A0A087XTR6_POEFO Loading...

Chromosome 9 open reading frame 85

AlphaFold DB , UniProt , Accession A0A087XTR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 182 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	57.2	Low	70.3	Confident	234 Å²	234	143.2 Å²	143.2	100%	1.153	81%	0.805	S	S	*	*				0	117.8	0	-75.3	-67.7	148.2	0	0	107.6	S3	M1-S3 PolarHBondContact O-N 3.21Å
2	S	69	Low	71.5	Confident	111 Å²	111	147.8 Å²	147.8	78%	0.776	80%	0.8	S	S	*	*			trans	-69	124	-175.7	179.7	0	0	0	0	110.8	Q4	S2-Q4 VanDerWaalsContact C-N 3.35Å; S2-Q4 PolarHBondContact OG-N 2.95Å
3	S	75.6	Confident	72.6	Confident	121 Å²	121	142.7 Å²	142.7	85%	0.846	79%	0.791	S	S	*	*			trans	-94.1	8.6	177.3	-49.2	0	0	0	0	112.7	M1 K5	M1-S3 PolarHBondContact O-N 3.21Å; S3-K5 PolarHBondContact O-N 3.31Å; S3-K5 VanDerWaalsContact O-N 3.16Å
4	Q	72.7	Confident	73.9	Confident	166 Å²	166	140.6 Å²	140.6	78%	0.776	77%	0.772	S	S	*	*			trans	-71.2	112.8	-177.5	-169.3	167.4	-11.9	0	0	109.7	S2 G6	S2-Q4 VanDerWaalsContact C-N 3.35Å; S2-Q4 PolarHBondContact OG-N 2.95Å; Q4-G6 PolarHBondContact O-N 2.73Å
5	K	69	Low	74.9	Confident	194 Å²	194	142.3 Å²	142.3	84%	0.843	77%	0.769	S	S	*	*			trans	-54.2	110.9	167.8	-80.4	151.4	173.3	164.9	0	107.3	S3	S3-K5 PolarHBondContact O-N 3.31Å; S3-K5 VanDerWaalsContact O-N 3.16Å
6	G	68.7	Low	75.9	Confident	59 Å²	59	142 Å²	142	61%	0.608	76%	0.76	S	S	*	*			trans	-51.7	144.5	-175.9	0	0	0	0	0	111.5	Q4 V8	Q4-G6 PolarHBondContact O-N 2.73Å; G6-V8 WeakPolarHBondContact O-CG2 2.93Å; G6-V8 PolarHBondContact O-N 3.36Å
7	N	65.3	Low	76.8	Confident	132 Å²	132	140.3 Å²	140.3	71%	0.706	75%	0.747	S	S	*	*			trans	-43.6	96.2	-173.5	-163.3	7.9	0	0	0	112.5	S9	N7-S9 PolarHBondContact O-N 3.16Å; N7-S9 PolarHBondContact OD1-O 3.48Å
8	V	67.4	Low	77.6	Confident	140 Å²	140	140.7 Å²	140.7	85%	0.848	75%	0.749	S	S	*	*	S	Bend	trans	-73.2	-19	-170.4	-138.7	0	0	0	0	111.5	G6	G6-V8 WeakPolarHBondContact O-CG2 2.93Å; G6-V8 PolarHBondContact O-N 3.36Å
9	S	72	Confident	78.3	Confident	90 Å²	90	141.8 Å²	141.8	63%	0.629	76%	0.755	S	S	*	*	S	Bend	trans	-104.3	95.6	175.2	40.8	0	0	0	0	110.4	N7 S11	N7-S9 PolarHBondContact O-N 3.16Å; N7-S9 PolarHBondContact OD1-O 3.48Å; S9-S11 PolarHBondContact O-N 3.03Å
10	R	74	Confident	79	Confident	195 Å²	195	139.8 Å²	139.8	74%	0.736	75%	0.748	S	S	*	*			trans	-74.7	123.3	172.6	-44.8	179.8	-164.4	160.3	4.2	108.1	R12	R10-R12 VanDerWaalsContact C-N 3.26Å; R10-R12 PolarHBondContact O-N 3.4Å
11	S	82.6	Confident	79.6	Confident	133 Å²	133	136.5 Å²	136.5	93%	0.93	74%	0.741	S	S	*	*	S	Bend	trans	-68.5	-25.2	178.4	55.3	0	0	0	0	113.5	S9	S9-S11 PolarHBondContact O-N 3.03Å
