 2.89Å; S36-C96 VanDerWaalsContact OG-SG 3.33Å
37	N	89	Confident	86.4	Confident	10 Å²	10	45 Å²	45	5%	0.053	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.2	-179.8	-160.9	1.7	0	0	0	113.8	L35 Y39 N60 G61 N70	L35-N37 PolarHBondContact O-N 3.15Å; L35-N37 VanDerWaalsContact O-N 3.08Å; N37-Y39 PolarHBondContact O-N 2.92Å; N37-N60 VanDerWaalsContact ND2-C 3.28Å; N37-N60 WeakPolarHBondContact ND2-CA 3.3Å; N37-N60 PolarHBondContact ND2-OD1 3.5Å; N37-G61 PolarHBondContact ND2-N 3.38Å; N37-G61 PolarHBondContact ND2-O 2.77Å; N37-G61 PolarHBondContact OD1-O 2.81Å; N37-N70 WeakPolarHBondContact O-CB 3.46Å; N37-N70 PolarHBondContact O-ND2 3.43Å; N37-N70 PolarHBondContact OD1-ND2 2.83Å
38	G	88.3	Confident	87	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	74.8	-12.6	-172.2	0	0	0	0	0	114.4	L35 S36 V41 A42 I74	L35-G38 PolarHBondContact O-N 3.21Å; S36-G38 VanDerWaalsContact C-N 3.32Å; S36-G38 PolarHBondContact O-N 3.32Å; G38-V41 PolarHBondContact O-N 2.95Å; G38-A42 PolarHBondContact O-N 3.29Å; G38-I74 VanDerWaalsContact O-CD1 3.26Å; G38-I74 WeakPolarHBondContact O-CD1 3.49Å
39	Y	90.8	Very high	87.5	Confident	41 Å²	41	44.1 Å²	44.1	16%	0.161	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-49.6	175.3	-179.8	-89.2	0	0	0	111.7	F26 N37 V41 A42 E43 V55 N60	F26-Y39 HydrophobicContact CE1-CD1 4.1Å; F26-Y39 HydrophobicContact CE1-CE1 4.01Å; F26-Y39 HydrophobicContact CZ-CD1 4.47Å; N37-Y39 PolarHBondContact O-N 2.92Å; Y39-V41 VanDerWaalsContact C-N 3.28Å; Y39-V41 PolarHBondContact O-N 3.16Å; Y39-A42 WeakPolarHBondContact O-CB 3.37Å; Y39-A42 PolarHBondContact O-N 3.01Å; Y39-A42 VanDerWaalsContact O-N 3.15Å; Y39-E43 PolarHBondContact O-N 3.1Å; Y39-V55 HydrophobicContact CD2-CG1 4.44Å; Y39-V55 HydrophobicContact CE1-CG1 4.15Å; Y39-V55 HydrophobicContact CE2-CG1 3.59Å; Y39-V55 VanDerWaalsContact CZ-CG1 3.42Å; Y39-V55 WeakPolarHBondContact OH-CG1 3.47Å; Y39-N60 HydrophobicContact CD2-CB 4.11Å; Y39-N60 HydrophobicContact CE2-CB 4.39Å; Y39-N60 HydrophobicContact CG-CB 4.18Å
40	L	89.9	Confident	88	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-39.6	177.8	-175.2	68.5	0	0	0	111.7	L24 F26 P28 D34 L35 A42 E43 I44	L24-L40 HydrophobicContact CD1-CD1 4.02Å; F26-L40 HydrophobicContact CE2-CD1 4.26Å; F26-L40 HydrophobicContact CZ-CD1 4.13Å; P28-L40 HydrophobicContact CB-CD2 3.73Å; P28-L40 HydrophobicContact CG-CD2 3.81Å; D34-L40 HydrophobicContact CB-CD2 3.95Å; L35-L40 HydrophobicContact CD2-CD2 3.97Å; L35-L40 HydrophobicContact CD2-CG 4.44Å; L35-L40 HydrophobicContact CG-CD2 4.12Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 2.68Å; L40-E43 PolarHBondContact O-N 3.48Å; L40-I44 HydrophobicContact CG-CD1 4.43Å; L40-I44 WeakPolarHBondContact O-CG1 3.37Å; L40-I44 PolarHBondContact O-N 3.46Å
41	V	91.1	Very high	88.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-45.9	175.6	178.8	0	0	0	0	110.4	L35 G38 Y39 E43 I44 F45 W71 I74 L104 I108	L35-V41 HydrophobicContact CD2-CG2 3.51Å; G38-V41 PolarHBondContact O-N 2.95Å; Y39-V41 VanDerWaalsContact C-N 3.28Å; Y39-V41 PolarHBondContact O-N 3.16Å; V41-E43 VanDerWaalsContact C-N 3.31Å; V41-E43 PolarHBondContact O-N 3.08Å; V41-I44 PolarHBondContact O-N 2.9Å; V41-F45 HydrophobicContact CG1-CD2 3.79Å; V41-F45 HydrophobicContact CG1-CE2 3.58Å; V41-F45 WeakPolarHBondContact O-CD2 3.37Å; V41-F45 PolarHBondContact O-N 3.19Å; V41-F45 VanDerWaalsContact O-N 3.08Å; V41-W71 HydrophobicContact CG1-CH2 4.49Å; V41-W71 HydrophobicContact CG2-CH2 3.95Å; V41-W71 HydrophobicContact CG2-CZ2 4.23Å; V41-I74 HydrophobicContact CB-CD1 4.07Å; V41-I74 HydrophobicContact CG1-CD1 4.08Å; V41-I74 HydrophobicContact CG1-CG2 4.25Å; V41-L104 HydrophobicContact CG2-CD2 4.34Å; V41-I108 HydrophobicContact CG1-CD1 3.98Å; V41-I108 HydrophobicContact CG2-CD1 4.48Å
42	A	91.4	Very high	88.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-38.2	175.9	0	0	0	0	0	112.2	G38 Y39 L40 F45 S46 I53 Y58	G38-A42 PolarHBondContact O-N 3.29Å; Y39-A42 WeakPolarHBondContact O-CB 3.37Å; Y39-A42 PolarHBondContact O-N 3.01Å; Y39-A42 VanDerWaalsContact O-N 3.15Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 2.68Å; A42-F45 PolarHBondContact O-N 2.94Å; A42-S46 WeakPolarHBondContact O-CB 3.45Å; A42-S46 PolarHBondContact O-N 2.9Å; A42-I53 HydrophobicContact CB-CG2 4.41Å; A42-I53 WeakPolarHBondContact O-CG2 3.34Å; A42-Y58 HydrophobicContact CB-CD1 3.79Å; A42-Y58 HydrophobicContact CB-CD2 3.59Å; A42-Y58 HydrophobicContact CB-CE1 3.8Å; A42-Y58 HydrophobicContact CB-CE2 3.61Å; A42-Y58 HydrophobicContact CB-CG 3.67Å
43	E	90.2	Very high	88.7	Confident	4 Å²	4	38 Å²	38	2%	0.019	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-45.2	176	-168.7	169.9	86.8	0	0	111.8	L24 S25 Y39 L40 V41 F45 S46 R47 V55	L24-E43 WeakPolarHBondContact CB-OE1 3.42Å; L24-E43 HydrophobicContact CD2-CG 3.97Å; S25-E43 WeakPolarHBondContact CB-OE2 3.35Å; S25-E43 PolarHBondContact N-OE1 3.4Å; S25-E43 PolarHBondContact OG-OE2 3.44Å; Y39-E43 PolarHBondContact O-N 3.1Å; L40-E43 PolarHBondContact O-N 3.48Å; V41-E43 VanDerWaalsContact C-N 3.31Å; V41-E43 PolarHBondContact O-N 3.08Å; E43-F45 PolarHBondContact O-N 3.37Å; E43-S46 WeakPolarHBondContact O-CB 3.17Å; E43-S46 PolarHBondContact O-N 3.45Å; E43-S46 VanDerWaalsContact O-N 3.15Å; E43-S46 PolarHBondContact O-OG 3.35Å; E43-R47 PolarHBondContact O-N 3Å; E43-V55 HydrophobicContact CB-CG1 4.34Å; E43-V55 HydrophobicContact CB-CG2 4.38Å; E43-V55 HydrophobicContact CG-CG2 4.4Å
44	I	90.5	Very high	88.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-55.5	-51.8	174	-67.1	165	0	0	0	110.1	W18 L19 L22 L24 L40 V41 S46 R47 Y48 I108 L112	W18-I44 HydrophobicContact CH2-CG2 3.66Å; W18-I44 HydrophobicContact CZ2-CG2 3.95Å; L19-I44 HydrophobicContact CD2-CD1 3.7Å; L19-I44 HydrophobicContact CD2-CG1 4.31Å; L22-I44 HydrophobicContact CD1-CG1 4.46Å; L22-I44 HydrophobicContact CD1-CG2 4.17Å; L24-I44 HydrophobicContact CD1-CG1 4.17Å; L24-I44 HydrophobicContact CD2-CG1 4.1Å; L40-I44 HydrophobicContact CG-CD1 4.43Å; L40-I44 WeakPolarHBondContact O-CG1 3.37Å; L40-I44 PolarHBondContact O-N 3.46Å; V41-I44 PolarHBondContact O-N 2.9Å; I44-S46 VanDerWaalsContact C-N 3.28Å; I44-S46 PolarHBondContact O-N 2.87Å; I44-R47 WeakPolarHBondContact O-CB 3.41Å; I44-R47 PolarHBondContact O-N 2.96Å; I44-Y48 WeakPolarHBondContact O-CD2 3.22Å; I44-I108 HydrophobicContact CG2-CG2 4.11Å; I44-L112 HydrophobicContact CG2-CD1 3.93Å
45	F	89.8	Confident	89	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-27.7	-179.9	-76.6	-69.8	0	0	0	113.6	V41 A42 E43 R47 Y48 Y49 I53 F77 L78 L83 L85 I108 M111 L112	V41-F45 HydrophobicContact CG1-CD2 3.79Å; V41-F45 HydrophobicContact CG1-CE2 3.58Å; V41-F45 WeakPolarHBondContact O-CD2 3.37Å; V41-F45 PolarHBondContact O-N 3.19Å; V41-F45 VanDerWaalsContact O-N 3.08Å; A42-F45 PolarHBondContact O-N 2.94Å; E43-F45 PolarHBondContact O-N 3.37Å; F45-R47 PolarHBondContact O-N 3.49Å; F45-Y48 PolarHBondContact O-N 3.37Å; F45-Y49 HydrophobicContact CD1-CD2 4.44Å; F45-Y49 HydrophobicContact CD1-CE2 4.46Å; F45-Y49 PolarHBondContact O-N 3.15Å; F45-I53 HydrophobicContact CB-CD1 3.3Å; F45-I53 HydrophobicContact CG-CD1 4.2Å; F45-F77 HydrophobicContact CB-CE1 4.24Å; F45-F77 AromaticContact CD1-CE1 3.83Å; F45-F77 HydrophobicContact CD1-CE1 3.83Å; F45-F77 HydrophobicContact CD1-CZ 4.48Å; F45-F77 HydrophobicContact CE1-CE1 4.37Å; F45-F77 HydrophobicContact CG-CE1 4.03Å; F45-L78 HydrophobicContact CE1-CD2 4.08Å; F45-L78 HydrophobicContact CE2-CD2 4.22Å; F45-L78 HydrophobicContact CZ-CD2 3.7Å; F45-L83 HydrophobicContact CE1-CD1 4.3Å; F45-L85 HydrophobicContact CZ-CD1 4.46Å; F45-I108 HydrophobicContact CE2-CD1 4.39Å; F45-I108 HydrophobicContact CE2-CG1 4.38Å; F45-I108 HydrophobicContact CE2-CG2 4.44Å; F45-I108 HydrophobicContact CZ-CG1 4.18Å; F45-I108 HydrophobicContact CZ-CG2 4.05Å; F45-M111 HydrophobicContact CE1-CE 3.54Å; F45-M111 HydrophobicContact CZ-CE 3.54Å; F45-L112 HydrophobicContact CD1-CD1 4.4Å; F45-L112 HydrophobicContact CD1-CD2 4.04Å; F45-L112 HydrophobicContact CE1-CD1 4.26Å; F45-L112 HydrophobicContact CE1-CD2 3.91Å; F45-L112 HydrophobicContact CE1-CG 4.3Å