12	R	84.4	Confident	81.3	Confident	198 Å²	198	130 Å²	130	75%	0.747	71%	0.706	S	S	*	*	S	Bend	trans	-124.9	142	-179.3	-168.8	-179.8	176.6	154.8	2.6	111.1	R10	R10-R12 VanDerWaalsContact C-N 3.26Å; R10-R12 PolarHBondContact O-N 3.4Å
13	A	86.6	Confident	82.4	Confident	82 Å²	82	131.3 Å²	131.3	68%	0.678	70%	0.698	S	S	*	*			trans	-59.2	153.6	169.5	0	0	0	0	0	111.3	K15	A13-K15 PolarHBondContact O-N 3.27Å
14	Q	89.5	Confident	83.2	Confident	113 Å²	113	126.6 Å²	126.6	53%	0.528	66%	0.664	S	S	.	*			trans	-60.6	125.6	178.6	151.5	180	-0.3	0	0	109.8	H16 Q17	Q14-H16 VanDerWaalsContact C-N 3.26Å; Q14-H16 VanDerWaalsContact CG-O 3.31Å; Q14-H16 WeakPolarHBondContact CG-O 3.48Å; Q14-H16 PolarHBondContact NE2-O 3.15Å; Q14-H16 PolarHBondContact O-N 3.43Å; Q14-Q17 PolarHBondContact O-NE2 2.97Å
15	K	90.2	Very high	84.1	Confident	167 Å²	167	122.6 Å²	122.6	73%	0.726	65%	0.647	S	S	*	*	S	Bend	trans	-58.6	-35.2	-172.9	-178	179.3	176.4	-175.5	0	113.1	A13	A13-K15 PolarHBondContact O-N 3.27Å
16	H	90.1	Very high	85.1	Confident	137 Å²	137	119.3 Å²	119.3	63%	0.634	63%	0.633	S	S	*	*	S	Bend	trans	-113.1	96.5	-178.7	-57.1	-81.3	0	0	0	109.1	Q14	Q14-H16 VanDerWaalsContact C-N 3.26Å; Q14-H16 VanDerWaalsContact CG-O 3.31Å; Q14-H16 WeakPolarHBondContact CG-O 3.48Å; Q14-H16 PolarHBondContact NE2-O 3.15Å; Q14-H16 PolarHBondContact O-N 3.43Å
17	Q	90.8	Very high	86	Confident	113 Å²	113	126.1 Å²	126.1	53%	0.528	64%	0.642	S	S	.	*			trans	-93.1	149.3	173.7	-64.2	-62.7	-30.9	0	0	110.2	Q14 N19	Q14-Q17 PolarHBondContact O-NE2 2.97Å; Q17-N19 PolarHBondContact O-N 3.21Å
18	N	91	Very high	87	Confident	148 Å²	148	122.6 Å²	122.6	79%	0.791	64%	0.637	S	S	*	*			trans	-75.9	119.5	172.2	-68.4	-25.5	0	0	0	109.3	T20	N18-T20 VanDerWaalsContact C-N 3.31Å
19	N	91.7	Very high	88	Confident	161 Å²	161	117.1 Å²	117.1	86%	0.861	61%	0.606	S	S	*	*	S	Bend	trans	-72.7	-25.1	176.2	-69.9	-21.7	0	0	0	112.9	Q17	Q17-N19 PolarHBondContact O-N 3.21Å
20	T	92.1	Very high	89	Confident	101 Å²	101	116.6 Å²	116.6	62%	0.62	60%	0.599	S	S	*	*	S	Bend	trans	-133.1	145.7	179.2	53.6	0	0	0	0	110.2	N18	N18-T20 VanDerWaalsContact C-N 3.31Å
21	A	91.3	Very high	89.9	Confident	72 Å²	72	111.3 Å²	111.3	60%	0.595	60%	0.597	S	S	*	*			trans	-66.9	144.8	173.3	0	0	0	0	0	110.3	K23	A21-K23 PolarHBondContact O-N 2.86Å