46	S	89.9	Confident	88.9	Confident	18 Å²	18	42.1 Å²	42.1	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-24.2	176.3	77.7	0	0	0	0	113.2	A42 E43 I44 Y48 Y49 P50 V55	A42-S46 WeakPolarHBondContact O-CB 3.45Å; A42-S46 PolarHBondContact O-N 2.9Å; E43-S46 WeakPolarHBondContact O-CB 3.17Å; E43-S46 PolarHBondContact O-N 3.45Å; E43-S46 VanDerWaalsContact O-N 3.15Å; E43-S46 PolarHBondContact O-OG 3.35Å; I44-S46 VanDerWaalsContact C-N 3.28Å; I44-S46 PolarHBondContact O-N 2.87Å; S46-Y48 VanDerWaalsContact C-N 3.34Å; S46-Y49 CarbonylContact O-C 3.56Å; S46-P50 VanDerWaalsContact O-CA 3.25Å; S46-P50 WeakPolarHBondContact O-CA 3.32Å; S46-P50 WeakPolarHBondContact O-CD 3.44Å; S46-P50 VanDerWaalsContact O-N 3.13Å; S46-V55 WeakPolarHBondContact OG-CG2 3.22Å
47	R	88.8	Confident	88.8	Confident	101 Å²	101	45 Å²	45	38%	0.381	22%	0.216	S	C	.	.	H	α-helix	trans	-70	-33	174.8	-64.5	-67.6	172.4	150.1	-1.1	112.5	L22 E23 E43 I44 F45	L22-R47 HydrophobicContact CD2-CB 3.96Å; L22-R47 HydrophobicContact CD2-CG 4.18Å; L22-R47 PolarHBondContact O-NE 3.17Å; E23-R47 VanDerWaalsContact O-CZ 3.31Å; E23-R47 PolarHBondContact O-NH2 3.21Å; E43-R47 PolarHBondContact O-N 3Å; I44-R47 WeakPolarHBondContact O-CB 3.41Å; I44-R47 PolarHBondContact O-N 2.96Å; F45-R47 PolarHBondContact O-N 3.49Å
48	Y	87.5	Confident	88.7	Confident	72 Å²	72	45.6 Å²	45.6	28%	0.282	22%	0.217	S	C	.	.	H	α-helix	trans	-91.2	-29.2	177.6	-67.6	-90.5	0	0	0	112.6	W18 L22 I44 F45 S46 L112	W18-Y48 HydrophobicContact CZ2-CE2 4.17Å; W18-Y48 PolarHBondContact NE1-OH 3.48Å; L22-Y48 HydrophobicContact CD2-CD2 4.47Å; L22-Y48 HydrophobicContact CD2-CE2 3.57Å; I44-Y48 WeakPolarHBondContact O-CD2 3.22Å; F45-Y48 PolarHBondContact O-N 3.37Å; S46-Y48 VanDerWaalsContact C-N 3.34Å; Y48-L112 HydrophobicContact CD1-CD2 4.29Å; Y48-L112 HydrophobicContact CD2-CD1 3.73Å; Y48-L112 HydrophobicContact CD2-CD2 4.06Å; Y48-L112 HydrophobicContact CD2-CG 4.36Å; Y48-L112 HydrophobicContact CE1-CB 4.19Å; Y48-L112 HydrophobicContact CE2-CB 4.29Å; Y48-L112 HydrophobicContact CE2-CD1 3.62Å; Y48-L112 HydrophobicContact CE2-CG 4.36Å; Y48-L112 HydrophobicContact CG-CD1 4.42Å; Y48-L112 HydrophobicContact CG-CD2 3.93Å
49	Y	88.7	Confident	88.6	Confident	39 Å²	39	51.1 Å²	51.1	15%	0.153	24%	0.243	C	C	.	.			trans	-133	63.3	-175.3	-56.2	-81.3	0	0	0	111.8	F45 S46 H51 D52 I53 F77 K81 L83 L112	F45-Y49 HydrophobicContact CD1-CD2 4.44Å; F45-Y49 HydrophobicContact CD1-CE2 4.46Å; F45-Y49 PolarHBondContact O-N 3.15Å; S46-Y49 CarbonylContact O-C 3.56Å; Y49-H51 PolarHBondContact O-N 3.45Å; Y49-H51 VanDerWaalsContact O-N 3.16Å; Y49-D52 PolarHBondContact O-N 2.9Å; Y49-D52 VanDerWaalsContact O-N 3.1Å; Y49-I53 PolarHBondContact O-N 3.08Å; Y49-F77 HydrophobicContact CD2-CE1 4.4Å; Y49-F77 HydrophobicContact CD2-CE2 4.4Å; Y49-F77 AromaticContact CD2-CZ 3.54Å; Y49-F77 HydrophobicContact CD2-CZ 3.54Å; Y49-F77 HydrophobicContact CE2-CZ 4.07Å; Y49-F77 HydrophobicContact CG-CE2 4.2Å; Y49-F77 AromaticContact CG-CZ 3.78Å; Y49-F77 HydrophobicContact CG-CZ 3.78Å; Y49-K81 HydrophobicContact CD1-CD 4.36Å; Y49-K81 HydrophobicContact CE1-CD 4.16Å; Y49-L83 HydrophobicContact CE2-CD1 4.4Å; Y49-L112 HydrophobicContact CE2-CD2 4.1Å
50	P	86.4	Confident	88.4	Confident	58 Å²	58	54 Å²	54	38%	0.377	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.7	-176	25	-35.1	0	0	0	113	S46	S46-P50 VanDerWaalsContact O-CA 3.25Å; S46-P50 WeakPolarHBondContact O-CA 3.32Å; S46-P50 WeakPolarHBondContact O-CD 3.44Å; S46-P50 VanDerWaalsContact O-N 3.13Å
51	H	87.1	Confident	88	Confident	182 Å²	182	54.3 Å²	54.3	84%	0.843	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-24.3	178.3	-64.2	-66.8	0	0	0	114	Y49	Y49-H51 PolarHBondContact O-N 3.45Å; Y49-H51 VanDerWaalsContact O-N 3.16Å
52	D	87	Confident	87.6	Confident	56 Å²	56	59.9 Å²	59.9	30%	0.299	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-25.8	-177.4	-72	-87.2	0	0	0	112.9	Y49 F77 K80 K81	Y49-D52 PolarHBondContact O-N 2.9Å; Y49-D52 VanDerWaalsContact O-N 3.1Å; D52-F77 HydrophobicContact CB-CD2 4.02Å; D52-F77 HydrophobicContact CB-CE2 3.63Å; D52-K80 IonicContact OD1-NZ 2.77Å; D52-K80 PolarHBondContact OD1-NZ 2.96Å; D52-K81 IonicContact OD1-NZ 3.65Å; D52-K81 WeakPolarHBondContact OD2-CE 3.2Å; D52-K81 IonicContact OD2-NZ 2.68Å; D52-K81 PolarHBondContact OD2-NZ 3.35Å
53	I	89.4	Confident	87.4	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.041	32%	0.319	C	S	.	.			trans	-121.6	116.8	-179.6	-71.1	171	0	0	0	110.3	A42 F45 Y49 Y58 F77	A42-I53 HydrophobicContact CB-CG2 4.41Å; A42-I53 WeakPolarHBondContact O-CG2 3.34Å; F45-I53 HydrophobicContact CB-CD1 3.3Å; F45-I53 HydrophobicContact CG-CD1 4.2Å; Y49-I53 PolarHBondContact O-N 3.08Å; I53-Y58 HydrophobicContact CG2-CE2 3.95Å; I53-F77 HydrophobicContact CD1-CB 4.47Å; I53-F77 HydrophobicContact CD1-CD1 3.48Å; I53-F77 VanDerWaalsContact CD1-CD1 3.48Å; I53-F77 HydrophobicContact CD1-CD2 3.61Å; I53-F77 HydrophobicContact CD1-CE1 3.43Å; I53-F77 VanDerWaalsContact CD1-CE1 3.43Å; I53-F77 HydrophobicContact CD1-CE2 3.57Å; I53-F77 HydrophobicContact CD1-CG 3.56Å; I53-F77 HydrophobicContact CD1-CZ 3.48Å; I53-F77 VanDerWaalsContact CD1-CZ 3.48Å; I53-F77 HydrophobicContact CG1-CD1 4.31Å; I53-F77 HydrophobicContact CG1-CD2 3.57Å; I53-F77 HydrophobicContact CG1-CE1 4.45Å; I53-F77 HydrophobicContact CG1-CE2 3.75Å; I53-F77 HydrophobicContact CG1-CG 3.87Å; I53-F77 HydrophobicContact CG1-CZ 4.19Å
54	S	88.6	Confident	87.2	Confident	58 Å²	58	67.6 Å²	67.6	41%	0.406	34%	0.34	S	S	.	.			trans	-97.4	111.2	166.6	175.9	0	0	0	0	110	Y56 S57 Y58	S54-Y56 PolarHBondContact O-N 2.92Å; S54-S57 VanDerWaalsContact O-CB 3.24Å; S54-S57 WeakPolarHBondContact O-CB 3.24Å; S54-S57 PolarHBondContact O-N 2.87Å; S54-S57 PolarHBondContact O-OG 3.35Å; S54-Y58 WeakPolarHBondContact O-CD2 3.34Å
55	V	87.4	Confident	87	Confident	18 Å²	18	70.5 Å²	70.5	11%	0.109	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-58.3	-33.7	179	-176	0	0	0	0	111.8	Y39 E43 S46 S57 Y58	Y39-V55 HydrophobicContact CD2-CG1 4.44Å; Y39-V55 HydrophobicContact CE1-CG1 4.15Å; Y39-V55 HydrophobicContact CE2-CG1 3.59Å; Y39-V55 VanDerWaalsContact CZ-CG1 3.42Å; Y39-V55 WeakPolarHBondContact OH-CG1 3.47Å; E43-V55 HydrophobicContact CB-CG1 4.34Å; E43-V55 HydrophobicContact CB-CG2 4.38Å; E43-V55 HydrophobicContact CG-CG2 4.4Å; S46-V55 WeakPolarHBondContact OG-CG2 3.22Å; V55-S57 PolarHBondContact O-N 3.37Å; V55-S57 VanDerWaalsContact O-N 3.11Å; V55-Y58 WeakPolarHBondContact O-CB 3.47Å; V55-Y58 PolarHBondContact O-N 2.93Å
56	Y	86.5	Confident	86.9	Confident	218 Å²	218	71.4 Å²	71.4	86%	0.855	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-61.7	-19.7	176.4	-55.5	-74.4	0	0	0	113.7	S54 Y58	S54-Y56 PolarHBondContact O-N 2.92Å; Y56-Y58 PolarHBondContact O-N 3.11Å
57	S	85.6	Confident	86.9	Confident	60 Å²	60	72.3 Å²	72.3	42%	0.42	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-77.4	-10.7	174.8	-59.5	0	0	0	0	112.7	S54 V55 R73	S54-S57 VanDerWaalsContact O-CB 3.24Å; S54-S57 WeakPolarHBondContact O-CB 3.24Å; S54-S57 PolarHBondContact O-N 2.87Å; S54-S57 PolarHBondContact O-OG 3.35Å; V55-S57 PolarHBondContact O-N 3.37Å; V55-S57 VanDerWaalsContact O-N 3.11Å; S57-R73 PolarHBondContact O-NH1 3.37Å
58	Y	88.1	Confident	86.9	Confident	23 Å²	23	72.6 Å²	72.6	9%	0.09	37%	0.374	C	S	.	.	S	Bend	trans	-101.2	138.7	-178.8	-66.4	-93.4	0	0	0	110.7	A42 I53 S54 V55 Y56 N70 R73 I74	A42-Y58 HydrophobicContact CB-CD1 3.79Å; A42-Y58 HydrophobicContact CB-CD2 3.59Å; A42-Y58 HydrophobicContact CB-CE1 3.8Å; A42-Y58 HydrophobicContact CB-CE2 3.61Å; A42-Y58 HydrophobicContact CB-CG 3.67Å; I53-Y58 HydrophobicContact CG2-CE2 3.95Å; S54-Y58 WeakPolarHBondContact O-CD2 3.34Å; V55-Y58 WeakPolarHBondContact O-CB 3.47Å; V55-Y58 PolarHBondContact O-N 2.93Å; Y56-Y58 PolarHBondContact O-N 3.11Å; Y58-N70 HydrophobicContact CD1-CB 3.97Å; Y58-R73 HydrophobicContact CE1-CB 3.76Å; Y58-I74 HydrophobicContact CE1-CD1 4.34Å; Y58-I74 HydrophobicContact CE1-CG1 3.75Å
59	H	86.8	Confident	87.1	Confident	117 Å²	117	75.3 Å²	75.3	54%	0.542	39%	0.387	S	S	.	.			trans	-93.8	122.8	-178.5	-168.9	-55.2	0	0	0	110	G61 N70	H59-G61 WeakPolarHBondContact ND1-CA 3.24Å; H59-G61 PolarHBondContact ND1-N 3.28Å; H59-G61 PolarHBondContact O-N 2.99Å; H59-N70 PolarHBondContact N-OD1 3.47Å; H59-N70 PolarHBondContact O-ND2 3.25Å
60	N	85.1	Confident	87.3	Confident	100 Å²	100	73.7 Å²	73.7	54%	0.535	38%	0.381	S	S	.	.			trans	-78.5	42.8	175	-167.8	12.5	0	0	0	112.8	N37 Y39	N37-N60 VanDerWaalsContact ND2-C 3.28Å; N37-N60 WeakPolarHBondContact ND2-CA 3.3Å; N37-N60 PolarHBondContact ND2-OD1 3.5Å; Y39-N60 HydrophobicContact CD2-CB 4.11Å; Y39-N60 HydrophobicContact CE2-CB 4.39Å; Y39-N60 HydrophobicContact CG-CB 4.18Å
61	G	82.6	Confident	87.6	Confident	9 Å²	9	71 Å²	71	9%	0.093	36%	0.364	C	S	.	.			trans	-95	153.6	-173.4	0	0	0	0	0	111.3	N37 H59	N37-G61 PolarHBondContact ND2-N 3.38Å; N37-G61 PolarHBondContact ND2-O 2.77Å; N37-G61 PolarHBondContact OD1-O 2.81Å; H59-G61 WeakPolarHBondContact ND1-CA 3.24Å; H59-G61 PolarHBondContact ND1-N 3.28Å; H59-G61 PolarHBondContact O-N 2.99Å
62	V	82.1	Confident	87.8	Confident	116 Å²	116	64.9 Å²	64.9	70%	0.703	34%	0.341	S	S	*	.			trans	-89.2	-9.8	179.2	-63.8	0	0	0	0	113.8	K67	V62-K67 WeakPolarHBondContact O-CE 3.35Å
63	S	86.8	Confident	88	Confident	60 Å²	60	68.1 Å²	68.1	42%	0.42	35%	0.349	S	S	.	.	S	Bend	trans	-70.5	138.6	-176.5	63.6	0	0	0	0	111.7	S65 S66 K67	S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 2.79Å; S63-S66 WeakPolarHBondContact O-CB 3.26Å; S63-S66 PolarHBondContact O-N 2.9Å; S63-S66 WeakPolarHBondContact OG-CB 3.41Å; S63-S66 PolarHBondContact OG-OG 3.44Å; S63-K67 WeakPolarHBondContact O-CG 3.34Å; S63-K67 PolarHBondContact O-N 2.87Å
64	F	85.8	Confident	88.2	Confident	106 Å²	106	67.8 Å²	67.8	47%	0.465	35%	0.348	S	S	.	.	H	α-helix	trans	-56.5	-38.9	-178.4	-175.7	-97.8	0	0	0	112.9	S66 K67 Q68 I94	F64-S66 VanDerWaalsContact C-N 3.34Å; F64-S66 PolarHBondContact O-N 2.85Å; F64-K67 WeakPolarHBondContact O-CB 3.5Å; F64-K67 PolarHBondContact O-N 3.3Å; F64-Q68 PolarHBondContact O-N 3.23Å; F64-I94 HydrophobicContact CD2-CG2 4.47Å; F64-I94 HydrophobicContact CE2-CG2 3.78Å; F64-I94 HydrophobicContact CZ-CG2 4.45Å
65	S	88	Confident	88.3	Confident	61 Å²	61	69.5 Å²	69.5	43%	0.427	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-41.1	175.7	-173.2	0	0	0	0	112.3	S63 Q68 K69	S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 2.79Å; S65-Q68 PolarHBondContact O-N 3.47Å; S65-K69 VanDerWaalsContact O-CG 3.3Å; S65-K69 WeakPolarHBondContact O-CG 3.05Å; S65-K69 PolarHBondContact O-N 3.09Å
66	S	87.9	Confident	88.5	Confident	20 Å²	20	76 Å²	76	14%	0.14	38%	0.376	C	S	.	.	H	α-helix	trans	-66.1	-42.4	175.8	-67	0	0	0	0	111.5	S63 F64 Q68 K69 N70	S63-S66 WeakPolarHBondContact O-CB 3.26Å; S63-S66 PolarHBondContact O-N 2.9Å; S63-S66 WeakPolarHBondContact OG-CB 3.41Å; S63-S66 PolarHBondContact OG-OG 3.44Å; F64-S66 VanDerWaalsContact C-N 3.34Å; F64-S66 PolarHBondContact O-N 2.85Å; S66-Q68 PolarHBondContact O-N 3.05Å; S66-K69 PolarHBondContact O-N 3.17Å; S66-N70 VanDerWaalsContact O-CG 3.26Å; S66-N70 PolarHBondContact O-N 3.47Å
67	K	89.1	Confident	88.7	Confident	36 Å²	36	66.4 Å²	66.4	16%	0.157	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-50.2	174.3	-56.6	-172.1	-179.7	-173.6	0	111	S36 V62 S63 F64 K69 N70 W71	S36-K67 PolarHBondContact OG-NZ 3.38Å; V62-K67 WeakPolarHBondContact O-CE 3.35Å; S63-K67 WeakPolarHBondContact O-CG 3.34Å; S63-K67 PolarHBondContact O-N 2.87Å; F64-K67 WeakPolarHBondContact O-CB 3.5Å; F64-K67 PolarHBondContact O-N 3.3Å; K67-K69 VanDerWaalsContact C-N 3.32Å; K67-K69 PolarHBondContact O-N 2.9Å; K67-N70 WeakPolarHBondContact O-CB 3.15Å; K67-N70 PolarHBondContact O-N 3.5Å; K67-W71 PolarHBondContact O-N 3.21Å
68	Q	89.6	Confident	88.9	Confident	107 Å²	107	64 Å²	64	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-39.4	-178.5	-166.2	-179.3	56.3	0	0	112.2	F64 S65 S66 S72	F64-Q68 PolarHBondContact O-N 3.23Å; S65-Q68 PolarHBondContact O-N 3.47Å; S66-Q68 PolarHBondContact O-N 3.05Å; Q68-S72 WeakPolarHBondContact O-CB 3.25Å; Q68-S72 PolarHBondContact O-N 3.19Å; Q68-S72 PolarHBondContact O-OG 2.67Å
69	K	91.4	Very high	89	Confident	129 Å²	129	71.3 Å²	71.3	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-63.8	-45	174.5	-73.9	174.8	-174.5	178.2	0	112.1	S65 S66 K67 S72 R73	S65-K69 VanDerWaalsContact O-CG 3.3Å; S65-K69 WeakPolarHBondContact O-CG 3.05Å; S65-K69 PolarHBondContact O-N 3.09Å; S66-K69 PolarHBondContact O-N 3.17Å; K67-K69 VanDerWaalsContact C-N 3.32Å; K67-K69 PolarHBondContact O-N 2.9Å; K69-S72 PolarHBondContact O-N 2.91Å; K69-R73 WeakPolarHBondContact O-CG 3.31Å; K69-R73 PolarHBondContact O-N 3.11Å; K69-R73 VanDerWaalsContact O-N 3.17Å
70	N	92.8	Very high	89.1	Confident	5 Å²	5	73 Å²	73	3%	0.027	36%	0.359	C	S	.	.	H	α-helix	trans	-59.5	-50.9	176.2	-71	-14.2	0	0	0	110.6	N37 Y58 H59 S66 K67 S72 R73 I74	N37-N70 WeakPolarHBondContact O-CB 3.46Å; N37-N70 PolarHBondContact O-ND2 3.43Å; N37-N70 PolarHBondContact OD1-ND2 2.83Å; Y58-N70 HydrophobicContact CD1-CB 3.97Å; H59-N70 PolarHBondContact N-OD1 3.47Å; H59-N70 PolarHBondContact O-ND2 3.25Å; S66-N70 VanDerWaalsContact O-CG 3.26Å; S66-N70 PolarHBondContact O-N 3.47Å; K67-N70 WeakPolarHBondContact O-CB 3.15Å; K67-N70 PolarHBondContact O-N 3.5Å; N70-S72 VanDerWaalsContact C-N 3.34Å; N70-S72 PolarHBondContact O-N 3.39Å; N70-R73 WeakPolarHBondContact O-CB 3.47Å; N70-R73 PolarHBondContact O-N 3.02Å; N70-I74 WeakPolarHBondContact O-CG1 3.42Å; N70-I74 PolarHBondContact O-N 2.96Å
71	W	91.8	Very high	89.2	Confident	3 Å²	3	71.5 Å²	71.5	1%	0.011	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-39.2	178.7	-81.2	107.5	0	0	0	113.4	L35 S36 V41 K67 R73 I74 Q75 V90 I94 L104	L35-W71 WeakPolarHBondContact O-CZ2 3.09Å; S36-W71 PolarHBondContact O-NE1 2.89Å; V41-W71 HydrophobicContact CG1-CH2 4.49Å; V41-W71 HydrophobicContact CG2-CH2 3.95Å; V41-W71 HydrophobicContact CG2-CZ2 4.23Å; K67-W71 PolarHBondContact O-N 3.21Å; W71-R73 VanDerWaalsContact C-N 3.25Å; W71-R73 PolarHBondContact O-N 3.32Å; W71-I74 HydrophobicContact CD2-CD1 4.39Å; W71-I74 HydrophobicContact CE3-CB 4.44Å; W71-I74 HydrophobicContact CE3-CD1 4.1Å; W71-I74 HydrophobicContact CE3-CG2 4.46Å; W71-I74 HydrophobicContact CZ3-CD1 4.4Å; W71-I74 HydrophobicContact CZ3-CG2 4.42Å; W71-I74 PolarHBondContact O-N 3.18Å; W71-Q75 WeakPolarHBondContact O-CG 3.35Å; W71-Q75 PolarHBondContact O-N 2.84Å; W71-V90 HydrophobicContact CD2-CG1 4.01Å; W71-V90 HydrophobicContact CE3-CG1 3.47Å; W71-V90 VanDerWaalsContact CE3-CG1 3.47Å; W71-V90 HydrophobicContact CH2-CG1 4.26Å; W71-V90 HydrophobicContact CH2-CG2 4.44Å; W71-V90 HydrophobicContact CZ3-CB 4.26Å; W71-V90 HydrophobicContact CZ3-CG1 3.62Å; W71-V90 HydrophobicContact CZ3-CG2 3.89Å; W71-I94 HydrophobicContact CB-CD1 4.06Å; W71-I94 HydrophobicContact CD2-CD1 4.27Å; W71-I94 HydrophobicContact CD2-CG1 4.14Å; W71-I94 HydrophobicContact CG-CD1 3.75Å; W71-I94 HydrophobicContact CG-CG1 3.8Å; W71-L104 HydrophobicContact CH2-CD1 4.32Å; W71-L104 HydrophobicContact CH2-CD2 3.57Å; W71-L104 HydrophobicContact CZ2-CD2 4.14Å
72	S	91.5	Very high	89.3	Confident	52 Å²	52	78.1 Å²	78.1	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-61	-34.8	174.6	-61.4	0	0	0	0	112.4	Q68 K69 N70 K76	Q68-S72 WeakPolarHBondContact O-CB 3.25Å; Q68-S72 PolarHBondContact O-N 3.19Å; Q68-S72 PolarHBondContact O-OG 2.67Å; K69-S72 PolarHBondContact O-N 2.91Å; N70-S72 VanDerWaalsContact C-N 3.34Å; N70-S72 PolarHBondContact O-N 3.39Å; S72-K76 WeakPolarHBondContact O-CG 3.26Å; S72-K76 PolarHBondContact O-N 3.45Å
73	R	92.2	Very high	89.6	Confident	125 Å²	125	73.1 Å²	73.1	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-72	-43.8	175.7	-70.7	176	-179.9	-154.6	-4.4	111.5	S57 Y58 K69 N70 W71 Q75 K76 F77	S57-R73 PolarHBondContact O-NH1 3.37Å; Y58-R73 HydrophobicContact CE1-CB 3.76Å; K69-R73 WeakPolarHBondContact O-CG 3.31Å; K69-R73 PolarHBondContact O-N 3.11Å; K69-R73 VanDerWaalsContact O-N 3.17Å; N70-R73 WeakPolarHBondContact O-CB 3.47Å; N70-R73 PolarHBondContact O-N 3.02Å; W71-R73 VanDerWaalsContact C-N 3.25Å; W71-R73 PolarHBondContact O-N 3.32Å; R73-Q75 VanDerWaalsContact C-N 3.34Å; R73-Q75 PolarHBondContact O-N 3.02Å; R73-K76 WeakPolarHBondContact O-CB 3.44Å; R73-K76 PolarHBondContact O-N 3.34Å; R73-F77 PolarHBondContact O-N 3.14Å