22	F	93.1	Very high	90.3	Very high	96 Å²	96	112.4 Å²	112.4	42%	0.421	59%	0.588	S	S	.	*			trans	-60	130.6	171.6	-178.6	-95.9	0	0	0	110.1	N24 K57 Y58	F22-N24 HydrophobicContact CE1-CB 4.05Å; F22-K57 WeakPolarHBondContact CD1-O 3.35Å; F22-K57 WeakPolarHBondContact CE1-O 3.2Å; F22-Y58 HydrophobicContact CB-CD1 4.13Å; F22-Y58 HydrophobicContact CB-CE1 3.66Å; F22-Y58 AromaticContact CD1-CD1 3.57Å; F22-Y58 HydrophobicContact CD1-CD1 3.57Å; F22-Y58 AromaticContact CD1-CE1 3.97Å; F22-Y58 HydrophobicContact CD1-CE1 3.97Å; F22-Y58 HydrophobicContact CD1-CG 4.31Å; F22-Y58 HydrophobicContact CE1-CD1 4.2Å; F22-Y58 AromaticContact CG-CD1 3.93Å; F22-Y58 HydrophobicContact CG-CD1 3.93Å; F22-Y58 AromaticContact CG-CE1 3.99Å; F22-Y58 HydrophobicContact CG-CE1 3.99Å
23	K	92.6	Very high	90.6	Very high	139 Å²	139	103.8 Å²	103.8	60%	0.604	56%	0.557	S	S	*	*			trans	-123.5	128	173.1	-65.7	-171.7	-180	-174.8	0	108.1	A21 D25 K26	A21-K23 PolarHBondContact O-N 2.86Å; K23-D25 WeakPolarHBondContact CB-OD1 3.19Å; K23-D25 PolarHBondContact O-N 3.23Å; K23-K26 HydrophobicContact CB-CB 4.28Å
24	N	92.9	Very high	91	Very high	23 Å²	23	106.2 Å²	106.2	12%	0.123	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	-12.3	-176.6	57.9	1.6	0	0	0	114.2	F22 V33 N37 V56 N59	F22-N24 HydrophobicContact CE1-CB 4.05Å; N24-V33 HydrophobicContact CB-CG1 4.12Å; N24-N37 PolarHBondContact ND2-ND2 3.34Å; N24-N37 PolarHBondContact ND2-OD1 3.32Å; N24-N37 PolarHBondContact OD1-ND2 2.87Å; N24-V56 PolarHBondContact ND2-O 3.17Å; N24-N59 WeakPolarHBondContact CB-OD1 3.38Å
25	D	91.4	Very high	91.2	Very high	82 Å²	82	108.5 Å²	108.5	44%	0.439	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.1	2.2	-177.7	60	-8.2	0	0	0	113.4	K23 Y27 G28 A29	K23-D25 WeakPolarHBondContact CB-OD1 3.19Å; K23-D25 PolarHBondContact O-N 3.23Å; D25-Y27 PolarHBondContact O-N 3.42Å; D25-G28 PolarHBondContact O-N 3.04Å; D25-A29 HydrophobicContact CB-CB 4.06Å
26	K	89	Confident	91.3	Very high	125 Å²	125	101.2 Å²	101.2	54%	0.543	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.2	-171.8	-172.7	-179.7	175.8	-164.9	0	114.4	K23	K23-K26 HydrophobicContact CB-CB 4.28Å
27	Y	88.9	Confident	91.4	Very high	201 Å²	201	98 Å²	98	79%	0.788	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	25	-176.8	-55.6	-70.7	0	0	0	112.2	D25	D25-Y27 PolarHBondContact O-N 3.42Å
28	G	85.6	Confident	91.5	Very high	58 Å²	58	96.9 Å²	96.9	60%	0.598	52%	0.524	S	S	*	.			trans	96	131.6	-171.3	0	0	0	0	0	111.6	D25	D25-G28 PolarHBondContact O-N 3.04Å
29	A	88.2	Confident	91.4	Very high	25 Å²	25	93.4 Å²	93.4	21%	0.207	50%	0.501	C	S	.	.			trans	-90.6	122.4	177.1	0	0	0	0	0	110.3	D25 V33 K34	D25-A29 HydrophobicContact CB-CB 4.06Å; A29-V33 HydrophobicContact CB-CB 4.26Å; A29-V33 HydrophobicContact CB-CG1 4.04Å; A29-K34 HydrophobicContact CB-CG 3.67Å; A29-K34 VanDerWaalsContact O-CE 3.31Å; A29-K34 WeakPolarHBondContact O-CE 3.48Å