74	I	91.8	Very high	89.4	Confident	1 Å²	1	78.9 Å²	78.9	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-59.1	-46.6	176.2	-64.2	163.8	0	0	0	110.2	G38 V41 Y58 N70 W71 K76 F77 L78	G38-I74 VanDerWaalsContact O-CD1 3.26Å; G38-I74 WeakPolarHBondContact O-CD1 3.49Å; V41-I74 HydrophobicContact CB-CD1 4.07Å; V41-I74 HydrophobicContact CG1-CD1 4.08Å; V41-I74 HydrophobicContact CG1-CG2 4.25Å; Y58-I74 HydrophobicContact CE1-CD1 4.34Å; Y58-I74 HydrophobicContact CE1-CG1 3.75Å; N70-I74 WeakPolarHBondContact O-CG1 3.42Å; N70-I74 PolarHBondContact O-N 2.96Å; W71-I74 HydrophobicContact CD2-CD1 4.39Å; W71-I74 HydrophobicContact CE3-CB 4.44Å; W71-I74 HydrophobicContact CE3-CD1 4.1Å; W71-I74 HydrophobicContact CE3-CG2 4.46Å; W71-I74 HydrophobicContact CZ3-CD1 4.4Å; W71-I74 HydrophobicContact CZ3-CG2 4.42Å; W71-I74 PolarHBondContact O-N 3.18Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 2.84Å; I74-F77 WeakPolarHBondContact O-CB 3.49Å; I74-F77 PolarHBondContact O-N 3.02Å; I74-F77 VanDerWaalsContact O-N 3.11Å; I74-L78 HydrophobicContact CG2-CD1 3.82Å; I74-L78 HydrophobicContact CG2-CG 4.15Å; I74-L78 VanDerWaalsContact O-CG 3.31Å; I74-L78 WeakPolarHBondContact O-CG 3.29Å; I74-L78 PolarHBondContact O-N 3.22Å
75	Q	91.3	Very high	89.3	Confident	93 Å²	93	74.8 Å²	74.8	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-39.2	178.1	-74	-179.1	-49.8	0	0	112.9	W71 R73 L78 K79	W71-Q75 WeakPolarHBondContact O-CG 3.35Å; W71-Q75 PolarHBondContact O-N 2.84Å; R73-Q75 VanDerWaalsContact C-N 3.34Å; R73-Q75 PolarHBondContact O-N 3.02Å; Q75-L78 PolarHBondContact O-N 3.35Å; Q75-K79 WeakPolarHBondContact O-CB 3.24Å; Q75-K79 PolarHBondContact O-N 3.07Å
76	K	91.3	Very high	89.2	Confident	156 Å²	156	74.1 Å²	74.1	68%	0.678	35%	0.349	S	S	*	.	H	α-helix	trans	-63.8	-42.4	174.5	-74	174.9	-178.2	-175.2	0	111.7	S72 R73 I74 K80	S72-K76 WeakPolarHBondContact O-CG 3.26Å; S72-K76 PolarHBondContact O-N 3.45Å; R73-K76 WeakPolarHBondContact O-CB 3.44Å; R73-K76 PolarHBondContact O-N 3.34Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 2.84Å; K76-K80 PolarHBondContact O-N 3.02Å
77	F	91.3	Very high	89.1	Confident	15 Å²	15	81.2 Å²	81.2	7%	0.066	38%	0.377	C	S	.	.	H	α-helix	trans	-62.6	-48.7	175.5	163.2	-94.9	0	0	0	111.8	F45 Y49 D52 I53 R73 I74 K79 K80 K81 L83	F45-F77 HydrophobicContact CB-CE1 4.24Å; F45-F77 AromaticContact CD1-CE1 3.83Å; F45-F77 HydrophobicContact CD1-CE1 3.83Å; F45-F77 HydrophobicContact CD1-CZ 4.48Å; F45-F77 HydrophobicContact CE1-CE1 4.37Å; F45-F77 HydrophobicContact CG-CE1 4.03Å; Y49-F77 HydrophobicContact CD2-CE1 4.4Å; Y49-F77 HydrophobicContact CD2-CE2 4.4Å; Y49-F77 AromaticContact CD2-CZ 3.54Å; Y49-F77 HydrophobicContact CD2-CZ 3.54Å; Y49-F77 HydrophobicContact CE2-CZ 4.07Å; Y49-F77 HydrophobicContact CG-CE2 4.2Å; Y49-F77 AromaticContact CG-CZ 3.78Å; Y49-F77 HydrophobicContact CG-CZ 3.78Å; D52-F77 HydrophobicContact CB-CD2 4.02Å; D52-F77 HydrophobicContact CB-CE2 3.63Å; I53-F77 HydrophobicContact CD1-CB 4.47Å; I53-F77 HydrophobicContact CD1-CD1 3.48Å; I53-F77 VanDerWaalsContact CD1-CD1 3.48Å; I53-F77 HydrophobicContact CD1-CD2 3.61Å; I53-F77 HydrophobicContact CD1-CE1 3.43Å; I53-F77 VanDerWaalsContact CD1-CE1 3.43Å; I53-F77 HydrophobicContact CD1-CE2 3.57Å; I53-F77 HydrophobicContact CD1-CG 3.56Å; I53-F77 HydrophobicContact CD1-CZ 3.48Å; I53-F77 VanDerWaalsContact CD1-CZ 3.48Å; I53-F77 HydrophobicContact CG1-CD1 4.31Å; I53-F77 HydrophobicContact CG1-CD2 3.57Å; I53-F77 HydrophobicContact CG1-CE1 4.45Å; I53-F77 HydrophobicContact CG1-CE2 3.75Å; I53-F77 HydrophobicContact CG1-CG 3.87Å; I53-F77 HydrophobicContact CG1-CZ 4.19Å; R73-F77 PolarHBondContact O-N 3.14Å; I74-F77 WeakPolarHBondContact O-CB 3.49Å; I74-F77 PolarHBondContact O-N 3.02Å; I74-F77 VanDerWaalsContact O-N 3.11Å; F77-K79 VanDerWaalsContact C-N 3.3Å; F77-K79 PolarHBondContact O-N 3.48Å; F77-K80 WeakPolarHBondContact O-CA 3.46Å; F77-K80 WeakPolarHBondContact O-CB 3.11Å; F77-K80 PolarHBondContact O-N 3.46Å; F77-K81 HydrophobicContact CD2-CG 4.21Å; F77-K81 HydrophobicContact CE1-CG 4.38Å; F77-K81 HydrophobicContact CE2-CD 4.43Å; F77-K81 HydrophobicContact CE2-CG 3.59Å; F77-K81 HydrophobicContact CZ-CG 3.69Å; F77-K81 PolarHBondContact O-N 3.28Å; F77-L83 HydrophobicContact CE1-CD1 4.35Å
78	L	89.8	Confident	88.9	Confident	9 Å²	9	87 Å²	87	5%	0.047	40%	0.404	C	S	.	.	H	α-helix	trans	-56.7	-46.4	179	-70.7	170.9	0	0	0	110.8	F45 I74 Q75 K80 K81 N82 L83 L85 M111	F45-L78 HydrophobicContact CE1-CD2 4.08Å; F45-L78 HydrophobicContact CE2-CD2 4.22Å; F45-L78 HydrophobicContact CZ-CD2 3.7Å; I74-L78 HydrophobicContact CG2-CD1 3.82Å; I74-L78 HydrophobicContact CG2-CG 4.15Å; I74-L78 VanDerWaalsContact O-CG 3.31Å; I74-L78 WeakPolarHBondContact O-CG 3.29Å; I74-L78 PolarHBondContact O-N 3.22Å; Q75-L78 PolarHBondContact O-N 3.35Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 3.02Å; L78-K81 CarbonylContact O-C 3.53Å; L78-K81 PolarHBondContact O-N 3.06Å; L78-K81 VanDerWaalsContact O-N 3.14Å; L78-N82 PolarHBondContact O-N 3.36Å; L78-N82 VanDerWaalsContact O-N 3.07Å; L78-L83 CarbonylContact C-O 3.47Å; L78-L83 HydrophobicContact CB-CB 4.3Å; L78-L83 HydrophobicContact CD2-CB 3.7Å; L78-L83 HydrophobicContact CD2-CD1 4.06Å; L78-L83 PolarHBondContact O-N 2.88Å; L78-L85 HydrophobicContact CD1-CB 4.29Å; L78-L85 HydrophobicContact CD1-CD1 3.53Å; L78-L85 HydrophobicContact CD1-CG 3.8Å; L78-L85 HydrophobicContact CD2-CD1 4.28Å; L78-L85 HydrophobicContact CD2-CG 4.3Å; L78-M111 HydrophobicContact CD2-CE 4.02Å
79	K	90.1	Very high	88.7	Confident	177 Å²	177	82.3 Å²	82.3	77%	0.77	38%	0.384	S	S	*	.	H	α-helix	trans	-59.9	-40.3	175.4	-170.8	176.2	-178.6	-179.7	0	112.7	Q75 F77 K81 N82	Q75-K79 WeakPolarHBondContact O-CB 3.24Å; Q75-K79 PolarHBondContact O-N 3.07Å; F77-K79 VanDerWaalsContact C-N 3.3Å; F77-K79 PolarHBondContact O-N 3.48Å; K79-K81 VanDerWaalsContact C-N 3.3Å; K79-K81 PolarHBondContact O-N 2.94Å; K79-N82 PolarHBondContact O-N 3.03Å
80	K	89.5	Confident	88.5	Confident	154 Å²	154	76.5 Å²	76.5	67%	0.67	36%	0.359	S	S	*	.	H	α-helix	trans	-63.6	-35.9	177.3	-173.6	-170	174.9	-162.5	0	111.9	D52 K76 F77 L78 N82	D52-K80 IonicContact OD1-NZ 2.77Å; D52-K80 PolarHBondContact OD1-NZ 2.96Å; K76-K80 PolarHBondContact O-N 3.02Å; F77-K80 WeakPolarHBondContact O-CA 3.46Å; F77-K80 WeakPolarHBondContact O-CB 3.11Å; F77-K80 PolarHBondContact O-N 3.46Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 3.02Å; K80-N82 VanDerWaalsContact C-N 3.34Å
81	K	85.9	Confident	88.3	Confident	67 Å²	67	83.4 Å²	83.4	29%	0.291	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	4.8	179.3	-67.4	-64.4	-173.5	174.8	0	114	Y49 D52 F77 L78 K79 L83	Y49-K81 HydrophobicContact CD1-CD 4.36Å; Y49-K81 HydrophobicContact CE1-CD 4.16Å; D52-K81 IonicContact OD1-NZ 3.65Å; D52-K81 WeakPolarHBondContact OD2-CE 3.2Å; D52-K81 IonicContact OD2-NZ 2.68Å; D52-K81 PolarHBondContact OD2-NZ 3.35Å; F77-K81 HydrophobicContact CD2-CG 4.21Å; F77-K81 HydrophobicContact CE1-CG 4.38Å; F77-K81 HydrophobicContact CE2-CD 4.43Å; F77-K81 HydrophobicContact CE2-CG 3.59Å; F77-K81 HydrophobicContact CZ-CG 3.69Å; F77-K81 PolarHBondContact O-N 3.28Å; L78-K81 CarbonylContact O-C 3.53Å; L78-K81 PolarHBondContact O-N 3.06Å; L78-K81 VanDerWaalsContact O-N 3.14Å; K79-K81 VanDerWaalsContact C-N 3.3Å; K79-K81 PolarHBondContact O-N 2.94Å; K81-L83 HydrophobicContact CB-CD1 3.77Å; K81-L83 HydrophobicContact CB-CG 3.72Å; K81-L83 PolarHBondContact O-N 3.21Å
82	N	86.4	Confident	88	Confident	148 Å²	148	83.3 Å²	83.3	79%	0.791	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	33.2	-174.3	-155.2	-120	0	0	0	112.9	L78 K79 K80	L78-N82 PolarHBondContact O-N 3.36Å; L78-N82 VanDerWaalsContact O-N 3.07Å; K79-N82 PolarHBondContact O-N 3.03Å; K80-N82 VanDerWaalsContact C-N 3.34Å