30	T	92.8	Very high	91.3	Very high	80 Å²	80	89.5 Å²	89.5	49%	0.491	48%	0.48	S	S	.	.			trans	-61.8	159	168.9	66.6	0	0	0	0	110.3	Q32 V33 K34	T30-Q32 PolarHBondContact O-N 3.21Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; T30-V33 PolarHBondContact O-N 2.87Å; T30-V33 WeakPolarHBondContact OG1-CG2 3.43Å; T30-V33 PolarHBondContact OG1-N 3.34Å; T30-K34 PolarHBondContact O-N 2.83Å
31	A	92.3	Very high	91.1	Very high	84 Å²	84	85.4 Å²	85.4	69%	0.694	45%	0.453	S	S	*	.	H	α-helix	trans	-53.8	-35.5	177.7	0	0	0	0	0	112.5	K35	A31-K35 WeakPolarHBondContact O-CB 3.49Å; A31-K35 PolarHBondContact O-N 3Å
32	Q	91.1	Very high	91	Very high	155 Å²	155	83.1 Å²	83.1	72%	0.724	43%	0.431	S	S	*	.	H	α-helix	trans	-66.3	-43.6	175.8	-66.1	-179.4	-19	0	0	112.5	T30 K35 A36	T30-Q32 PolarHBondContact O-N 3.21Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; Q32-K35 PolarHBondContact O-N 3.47Å; Q32-A36 WeakPolarHBondContact O-CB 3.39Å; Q32-A36 PolarHBondContact O-N 3.07Å
33	V	92.4	Very high	90.8	Very high	17 Å²	17	78.6 Å²	78.6	10%	0.103	41%	0.411	C	S	.	.	H	α-helix	trans	-66.1	-42.3	177.6	174.2	0	0	0	0	110.6	N24 A29 T30 K35 A36 N37 N59	N24-V33 HydrophobicContact CB-CG1 4.12Å; A29-V33 HydrophobicContact CB-CB 4.26Å; A29-V33 HydrophobicContact CB-CG1 4.04Å; T30-V33 PolarHBondContact O-N 2.87Å; T30-V33 WeakPolarHBondContact OG1-CG2 3.43Å; T30-V33 PolarHBondContact OG1-N 3.34Å; V33-K35 PolarHBondContact O-N 3.23Å; V33-A36 PolarHBondContact O-N 3.44Å; V33-N37 WeakPolarHBondContact O-CB 3.32Å; V33-N37 PolarHBondContact O-N 2.91Å; V33-N59 WeakPolarHBondContact CG2-OD1 3.34Å
34	K	93.6	Very high	90.8	Very high	133 Å²	133	72.1 Å²	72.1	58%	0.578	38%	0.383	S	S	*	.	H	α-helix	trans	-58	-47.4	174.2	-68.1	-177.8	-180	178.7	0	111.5	A29 T30 A36 N37 S38	A29-K34 HydrophobicContact CB-CG 3.67Å; A29-K34 VanDerWaalsContact O-CE 3.31Å; A29-K34 WeakPolarHBondContact O-CE 3.48Å; T30-K34 PolarHBondContact O-N 2.83Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 3.3Å; K34-N37 PolarHBondContact O-N 3.06Å; K34-S38 PolarHBondContact O-N 3.27Å; K34-S38 PolarHBondContact O-OG 3.39Å
35	K	93.3	Very high	90.7	Very high	162 Å²	162	71 Å²	71	70%	0.704	38%	0.378	S	S	*	.	H	α-helix	trans	-64.6	-33.5	177.5	-171.8	174.9	-175.6	174.2	0	113	A31 Q32 V33 S38 K39	A31-K35 WeakPolarHBondContact O-CB 3.49Å; A31-K35 PolarHBondContact O-N 3Å; Q32-K35 PolarHBondContact O-N 3.47Å; V33-K35 PolarHBondContact O-N 3.23Å; K35-S38 PolarHBondContact O-OG 2.6Å; K35-K39 PolarHBondContact O-N 3.42Å
36	A	92.9	Very high	90.7	Very high	14 Å²	14	73.3 Å²	73.3	12%	0.116	39%	0.386	C	S	.	.	H	α-helix	trans	-72	-41.6	175.2	0	0	0	0	0	111.6	Q32 V33 K34 K39 V56 Y61	Q32-A36 WeakPolarHBondContact O-CB 3.39Å; Q32-A36 PolarHBondContact O-N 3.07Å; V33-A36 PolarHBondContact O-N 3.44Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 3.3Å; A36-K39 WeakPolarHBondContact O-CB 3.27Å; A36-K39 PolarHBondContact O-N 3.39Å; A36-V56 HydrophobicContact CB-CG1 4.22Å; A36-V56 HydrophobicContact CB-CG2 4.4Å; A36-V56 WeakPolarHBondContact O-CG1 3.15Å; A36-Y61 HydrophobicContact CB-CD1 4.15Å
37	N	92.4	Very high	90.9	Very high	70 Å²	70	73.8 Å²	73.8	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-66.6	-34.9	178.1	-76.2	-14.6	0	0	0	112.9	N24 V33 K34 K39 V56	N24-N37 PolarHBondContact ND2-ND2 3.34Å; N24-N37 PolarHBondContact ND2-OD1 3.32Å; N24-N37 PolarHBondContact OD1-ND2 2.87Å; V33-N37 WeakPolarHBondContact O-CB 3.32Å; V33-N37 PolarHBondContact O-N 2.91Å; K34-N37 PolarHBondContact O-N 3.06Å; N37-K39 VanDerWaalsContact C-N 3.28Å; N37-K39 PolarHBondContact O-N 3.4Å; N37-V56 WeakPolarHBondContact OD1-CG1 3.18Å
38	S	91.9	Very high	91.2	Very high	89 Å²	89	64.3 Å²	64.3	62%	0.622	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.3	176.7	64.7	0	0	0	0	114.1	K34 K35 I40	K34-S38 PolarHBondContact O-N 3.27Å; K34-S38 PolarHBondContact O-OG 3.39Å; K35-S38 PolarHBondContact O-OG 2.6Å; S38-I40 PolarHBondContact O-N 3.47Å
39	K	89.7	Confident	91.5	Very high	74 Å²	74	63.8 Å²	63.8	32%	0.322	33%	0.334	S	S	.	.			trans	-75.4	116.8	-175.4	-175	61.8	178.2	175.9	0	110.7	K35 A36 N37 D80	K35-K39 PolarHBondContact O-N 3.42Å; A36-K39 WeakPolarHBondContact O-CB 3.27Å; A36-K39 PolarHBondContact O-N 3.39Å; N37-K39 VanDerWaalsContact C-N 3.28Å; N37-K39 PolarHBondContact O-N 3.4Å; K39-D80 WeakPolarHBondContact CE-OD1 3.44Å; K39-D80 IonicContact NZ-OD1 3.82Å; K39-D80 PolarHBondContact NZ-OD1 3.04Å
40	I	88.9	Confident	91.8	Very high	79 Å²	79	64.1 Å²	64.1	41%	0.405	34%	0.34	S	S	.	.			trans	-78.3	132.2	170.1	-45.2	178.2	0	0	0	109.1	S38 D42 H112	S38-I40 PolarHBondContact O-N 3.47Å; I40-D42 WeakPolarHBondContact CG2-OD1 3.44Å; I40-H112 VanDerWaalsContact CD1-CD2 3.48Å; I40-H112 WeakPolarHBondContact CD1-CD2 3.49Å
41	H	89.8	Confident	92	Very high	15 Å²	15	62.4 Å²	62.4	7%	0.069	33%	0.329	C	S	.	.			trans	-102.7	76.7	-178.8	-68	-45.2	0	0	0	110.9	L44 Y61	H41-L44 HydrophobicContact CB-CD1 3.89Å; H41-Y61 AromaticContact CE1-CE2 3.84Å
42	D	88.4	Confident	92.1	Very high	25 Å²	25	58.4 Å²	58.4	13%	0.134	30%	0.296	C	S	.	.			trans	-79	156.8	-178.5	-46.1	-41.2	0	0	0	112.7	I40 L44 K87 I107	I40-D42 WeakPolarHBondContact CG2-OD1 3.44Å; D42-L44 VanDerWaalsContact C-N 3.29Å; D42-L44 PolarHBondContact O-N 3.37Å; D42-K87 IonicContact OD2-NZ 2.67Å; D42-I107 HydrophobicContact CB-CG2 4.42Å