83	L	86.4	Confident	87.8	Confident	11 Å²	11	80.9 Å²	80.9	6%	0.058	37%	0.369	C	S	.	.			trans	-96	133.5	176.6	-63.3	178.8	0	0	0	108.9	F45 Y49 F77 L78 K81 M111	F45-L83 HydrophobicContact CE1-CD1 4.3Å; Y49-L83 HydrophobicContact CE2-CD1 4.4Å; F77-L83 HydrophobicContact CE1-CD1 4.35Å; L78-L83 CarbonylContact C-O 3.47Å; L78-L83 HydrophobicContact CB-CB 4.3Å; L78-L83 HydrophobicContact CD2-CB 3.7Å; L78-L83 HydrophobicContact CD2-CD1 4.06Å; L78-L83 PolarHBondContact O-N 2.88Å; K81-L83 HydrophobicContact CB-CD1 3.77Å; K81-L83 HydrophobicContact CB-CG 3.72Å; K81-L83 PolarHBondContact O-N 3.21Å; L83-M111 HydrophobicContact CB-CE 4.04Å; L83-M111 HydrophobicContact CB-SD 3.62Å; L83-M111 HydrophobicContact CD1-CE 3.91Å; L83-M111 HydrophobicContact CD1-SD 4.36Å; L83-M111 HydrophobicContact CD2-CE 4.36Å; L83-M111 HydrophobicContact CD2-CG 3.85Å; L83-M111 HydrophobicContact CD2-SD 3.81Å; L83-M111 HydrophobicContact CG-CE 4.31Å; L83-M111 HydrophobicContact CG-SD 4.1Å
84	E	83.1	Confident	87.6	Confident	181 Å²	181	76 Å²	76	85%	0.846	35%	0.352	S	S	*	.			trans	-119.1	116.5	179.5	-66.4	-162.7	110.2	0	0	110.4
85	L	84.9	Confident	87.4	Confident	21 Å²	21	79.8 Å²	79.8	11%	0.11	37%	0.37	C	S	.	.			trans	-101.2	147.3	167.7	-65.2	-177.8	0	0	0	109.4	F45 L78 K87 V90 L104 D107 I108 M111	F45-L85 HydrophobicContact CZ-CD1 4.46Å; L78-L85 HydrophobicContact CD1-CB 4.29Å; L78-L85 HydrophobicContact CD1-CD1 3.53Å; L78-L85 HydrophobicContact CD1-CG 3.8Å; L78-L85 HydrophobicContact CD2-CD1 4.28Å; L78-L85 HydrophobicContact CD2-CG 4.3Å; L85-K87 PolarHBondContact O-N 2.96Å; L85-K87 VanDerWaalsContact O-N 3.14Å; L85-V90 HydrophobicContact CB-CG2 4.11Å; L85-V90 HydrophobicContact CD1-CG2 4.5Å; L85-L104 HydrophobicContact CD1-CD1 4.03Å; L85-D107 HydrophobicContact CD2-CB 4.13Å; L85-I108 HydrophobicContact CD1-CD1 4.46Å; L85-I108 HydrophobicContact CD1-CG1 4.04Å; L85-I108 HydrophobicContact CD2-CG1 3.93Å; L85-M111 HydrophobicContact CD2-CE 3.8Å; L85-M111 HydrophobicContact CD2-SD 3.98Å; L85-M111 HydrophobicContact CG-CE 4.35Å
86	S	85.6	Confident	87	Confident	47 Å²	47	77.3 Å²	77.3	33%	0.329	36%	0.362	S	S	.	.			trans	-58.7	120.3	175.2	179	0	0	0	0	110.6	E88 A89 V90	S86-E88 PolarHBondContact O-N 3.41Å; S86-A89 PolarHBondContact O-N 2.92Å; S86-A89 VanDerWaalsContact O-N 3.13Å; S86-V90 WeakPolarHBondContact O-CG2 3.23Å; S86-V90 PolarHBondContact O-N 2.69Å
87	K	84.8	Confident	86.8	Confident	169 Å²	169	75 Å²	75	74%	0.735	35%	0.354	S	S	*	.	H	α-helix	trans	-60.3	-33.4	178.9	-66.2	177.6	-175.2	170.7	0	111.4	L85 Y91	L85-K87 PolarHBondContact O-N 2.96Å; L85-K87 VanDerWaalsContact O-N 3.14Å; K87-Y91 VanDerWaalsContact O-CB 3.29Å; K87-Y91 WeakPolarHBondContact O-CB 3.3Å; K87-Y91 PolarHBondContact O-N 2.98Å
88	E	86	Confident	86.3	Confident	156 Å²	156	79.1 Å²	79.1	73%	0.729	38%	0.382	S	S	*	.	H	α-helix	trans	-65.9	-46.3	175.7	-66.6	177.3	100.6	0	0	110.9	S86 V90 Y91 G92	S86-E88 PolarHBondContact O-N 3.41Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 3.5Å; E88-Y91 PolarHBondContact O-N 3.29Å; E88-G92 PolarHBondContact O-N 3.24Å
89	A	85.2	Confident	85.9	Confident	9 Å²	9	79.7 Å²	79.7	7%	0.074	39%	0.39	C	S	.	.	H	α-helix	trans	-63.5	-40.3	177.3	0	0	0	0	0	111.9	S86 S93 L104	S86-A89 PolarHBondContact O-N 2.92Å; S86-A89 VanDerWaalsContact O-N 3.13Å; A89-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 PolarHBondContact O-N 2.99Å; A89-S93 PolarHBondContact O-OG 2.95Å; A89-L104 HydrophobicContact CB-CB 4.23Å; A89-L104 HydrophobicContact CB-CD1 4.43Å
90	V	87.2	Confident	85.8	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-50	175.5	171.2	0	0	0	0	111.1	W71 L85 S86 E88 S93 I94 L104	W71-V90 HydrophobicContact CD2-CG1 4.01Å; W71-V90 HydrophobicContact CE3-CG1 3.47Å; W71-V90 VanDerWaalsContact CE3-CG1 3.47Å; W71-V90 HydrophobicContact CH2-CG1 4.26Å; W71-V90 HydrophobicContact CH2-CG2 4.44Å; W71-V90 HydrophobicContact CZ3-CB 4.26Å; W71-V90 HydrophobicContact CZ3-CG1 3.62Å; W71-V90 HydrophobicContact CZ3-CG2 3.89Å; L85-V90 HydrophobicContact CB-CG2 4.11Å; L85-V90 HydrophobicContact CD1-CG2 4.5Å; S86-V90 WeakPolarHBondContact O-CG2 3.23Å; S86-V90 PolarHBondContact O-N 2.69Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 3.5Å; V90-S93 WeakPolarHBondContact O-CB 3.36Å; V90-S93 PolarHBondContact O-N 3.08Å; V90-I94 HydrophobicContact CG1-CD1 4.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.22Å; V90-I94 PolarHBondContact O-N 2.97Å; V90-L104 HydrophobicContact CG2-CD1 3.85Å
91	Y	87.4	Confident	85.7	Confident	151 Å²	151	64.5 Å²	64.5	59%	0.592	33%	0.326	S	S	*	.	H	α-helix	trans	-66.2	-43.2	-178.3	-170.7	-94.6	0	0	0	111.9	K87 E88 S93 I94 H95	K87-Y91 VanDerWaalsContact O-CB 3.29Å; K87-Y91 WeakPolarHBondContact O-CB 3.3Å; K87-Y91 PolarHBondContact O-N 2.98Å; E88-Y91 PolarHBondContact O-N 3.29Å; Y91-S93 VanDerWaalsContact C-N 3.31Å; Y91-S93 PolarHBondContact O-N 2.89Å; Y91-I94 WeakPolarHBondContact O-CB 3.49Å; Y91-I94 PolarHBondContact O-N 2.92Å; Y91-H95 AromaticContact CD1-CE1 3.91Å; Y91-H95 AromaticContact CD1-ND1 3.69Å; Y91-H95 AromaticContact CE1-CE1 3.38Å; Y91-H95 WeakPolarHBondContact CE1-CE1 3.47Å; Y91-H95 AromaticContact CE1-ND1 3.52Å; Y91-H95 AromaticContact CE2-CE1 3.49Å; Y91-H95 VanDerWaalsContact CE2-CE1 3.49Å; Y91-H95 WeakPolarHBondContact CE2-CE1 3.35Å; Y91-H95 AromaticContact CZ-CE1 3.15Å; Y91-H95 AromaticContact CZ-ND1 3.79Å; Y91-H95 AromaticContact CZ-NE2 3.93Å; Y91-H95 PolarHBondContact O-N 3.46Å; Y91-H95 PolarHBondContact O-ND1 2.94Å; Y91-H95 PolarHBondContact OH-CE1 2.91Å
92	G	86.6	Confident	85.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-39.2	173.5	0	0	0	0	0	111.8	E88 I94 H95 C96 E97 A100	E88-G92 PolarHBondContact O-N 3.24Å; G92-I94 PolarHBondContact O-N 3.35Å; G92-H95 CarbonylContact O-C 3.47Å; G92-H95 PolarHBondContact O-N 3.32Å; G92-C96 PolarHBondContact O-N 3.06Å; G92-E97 WeakPolarHBondContact O-CB 3.41Å; G92-E97 PolarHBondContact O-N 3.25Å; G92-A100 VanDerWaalsContact C-CB 3.48Å
93	S	87.7	Confident	85.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-39.8	175.7	-65.9	0	0	0	0	112.6	S36 A89 V90 Y91 H95 C96 A100 A101 L104	S36-S93 VanDerWaalsContact CA-O 3.3Å; S36-S93 WeakPolarHBondContact CA-O 3.42Å; S36-S93 WeakPolarHBondContact CB-O 3.25Å; S36-S93 PolarHBondContact OG-O 3.48Å; A89-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 PolarHBondContact O-N 2.99Å; A89-S93 PolarHBondContact O-OG 2.95Å; V90-S93 WeakPolarHBondContact O-CB 3.36Å; V90-S93 PolarHBondContact O-N 3.08Å; Y91-S93 VanDerWaalsContact C-N 3.31Å; Y91-S93 PolarHBondContact O-N 2.89Å; S93-H95 VanDerWaalsContact C-N 3.27Å; S93-H95 PolarHBondContact O-N 2.95Å; S93-C96 PolarHBondContact O-N 3.38Å; S93-C96 VanDerWaalsContact O-N 3.09Å; S93-A100 PolarHBondContact OG-O 3.28Å; S93-A101 WeakPolarHBondContact OG-CA 3.46Å; S93-A101 PolarHBondContact OG-N 2.8Å; S93-L104 WeakPolarHBondContact OG-CD2 3.18Å
94	I	87.9	Confident	86.1	Confident	22 Å²	22	57.1 Å²	57.1	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-43.6	174.6	-68.4	165.8	0	0	0	110.5	S36 F64 W71 V90 Y91 G92 C96	S36-I94 PolarHBondContact OG-O 2.63Å; F64-I94 HydrophobicContact CD2-CG2 4.47Å; F64-I94 HydrophobicContact CE2-CG2 3.78Å; F64-I94 HydrophobicContact CZ-CG2 4.45Å; W71-I94 HydrophobicContact CB-CD1 4.06Å; W71-I94 HydrophobicContact CD2-CD1 4.27Å; W71-I94 HydrophobicContact CD2-CG1 4.14Å; W71-I94 HydrophobicContact CG-CD1 3.75Å; W71-I94 HydrophobicContact CG-CG1 3.8Å; V90-I94 HydrophobicContact CG1-CD1 4.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.22Å; V90-I94 PolarHBondContact O-N 2.97Å; Y91-I94 WeakPolarHBondContact O-CB 3.49Å; Y91-I94 PolarHBondContact O-N 2.92Å; G92-I94 PolarHBondContact O-N 3.35Å; I94-C96 PolarHBondContact O-N 3.02Å