43	G	88.6	Confident	92.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	68.6	25	170.9	0	0	0	0	0	114.7	C97 I107 V109	G43-C97 PolarHBondContact O-N 3.18Å; G43-C97 PolarHBondContact O-SG 2.9Å; G43-C97 VanDerWaalsContact O-SG 3.32Å; G43-I107 PolarHBondContact N-O 3.2Å; G43-I107 VanDerWaalsContact N-O 3.08Å; G43-V109 VanDerWaalsContact CA-CG2 3.48Å
44	L	91.8	Very high	92.4	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	30%	0.3	C	S	.	.			trans	-115.3	149.3	178.7	-60.2	-179	0	0	0	111.7	H41 D42 C48 K49 L52 C97 K98 I106	H41-L44 HydrophobicContact CB-CD1 3.89Å; D42-L44 VanDerWaalsContact C-N 3.29Å; D42-L44 PolarHBondContact O-N 3.37Å; L44-C48 HydrophobicContact CB-CB 4.23Å; L44-C48 HydrophobicContact CD2-CB 4.42Å; L44-K49 HydrophobicContact CB-CB 4.47Å; L44-L52 HydrophobicContact CD1-CD1 3.38Å; L44-L52 HydrophobicContact CD1-CG 4.2Å; L44-C97 HydrophobicContact CD2-CB 4.01Å; L44-K98 HydrophobicContact CD2-CB 3.58Å; L44-I106 PolarHBondContact O-N 3.42Å
45	C	92.1	Very high	92.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-72.2	162.6	166.5	71.1	0	0	0	0	111.4	H47 C48 K49 C96 E103	C45-H47 VanDerWaalsContact C-N 3.28Å; C45-H47 PolarHBondContact O-N 2.97Å; C45-C48 PolarHBondContact O-N 3.14Å; C45-K49 PolarHBondContact O-N 3.11Å; C45-C96 HydrophobicContact CB-CB 4.2Å; C45-C96 PolarHBondContact N-SG 3.16Å; C45-C96 VanDerWaalsContact N-SG 3.4Å; C45-E103 HydrophobicContact CB-CB 3.89Å; C45-E103 WeakPolarHBondContact CB-OE2 3.17Å; C45-E103 PolarHBondContact SG-OE2 3.34Å
46	Q	91.3	Very high	92.6	Very high	130 Å²	130	49.4 Å²	49.4	61%	0.607	25%	0.253	S	S	*	.	H	α-helix	trans	-52.7	-45.6	-177.4	-170.9	61.6	-45.9	0	0	113.4	K49 G50 I106	Q46-K49 PolarHBondContact O-N 3.49Å; Q46-G50 PolarHBondContact O-N 3.17Å; Q46-G50 VanDerWaalsContact O-N 3.07Å; Q46-I106 HydrophobicContact CB-CD1 3.54Å; Q46-I106 VanDerWaalsContact CD-CD1 3.46Å; Q46-I106 HydrophobicContact CG-CD1 4.05Å
47	H	92.9	Very high	92.7	Very high	135 Å²	135	53.6 Å²	53.6	63%	0.625	27%	0.268	S	S	*	.	H	α-helix	trans	-62.5	-47.2	179.5	173.1	-93.9	0	0	0	111.5	C45 K49 G50 V51	C45-H47 VanDerWaalsContact C-N 3.28Å; C45-H47 PolarHBondContact O-N 2.97Å; H47-K49 PolarHBondContact O-N 2.07Å; H47-G50 PolarHBondContact O-N 3.4Å; H47-V51 WeakPolarHBondContact O-CG2 3.47Å; H47-V51 PolarHBondContact O-N 2.8Å; H47-V51 VanDerWaalsContact O-N 3.11Å
48	C	94.4	Very high	92.8	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-67.9	-36.2	-178.6	-75.5	0	0	0	0	112.5	L44 C45 V51 L52 K98	L44-C48 HydrophobicContact CB-CB 4.23Å; L44-C48 HydrophobicContact CD2-CB 4.42Å; C45-C48 PolarHBondContact O-N 3.14Å; C48-V51 PolarHBondContact O-N 2.93Å; C48-L52 PolarHBondContact O-N 2.86Å; C48-L52 VanDerWaalsContact O-N 3.12Å; C48-K98 HydrophobicContact CB-CB 4.07Å; C48-K98 HydrophobicContact CB-CD 3.91Å; C48-K98 HydrophobicContact CB-CG 4.3Å