95	H	86	Confident	86.3	Confident	82 Å²	82	48.5 Å²	48.5	38%	0.38	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	4.6	179.8	-64.8	85.1	0	0	0	113.9	Y91 G92 S93 E97	Y91-H95 AromaticContact CD1-CE1 3.91Å; Y91-H95 AromaticContact CD1-ND1 3.69Å; Y91-H95 AromaticContact CE1-CE1 3.38Å; Y91-H95 WeakPolarHBondContact CE1-CE1 3.47Å; Y91-H95 AromaticContact CE1-ND1 3.52Å; Y91-H95 AromaticContact CE2-CE1 3.49Å; Y91-H95 VanDerWaalsContact CE2-CE1 3.49Å; Y91-H95 WeakPolarHBondContact CE2-CE1 3.35Å; Y91-H95 AromaticContact CZ-CE1 3.15Å; Y91-H95 AromaticContact CZ-ND1 3.79Å; Y91-H95 AromaticContact CZ-NE2 3.93Å; Y91-H95 PolarHBondContact O-N 3.46Å; Y91-H95 PolarHBondContact O-ND1 2.94Å; Y91-H95 PolarHBondContact OH-CE1 2.91Å; G92-H95 CarbonylContact O-C 3.47Å; G92-H95 PolarHBondContact O-N 3.32Å; S93-H95 VanDerWaalsContact C-N 3.27Å; S93-H95 PolarHBondContact O-N 2.95Å; H95-E97 HydrophobicContact CB-CG 4.13Å; H95-E97 PolarHBondContact O-N 3.33Å
96	C	84.4	Confident	86.5	Confident	41 Å²	41	49.6 Å²	49.6	28%	0.277	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	33.1	-176.3	-56.6	0	0	0	0	112.8	R32 S36 G92 S93 I94	R32-C96 PolarHBondContact NE-O 3.2Å; R32-C96 PolarHBondContact NH2-O 3.37Å; S36-C96 VanDerWaalsContact CB-SG 3.5Å; S36-C96 PolarHBondContact OG-SG 2.89Å; S36-C96 VanDerWaalsContact OG-SG 3.33Å; G92-C96 PolarHBondContact O-N 3.06Å; S93-C96 PolarHBondContact O-N 3.38Å; S93-C96 VanDerWaalsContact O-N 3.09Å; I94-C96 PolarHBondContact O-N 3.02Å
97	E	85.8	Confident	86.6	Confident	107 Å²	107	50.2 Å²	50.2	50%	0.5	26%	0.256	S	S	.	.			trans	-62.8	143.2	177.8	-69.1	-159.5	142.9	0	0	111.4	G92 H95 G99 A100	G92-E97 WeakPolarHBondContact O-CB 3.41Å; G92-E97 PolarHBondContact O-N 3.25Å; H95-E97 HydrophobicContact CB-CG 4.13Å; H95-E97 PolarHBondContact O-N 3.33Å; E97-G99 PolarHBondContact O-N 3.17Å; E97-A100 HydrophobicContact CB-CB 3.97Å; E97-A100 PolarHBondContact O-N 3.42Å
98	P	81.1	Confident	86.9	Confident	101 Å²	101	42.1 Å²	42.1	66%	0.656	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	132.4	178.5	27.2	-31.4	0	0	0	110.4	R32 A100	R32-P98 VanDerWaalsContact CZ-CA 3.43Å; R32-P98 VanDerWaalsContact NH2-N 3.12Å; P98-A100 PolarHBondContact O-N 2.91Å
99	G	82.3	Confident	87	Confident	21 Å²	21	36.5 Å²	36.5	22%	0.216	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-18.7	-179.8	0	0	0	0	0	114.5	E97 E102 A103	E97-G99 PolarHBondContact O-N 3.17Å; G99-E102 VanDerWaalsContact C-OE2 3.28Å; G99-E102 WeakPolarHBondContact CA-OE2 3.33Å; G99-E102 PolarHBondContact N-OE2 2.72Å; G99-A103 VanDerWaalsContact O-CB 3.29Å; G99-A103 WeakPolarHBondContact O-CB 3.48Å; G99-A103 PolarHBondContact O-N 3.4Å
100	A	88.1	Confident	87.1	Confident	12 Å²	12	41.7 Å²	41.7	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-71.7	-41	-180	0	0	0	0	0	112.3	G92 S93 E97 P98 L104	G92-A100 VanDerWaalsContact C-CB 3.48Å; S93-A100 PolarHBondContact OG-O 3.28Å; E97-A100 HydrophobicContact CB-CB 3.97Å; E97-A100 PolarHBondContact O-N 3.42Å; P98-A100 PolarHBondContact O-N 2.91Å; A100-L104 VanDerWaalsContact O-CB 3.23Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 PolarHBondContact O-N 3.17Å
101	A	87.4	Confident	87.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-36	178.4	0	0	0	0	0	111.6	R32 L35 S93 V105	R32-A101 HydrophobicContact CB-CB 4.36Å; R32-A101 HydrophobicContact CG-CB 3.95Å; L35-A101 HydrophobicContact CB-CB 4.47Å; L35-A101 HydrophobicContact CD1-CB 4.05Å; S93-A101 WeakPolarHBondContact OG-CA 3.46Å; S93-A101 PolarHBondContact OG-N 2.8Å; A101-V105 PolarHBondContact O-N 3.43Å
102	E	88.1	Confident	87.1	Confident	43 Å²	43	35.6 Å²	35.6	20%	0.201	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-45.3	175.4	-61.5	91.9	146.5	0	0	111.4	V11 G99 V105 Q106	V11-E102 HydrophobicContact CG2-CB 3.8Å; V11-E102 HydrophobicContact CG2-CG 3.64Å; G99-E102 VanDerWaalsContact C-OE2 3.28Å; G99-E102 WeakPolarHBondContact CA-OE2 3.33Å; G99-E102 PolarHBondContact N-OE2 2.72Å; E102-V105 VanDerWaalsContact O-CG1 3.26Å; E102-V105 WeakPolarHBondContact O-CG1 3.36Å; E102-V105 PolarHBondContact O-N 3.32Å; E102-Q106 WeakPolarHBondContact O-CG 3.34Å; E102-Q106 PolarHBondContact O-N 2.84Å; E102-Q106 VanDerWaalsContact O-N 3.17Å
103	A	87.5	Confident	86.9	Confident	29 Å²	29	38 Å²	38	24%	0.24	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-45.1	173.8	0	0	0	0	0	111.3	G99 V105 Q106 D107	G99-A103 VanDerWaalsContact O-CB 3.29Å; G99-A103 WeakPolarHBondContact O-CB 3.48Å; G99-A103 PolarHBondContact O-N 3.4Å; A103-V105 PolarHBondContact O-N 3.48Å; A103-Q106 WeakPolarHBondContact O-CB 3.46Å; A103-Q106 PolarHBondContact O-N 3.09Å; A103-D107 PolarHBondContact O-N 3.07Å
104	L	89.9	Confident	86.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57	-46.5	178.1	177.5	75.8	0	0	0	111.9	V41 W71 L85 A89 V90 S93 A100 Q106 D107 I108	V41-L104 HydrophobicContact CG2-CD2 4.34Å; W71-L104 HydrophobicContact CH2-CD1 4.32Å; W71-L104 HydrophobicContact CH2-CD2 3.57Å; W71-L104 HydrophobicContact CZ2-CD2 4.14Å; L85-L104 HydrophobicContact CD1-CD1 4.03Å; A89-L104 HydrophobicContact CB-CB 4.23Å; A89-L104 HydrophobicContact CB-CD1 4.43Å; V90-L104 HydrophobicContact CG2-CD1 3.85Å; S93-L104 WeakPolarHBondContact OG-CD2 3.18Å; A100-L104 VanDerWaalsContact O-CB 3.23Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 PolarHBondContact O-N 3.17Å; L104-Q106 VanDerWaalsContact C-N 3.33Å; L104-Q106 PolarHBondContact O-N 3.36Å; L104-D107 PolarHBondContact O-N 3.37Å; L104-I108 HydrophobicContact CD1-CD1 4.3Å; L104-I108 HydrophobicContact CD2-CD1 4.45Å; L104-I108 HydrophobicContact CG-CD1 3.94Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 3.27Å
105	V	88.9	Confident	84.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.7	-33.2	-178.4	73.4	0	0	0	0	112.2	V11 V15 W18 L19 L35 A101 E102 A103 I108 Y109	V11-V105 HydrophobicContact CG1-CG1 4.01Å; V11-V105 HydrophobicContact CG2-CG1 3.97Å; V15-V105 HydrophobicContact CG1-CG1 4.08Å; V15-V105 HydrophobicContact CG1-CG2 3.95Å; W18-V105 HydrophobicContact CZ3-CG2 4.13Å; L19-V105 HydrophobicContact CD1-CG2 3.98Å; L19-V105 HydrophobicContact CD2-CG2 4.17Å; L19-V105 HydrophobicContact CG-CG2 4.38Å; L35-V105 HydrophobicContact CD1-CB 4.19Å; A101-V105 PolarHBondContact O-N 3.43Å; E102-V105 VanDerWaalsContact O-CG1 3.26Å; E102-V105 WeakPolarHBondContact O-CG1 3.36Å; E102-V105 PolarHBondContact O-N 3.32Å; A103-V105 PolarHBondContact O-N 3.48Å; V105-I108 PolarHBondContact O-N 3.33Å; V105-Y109 WeakPolarHBondContact O-CB 3.44Å; V105-Y109 PolarHBondContact O-N 3.4Å
106	Q	88.6	Confident	83.1	Confident	44 Å²	44	48.2 Å²	48.2	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-41.7	171.7	-75.6	176	-12.1	0	0	111.9	D12 V15 E102 A103 L104 Y109 K110	D12-Q106 PolarHBondContact OD2-NE2 2.65Å; V15-Q106 HydrophobicContact CG2-CG 4.33Å; E102-Q106 WeakPolarHBondContact O-CG 3.34Å; E102-Q106 PolarHBondContact O-N 2.84Å; E102-Q106 VanDerWaalsContact O-N 3.17Å; A103-Q106 WeakPolarHBondContact O-CB 3.46Å; A103-Q106 PolarHBondContact O-N 3.09Å; L104-Q106 VanDerWaalsContact C-N 3.33Å; L104-Q106 PolarHBondContact O-N 3.36Å; Q106-Y109 PolarHBondContact O-N 3.02Å; Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 2.81Å
107	D	88.7	Confident	81.6	Confident	59 Å²	59	52.3 Å²	52.3	32%	0.316	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-46.6	174.7	-89.1	-51	0	0	0	111.2	L85 A103 L104 Y109 K110 M111	L85-D107 HydrophobicContact CD2-CB 4.13Å; A103-D107 PolarHBondContact O-N 3.07Å; L104-D107 PolarHBondContact O-N 3.37Å; D107-Y109 VanDerWaalsContact C-N 3.34Å; D107-Y109 PolarHBondContact O-N 2.89Å; D107-K110 PolarHBondContact O-N 3.44Å; D107-M111 WeakPolarHBondContact O-CB 3.48Å; D107-M111 PolarHBondContact O-N 3.36Å
108	I	90	Very high	79.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-45.5	176.9	-65.8	165.8	0	0	0	110.5	W18 V41 I44 F45 L85 L104 V105 M111 L112	W18-I108 HydrophobicContact CH2-CG2 3.94Å; V41-I108 HydrophobicContact CG1-CD1 3.98Å; V41-I108 HydrophobicContact CG2-CD1 4.48Å; I44-I108 HydrophobicContact CG2-CG2 4.11Å; F45-I108 HydrophobicContact CE2-CD1 4.39Å; F45-I108 HydrophobicContact CE2-CG1 4.38Å; F45-I108 HydrophobicContact CE2-CG2 4.44Å; F45-I108 HydrophobicContact CZ-CG1 4.18Å; F45-I108 HydrophobicContact CZ-CG2 4.05Å; L85-I108 HydrophobicContact CD1-CD1 4.46Å; L85-I108 HydrophobicContact CD1-CG1 4.04Å; L85-I108 HydrophobicContact CD2-CG1 3.93Å; L104-I108 HydrophobicContact CD1-CD1 4.3Å; L104-I108 HydrophobicContact CD2-CD1 4.45Å; L104-I108 HydrophobicContact CG-CD1 3.94Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 3.27Å; V105-I108 PolarHBondContact O-N 3.33Å; I108-M111 PolarHBondContact O-N 3.24Å; I108-L112 HydrophobicContact CG2-CD1 3.5Å; I108-L112 HydrophobicContact CG2-CG 4.25Å; I108-L112 WeakPolarHBondContact O-CB 3.29Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.3Å; I108-L112 PolarHBondContact O-N 3.21Å
109	Y	89	Confident	77.6	Confident	38 Å²	38	54.1 Å²	54.1	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-50.6	178.5	173.2	-111	0	0	0	112.2	E14 V15 W18 V105 Q106 D107 M111 L112 T113	E14-Y109 WeakPolarHBondContact CG-OH 3.49Å; E14-Y109 WeakPolarHBondContact OE1-CE1 3.44Å; E14-Y109 PolarHBondContact OE1-OH 3.47Å; V15-Y109 HydrophobicContact CG2-CD1 3.64Å; V15-Y109 HydrophobicContact CG2-CE1 4.23Å; V15-Y109 HydrophobicContact CG2-CG 3.81Å; W18-Y109 HydrophobicContact CB-CD2 4Å; W18-Y109 HydrophobicContact CB-CE2 3.79Å; W18-Y109 AromaticContact CD1-CE2 3.96Å; W18-Y109 AromaticContact CD2-CD2 3.45Å; W18-Y109 HydrophobicContact CD2-CD2 3.45Å; W18-Y109 VanDerWaalsContact CD2-CD2 3.45Å; W18-Y109 HydrophobicContact CD2-CE2 4.07Å; W18-Y109 HydrophobicContact CD2-CG 4.45Å; W18-Y109 AromaticContact CE2-CD2 3.89Å; W18-Y109 AromaticContact CE3-CD2 3.75Å; W18-Y109 HydrophobicContact CE3-CD2 3.75Å; W18-Y109 HydrophobicContact CE3-CG 4.36Å; W18-Y109 AromaticContact CG-CD2 3.55Å; W18-Y109 HydrophobicContact CG-CD2 3.55Å; W18-Y109 AromaticContact CG-CE2 3.64Å; W18-Y109 HydrophobicContact CG-CE2 3.64Å; W18-Y109 HydrophobicContact CZ3-CD2 4.4Å; V105-Y109 WeakPolarHBondContact O-CB 3.44Å; V105-Y109 PolarHBondContact O-N 3.4Å; Q106-Y109 PolarHBondContact O-N 3.02Å; D107-Y109 VanDerWaalsContact C-N 3.34Å; D107-Y109 PolarHBondContact O-N 2.89Å; Y109-M111 VanDerWaalsContact C-N 3.34Å; Y109-M111 PolarHBondContact O-N 2.9Å; Y109-L112 PolarHBondContact O-N 3.45Å; Y109-T113 WeakPolarHBondContact CD2-OG1 3.26Å; Y109-T113 WeakPolarHBondContact CE2-OG1 3.28Å; Y109-T113 WeakPolarHBondContact O-CB 3.35Å; Y109-T113 PolarHBondContact O-N 3.27Å; Y109-T113 PolarHBondContact O-OG1 2.83Å
110	K	87.4	Confident	75.9	Confident	117 Å²	117	59.2 Å²	59.2	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-48.2	178	-70.7	170.7	-174.9	173	0	110.6	Q106 D107 L112 T113 N114	Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 2.81Å; D107-K110 PolarHBondContact O-N 3.44Å; K110-L112 PolarHBondContact O-N 3.26Å; K110-T113 PolarHBondContact O-N 3.02Å; K110-N114 VanDerWaalsContact O-CB 3.24Å; K110-N114 WeakPolarHBondContact O-CB 3.39Å; K110-N114 PolarHBondContact O-N 2.91Å; K110-N114 PolarHBondContact O-OD1 2.99Å
111	M	87.1	Confident	73.8	Confident	29 Å²	29	68 Å²	68	14%	0.143	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-42.9	-177.2	-169.8	176.1	69.3	0	0	112.6	F45 L78 L83 L85 D107 I108 Y109 Q115	F45-M111 HydrophobicContact CE1-CE 3.54Å; F45-M111 HydrophobicContact CZ-CE 3.54Å; L78-M111 HydrophobicContact CD2-CE 4.02Å; L83-M111 HydrophobicContact CB-CE 4.04Å; L83-M111 HydrophobicContact CB-SD 3.62Å; L83-M111 HydrophobicContact CD1-CE 3.91Å; L83-M111 HydrophobicContact CD1-SD 4.36Å; L83-M111 HydrophobicContact CD2-CE 4.36Å; L83-M111 HydrophobicContact CD2-CG 3.85Å; L83-M111 HydrophobicContact CD2-SD 3.81Å; L83-M111 HydrophobicContact CG-CE 4.31Å; L83-M111 HydrophobicContact CG-SD 4.1Å; L85-M111 HydrophobicContact CD2-CE 3.8Å; L85-M111 HydrophobicContact CD2-SD 3.98Å; L85-M111 HydrophobicContact CG-CE 4.35Å; D107-M111 WeakPolarHBondContact O-CB 3.48Å; D107-M111 PolarHBondContact O-N 3.36Å; I108-M111 PolarHBondContact O-N 3.24Å; Y109-M111 VanDerWaalsContact C-N 3.34Å; Y109-M111 PolarHBondContact O-N 2.9Å; M111-Q115 WeakPolarHBondContact O-CB 3.37Å; M111-Q115 WeakPolarHBondContact O-CG 3.48Å; M111-Q115 PolarHBondContact O-N 3.13Å
112	L	85.6	Confident	71.8	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-76.8	-38.1	180	-66.2	171.9	0	0	0	112.4	W18 I44 F45 Y48 Y49 I108 Y109 K110 Q115 N116	W18-L112 HydrophobicContact CH2-CD1 4.21Å; W18-L112 HydrophobicContact CZ2-CD1 3.83Å; I44-L112 HydrophobicContact CG2-CD1 3.93Å; F45-L112 HydrophobicContact CD1-CD1 4.4Å; F45-L112 HydrophobicContact CD1-CD2 4.04Å; F45-L112 HydrophobicContact CE1-CD1 4.26Å; F45-L112 HydrophobicContact CE1-CD2 3.91Å; F45-L112 HydrophobicContact CE1-CG 4.3Å; Y48-L112 HydrophobicContact CD1-CD2 4.29Å; Y48-L112 HydrophobicContact CD2-CD1 3.73Å; Y48-L112 HydrophobicContact CD2-CD2 4.06Å; Y48-L112 HydrophobicContact CD2-CG 4.36Å; Y48-L112 HydrophobicContact CE1-CB 4.19Å; Y48-L112 HydrophobicContact CE2-CB 4.29Å; Y48-L112 HydrophobicContact CE2-CD1 3.62Å; Y48-L112 HydrophobicContact CE2-CG 4.36Å; Y48-L112 HydrophobicContact CG-CD1 4.42Å; Y48-L112 HydrophobicContact CG-CD2 3.93Å; Y49-L112 HydrophobicContact CE2-CD2 4.1Å; I108-L112 HydrophobicContact CG2-CD1 3.5Å; I108-L112 HydrophobicContact CG2-CG 4.25Å; I108-L112 WeakPolarHBondContact O-CB 3.29Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.3Å; I108-L112 PolarHBondContact O-N 3.21Å; Y109-L112 PolarHBondContact O-N 3.45Å; K110-L112 PolarHBondContact O-N 3.26Å; L112-Q115 PolarHBondContact O-N 3.28Å; L112-N116 WeakPolarHBondContact O-CB 3.49Å; L112-N116 PolarHBondContact O-N 2.91Å
113	T	82.9	Confident	69.4	Low	50 Å²	50	76.3 Å²	76.3	31%	0.307	42%	0.418	S	S	.	.	H	α-helix	trans	-70.8	-41.4	179.6	-54.5	0	0	0	0	111.6	Y109 K110 Q115 N116	Y109-T113 WeakPolarHBondContact CD2-OG1 3.26Å; Y109-T113 WeakPolarHBondContact CE2-OG1 3.28Å; Y109-T113 WeakPolarHBondContact O-CB 3.35Å; Y109-T113 PolarHBondContact O-N 3.27Å; Y109-T113 PolarHBondContact O-OG1 2.83Å; K110-T113 PolarHBondContact O-N 3.02Å; T113-Q115 VanDerWaalsContact C-N 3.28Å; T113-Q115 PolarHBondContact O-N 3.14Å; T113-N116 PolarHBondContact O-N 3.24Å
114	N	73.8	Confident	67.2	Low	122 Å²	122	84 Å²	84	65%	0.652	45%	0.448	S	S	*	.	H	α-helix	trans	-66.9	-28.4	175.9	-76.8	103.5	0	0	0	112.8	K110	K110-N114 VanDerWaalsContact O-CB 3.24Å; K110-N114 WeakPolarHBondContact O-CB 3.39Å; K110-N114 PolarHBondContact O-N 2.91Å; K110-N114 PolarHBondContact O-OD1 2.99Å
115	Q	57.8	Low	64.6	Low	97 Å²	97	87 Å²	87	45%	0.453	47%	0.469	S	S	.	.	H	α-helix	trans	-78.3	-31.3	175	-79.5	-99.1	-23.2	0	0	113.3	M111 L112 T113 V117 T118	M111-Q115 WeakPolarHBondContact O-CB 3.37Å; M111-Q115 WeakPolarHBondContact O-CG 3.48Å; M111-Q115 PolarHBondContact O-N 3.13Å; L112-Q115 PolarHBondContact O-N 3.28Å; T113-Q115 VanDerWaalsContact C-N 3.28Å; T113-Q115 PolarHBondContact O-N 3.14Å; Q115-V117 VanDerWaalsContact C-N 3.29Å; Q115-V117 PolarHBondContact O-N 3.43Å; Q115-T118 PolarHBondContact O-N 3Å; Q115-T118 PolarHBondContact O-OG1 3.45Å
116	N	50.1	Low	62.4	Low	101 Å²	101	93 Å²	93	54%	0.54	51%	0.508	S	S	.	.	H	α-helix	trans	-74.9	-14.8	-176.5	-170.5	-115.1	0	0	0	114	L112 T113 T118	L112-N116 WeakPolarHBondContact O-CB 3.49Å; L112-N116 PolarHBondContact O-N 2.91Å; T113-N116 PolarHBondContact O-N 3.24Å; N116-T118 PolarHBondContact O-N 3.05Å
117	V	52.7	Low	60.1	Low	126 Å²	126	98 Å²	98	76%	0.764	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.8	174.3	-176.8	0	0	0	0	112	Q115	Q115-V117 VanDerWaalsContact C-N 3.29Å; Q115-V117 PolarHBondContact O-N 3.43Å
118	T	43	Very low	58.4	Low	117 Å²	117	100.6 Å²	100.6	72%	0.718	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-3.2	-177.7	45.7	0	0	0	0	116.3	Q115 N116	Q115-T118 PolarHBondContact O-N 3Å; Q115-T118 PolarHBondContact O-OG1 3.45Å; N116-T118 PolarHBondContact O-N 3.05Å
119	D	39.9	Very low	56.1	Low	129 Å²	129	105.7 Å²	105.7	69%	0.69	59%	0.59	S	S	*	*			trans	-136.3	103	178.5	-151	-117.6	0	0	0	110.9
120	V	47.8	Very low	54.4	Low	128 Å²	128	112.5 Å²	112.5	78%	0.776	63%	0.628	S	S	*	*			trans	-69	140.8	177.9	-78	0	0	0	0	111.4
121	E	44.3	Very low	52.3	Low	198 Å²	198	113.4 Å²	113.4	93%	0.925	64%	0.643	S	S	*	*			trans	81.1	119.8	144.7	-147.6	159.7	98.2	0	0	119.2
122	G	43.8	Very low	50.2	Low	64 Å²	64	122.8 Å²	122.8	66%	0.66	68%	0.677	S	S	*	*			trans	114.8	57.5	140.5	0	0	0	0	0	118.4
123	Q	38.3	Very low	48	Very low	153 Å²	153	126.7 Å²	126.7	72%	0.715	71%	0.705	S	S	*	*			trans	-133.5	85.1	146.3	-69.7	-159.5	-97.2	0	0	110.2	S125	Q123-S125 PolarHBondContact O-N 3.03Å
124	Q	41.3	Very low	46.3	Very low	189 Å²	189	130.2 Å²	130.2	88%	0.883	73%	0.727	S	S	*	*			trans	-62	118.1	163.2	-64.1	178.3	-62.1	0	0	108.5
125	S	34.8	Very low	44.4	Very low	63 Å²	63	129.5 Å²	129.5	44%	0.441	73%	0.731	S	S	.	*			trans	-59.9	126.1	165.6	-56.2	0	0	0	0	109.2	E23 Q123 H127	E23-S125 VanDerWaalsContact OE2-CB 3.26Å; E23-S125 WeakPolarHBondContact OE2-CB 3.38Å; E23-S125 PolarHBondContact OE2-OG 3.23Å; Q123-S125 PolarHBondContact O-N 3.03Å; S125-H127 VanDerWaalsContact C-N 3.28Å; S125-H127 PolarHBondContact O-N 2.76Å
126	P	43.1	Very low	43.5	Very low	126 Å²	126	129.8 Å²	129.8	82%	0.818	74%	0.744	S	S	*	*			trans	-77.8	84.5	175.9	31.2	-31	0	0	0	108.3	S128	P126-S128 PolarHBondContact O-N 3.31Å
127	H	40.6	Very low	43	Very low	150 Å²	150	135.8 Å²	135.8	69%	0.694	76%	0.759	S	S	*	*			trans	-63.4	106.9	162.8	-106.9	-119.7	0	0	0	107.9	S125 S129	S125-H127 VanDerWaalsContact C-N 3.28Å; S125-H127 PolarHBondContact O-N 2.76Å; H127-S129 PolarHBondContact O-N 3.03Å
128	S	52.6	Low	42.7	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	76%	0.757	S	S	*	*			trans	-57.5	104.7	176	22	0	0	0	0	109.4	P126	P126-S128 PolarHBondContact O-N 3.31Å
129	S	42.5	Very low	42.5	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	77%	0.767	S	S	*	*			trans	-123.5	82.7	168.5	-59.6	0	0	0	0	108.4	H127 T131	H127-S129 PolarHBondContact O-N 3.03Å; S129-T131 PolarHBondContact O-N 3.43Å
130	L	52.3	Low	42.3	Very low	180 Å²	180	136.1 Å²	136.1	94%	0.942	77%	0.766	S	S	*	*			trans	-68.2	102.5	155.5	-90.3	117.7	0	0	0	107.7
131	T	43.8	Very low	41.9	Very low	136 Å²	136	137.5 Å²	137.5	83%	0.834	77%	0.769	S	S	*	*			trans	-156.2	133.4	136.4	-171.6	0	0	0	0	110.5	S129	S129-T131 PolarHBondContact O-N 3.43Å
132	R	44.3	Very low	41.9	Very low	226 Å²	226	135.1 Å²	135.1	85%	0.853	76%	0.762	S	S	*	*			trans	-73.8	139.2	179.3	-171.9	-170.3	-144.2	-135	3	109.2
133	S	38.1	Very low	41.9	Very low	85 Å²	85	140.4 Å²	140.4	59%	0.594	78%	0.775	S	S	*	*				150.4	119.3	123	-66.9	0	0	0	0	113.3
134	T	46.9	Very low	42.3	Very low	124 Å²	124	139.5 Å²	139.5	76%	0.761	78%	0.779	S	S	*	*			trans	59.7	128.6	130.1	69	0	0	0	0	121.2
135	S	33.7	Very low	41.9	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	77%	0.771	S	S	*	*			trans	83.7	99.7	133.6	-81.2	0	0	0	0	118.6
136	S	39.8	Very low	42	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	79%	0.793	S	S	*	*				125.3	143.9	103.6	-62.7	0	0	0	0	115.5
137	R	40.5	Very low	41.6	Very low	228 Å²	228	133.8 Å²	133.8	86%	0.86	79%	0.785	S	S	*	*			trans	100.7	85.2	158.6	-58.7	177.3	164.3	-167.9	-7	114.6
138	S	45.3	Very low	41.8	Very low	105 Å²	105	134 Å²	134	73%	0.734	79%	0.79	S	S	*	*				68.6	99.4	76.9	71.7	0	0	0	0	113.8
139	F	38.3	Very low	41.1	Very low	210 Å²	210	136.6 Å²	136.6	92%	0.921	79%	0.791	S	S	*	*			trans	-121.3	116.8	148.1	-76.6	-83	0	0	0	107.6
140	G	35.7	Very low	41.2	Very low	64 Å²	64	136 Å²	136	66%	0.66	79%	0.793	S	S	*	*			trans	-65	172	171.4	0	0	0	0	0	111.5
141	N	39.8	Very low	41	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	79%	0.788	S	S	*	*			cis	-159.6	158.1	19.6	-95.5	-20.2	0	0	0	109.2
142	N	44.6	Very low	41	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	79%	0.788	S	S	*	*			trans	57.2	117.6	152.8	-87.5	-3.3	0	0	0	118.7
143	L	44.6	Very low	40.9	Very low	175 Å²	175	131.6 Å²	131.6	92%	0.916	79%	0.785	S	S	*	*				-162.9	126.6	106.2	-89.9	157.9	0	0	0	110.4
144	V	45.5	Very low	41.1	Very low	133 Å²	133	133 Å²	133	81%	0.806	79%	0.79	S	S	*	*			trans	-14.2	127.5	167.6	120.3	0	0	0	0	119.9
145	A	34	Very low	41.1	Very low	86 Å²	86	131.6 Å²	131.6	71%	0.711	79%	0.785	S	S	*	*				45.7	144.6	125.5	0	0	0	0	0	124
146	A	36.2	Very low	41.5	Very low	109 Å²	109	131.6 Å²	131.6	90%	0.901	79%	0.785	S	S	*	*			trans	77	133.3	161.1	0	0	0	0	0	115.5
147	G	35.4	Very low	41.9	Very low	64 Å²	64	134.6 Å²	134.6	66%	0.66	79%	0.793	S	S	*	*			cis	135.6	106.7	17.4	0	0	0	0	0	107.3
148	I	44.2	Very low	42.2	Very low	154 Å²	154	130.7 Å²	130.7	79%	0.79	79%	0.785	S	S	*	*			trans	53.4	140.4	155.7	-25.9	-172.4	0	0	0	119.7
149	M	37.1	Very low	42.4	Very low	169 Å²	169	136 Å²	136	83%	0.833	79%	0.789	S	S	*	*			trans	85.6	112.5	153.8	-51.9	-174.6	-86.8	0	0	116.8
150	A	45.1	Very low	42.8	Very low	94 Å²	94	136.2 Å²	136.2	78%	0.777	78%	0.784	S	S	*	*				168.5	100.8	107.2	0	0	0	0	0	109.8
151	E	48.7	Very low	43.2	Very low	183 Å²	183	138.3 Å²	138.3	86%	0.855	80%	0.795	S	S	*	*			trans	-55.9	139.2	146	42.8	-133.3	54.8	0	0	111.8
152	S	43.9	Very low	43.3	Very low	117 Å²	117	138.1 Å²	138.1	82%	0.818	79%	0.789	S	S	*	*			trans	179.3	95.7	155.5	-73.4	0	0	0	0	106.3
153	D	40.6	Very low	43	Very low	150 Å²	150	137.4 Å²	137.4	80%	0.802	79%	0.79	S	S	*	*				82	139.8	80.7	-165.1	-129.5	0	0	0	114.3
154	V	44	Very low	42.7	Very low	114 Å²	114	134.9 Å²	134.9	69%	0.691	79%	0.787	S	S	*	*			trans	67.7	113.2	155.9	87.1	0	0	0	0	119.8
155	S	45.8	Very low	42.4	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	79%	0.793	S	S	*	*				167.9	128.9	84.9	-158.9	0	0	0	0	113
156	S	42.9	Very low	42.7	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	80%	0.799	S	S	*	*			trans	60.9	105.8	139	-57.8	0	0	0	0	120.1
157	N	48.7	Very low	42.8	Very low	165 Å²	165	138.7 Å²	138.7	88%	0.882	80%	0.795	S	S	*	*				-155.3	118.9	102.7	-159.1	17.7	0	0	0	112
158	Q	45.3	Very low	43.5	Very low	146 Å²	146	147.7 Å²	147.7	68%	0.682	81%	0.808	S	S	*	*			trans	-74.3	142.6	169.1	-162.2	178.8	20.2	0	0	107.4
159	R	49.5	Very low	43.6	Very low	217 Å²	217	148.7 Å²	148.7	82%	0.819	81%	0.809	S	S	*	*				174.4	124.3	93.9	-87.5	172.5	171.6	-172.9	-4.6	111.7
160	R	47.9	Very low	44.2	Very low	214 Å²	214	147.5 Å²	147.5	81%	0.808	81%	0.806	S	S	*	*			trans	35.4	122.8	138.5	-69.5	-173.8	174.5	-162.2	-1	120.5
161	A	42.3	Very low	44	Very low	108 Å²	108	150.1 Å²	150.1	89%	0.893	80%	0.802	S	S	*	*				-149.2	133.8	121.6	0	0	0	0	0	109.6
162	Q	43.7	Very low	43.6	Very low	153 Å²	153	149.2 Å²	149.2	72%	0.715	80%	0.797	S	S	*	*			trans	-98.2	156.7	-168.7	-82.4	179.6	-4.8	0	0	112.8
163	T	36.8	Very low	43.5	Very low	132 Å²	132	148 Å²	148	81%	0.81	79%	0.794	S	S	*	*			trans	67.4	106.1	138.8	-63.1	0	0	0	0	119.6
164	S	38.6	Very low	43.5	Very low	123 Å²	123	145.3 Å²	145.3	86%	0.86	79%	0.793	S	S	*	*				-165.3	104.6	125.6	-169.1	0	0	0	0	110
165	R	39.4	Very low	43.6	Very low	249 Å²	249	144.7 Å²	144.7	94%	0.94	80%	0.8	S	S	*	*			trans	-146	121	160.6	-159.9	173	171.7	118.3	-3.1	108.4
166	G	39.9	Very low	43.4	Very low	80 Å²	80	151.6 Å²	151.6	83%	0.825	83%	0.829	S	S	*	*			trans	-67.8	158.5	-170.8	0	0	0	0	0	114.8
167	G	39.1	Very low	43.4	Very low	79 Å²	79	153.8 Å²	153.8	81%	0.814	83%	0.833	S	S	*	*			trans	-136.2	111.6	162.6	0	0	0	0	0	107.9
168	R	50.8	Low	43.1	Very low	252 Å²	252	153.2 Å²	153.2	95%	0.951	83%	0.83	S	S	*	*			trans	-71.7	133	162.6	-73.5	171.8	-81	170.6	-4.2	107.5
169	H	45.6	Very low	43	Very low	175 Å²	175	153.6 Å²	153.6	81%	0.81	84%	0.839	S	S	*	*			trans	-150.8	140.2	148.4	-156	73.5	0	0	0	110.1
170	L	49.2	Very low	42.6	Very low	144 Å²	144	149.8 Å²	149.8	75%	0.754	84%	0.84	S	S	*	*			trans	-65.8	162.4	-179	-69.4	127.3	0	0	0	111.5
171	E	42.3	Very low	42.3	Very low	150 Å²	150	145.8 Å²	145.8	70%	0.701	84%	0.842	S	S	*	*				156.4	115.7	118	-168.7	117.9	105	0	0	112.1
172	H	39.6	Very low	42.3	Very low	163 Å²	163	148.3 Å²	148.3	76%	0.755	84%	0.838	S	S	*	*			trans	67.8	121.1	137.6	-71.9	-156.8	0	0	0	123.7
173	A	41.1	Very low	42.2	Very low	92 Å²	92	148 Å²	148	76%	0.76	85%	0.847	S	S	*	*				91.5	140.6	113.5	0	0	0	0	0	122.4
174	A	42	Very low	42.6	Very low	93 Å²	93	149.2 Å²	149.2	77%	0.769	85%	0.85	S	S	*	*			trans	75.8	114.9	152	0	0	0	0	0	117
175	A	45.3	Very low	43	Very low	101 Å²	101	151.4 Å²	151.4	84%	0.835	85%	0.849	S	S	*	*				73.7	122.4	93.6	0	0	0	0	0	110.1
176	D	41.6	Very low	43.3	Very low	239 Å²	239	142.5 Å²	142.5	100%	1.278	84%	0.841	S	S	*	*			cis	-156	0	48.2	179.7	-110.7	0	0	0	108.8

Retrieved 176 of 176 residues in 78.9 ms (Link to these results)

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