49	K	93.8	Very high	92.9	Very high	46 Å²	46	54 Å²	54	20%	0.2	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-52.6	173.4	-179.1	177	173.2	179.4	0	110.8	L44 C45 Q46 H47 V51 L52 E53 I106	L44-K49 HydrophobicContact CB-CB 4.47Å; C45-K49 PolarHBondContact O-N 3.11Å; Q46-K49 PolarHBondContact O-N 3.49Å; H47-K49 PolarHBondContact O-N 2.07Å; K49-V51 VanDerWaalsContact C-N 3.28Å; K49-V51 PolarHBondContact O-N 3.29Å; K49-L52 PolarHBondContact O-N 3.19Å; K49-E53 WeakPolarHBondContact CE-OE1 3.32Å; K49-E53 HydrophobicContact CG-CG 4.34Å; K49-E53 IonicContact NZ-OE1 3.9Å; K49-E53 WeakPolarHBondContact O-CG 3.31Å; K49-E53 PolarHBondContact O-N 3.46Å; K49-I106 HydrophobicContact CD-CD1 4.34Å
50	G	94.4	Very high	93.1	Very high	33 Å²	33	56 Å²	56	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-58.9	-36.8	177.7	0	0	0	0	0	113.5	Q46 H47 W54	Q46-G50 PolarHBondContact O-N 3.17Å; Q46-G50 VanDerWaalsContact O-N 3.07Å; H47-G50 PolarHBondContact O-N 3.4Å; G50-W54 WeakPolarHBondContact O-CB 3.47Å; G50-W54 PolarHBondContact O-N 3.42Å
51	V	95.4	Very high	93.4	Very high	43 Å²	43	53.9 Å²	53.9	26%	0.261	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-40.3	175.2	172	0	0	0	0	112.1	H47 C48 K49 K55	H47-V51 WeakPolarHBondContact O-CG2 3.47Å; H47-V51 PolarHBondContact O-N 2.8Å; H47-V51 VanDerWaalsContact O-N 3.11Å; C48-V51 PolarHBondContact O-N 2.93Å; K49-V51 VanDerWaalsContact C-N 3.28Å; K49-V51 PolarHBondContact O-N 3.29Å; V51-K55 WeakPolarHBondContact O-CG 3.36Å; V51-K55 PolarHBondContact O-N 3.01Å
52	L	95.4	Very high	93.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-74.5	-43.7	178.6	-65.1	-168.9	0	0	0	112	L44 C48 K49 W54 K55 V56 Y82 K98	L44-L52 HydrophobicContact CD1-CD1 3.38Å; L44-L52 HydrophobicContact CD1-CG 4.2Å; C48-L52 PolarHBondContact O-N 2.86Å; C48-L52 VanDerWaalsContact O-N 3.12Å; K49-L52 PolarHBondContact O-N 3.19Å; L52-W54 VanDerWaalsContact C-N 3.26Å; L52-W54 PolarHBondContact O-N 3.08Å; L52-K55 HydrophobicContact CD2-CD 4.19Å; L52-K55 WeakPolarHBondContact O-CA 3.36Å; L52-K55 WeakPolarHBondContact O-CB 3.48Å; L52-K55 PolarHBondContact O-N 3.4Å; L52-V56 WeakPolarHBondContact O-CG2 3.19Å; L52-V56 PolarHBondContact O-N 3.26Å; L52-Y82 HydrophobicContact CD2-CD2 3.71Å; L52-Y82 HydrophobicContact CD2-CG 3.85Å; L52-K98 HydrophobicContact CD2-CD 4.21Å; L52-K98 HydrophobicContact CG-CD 4.35Å
53	E	94.7	Very high	93.9	Very high	91 Å²	91	63.9 Å²	63.9	43%	0.425	31%	0.305	S	S	.	.	H	α-helix	trans	-58.3	-40.5	174.8	-72	176.8	168.9	0	0	111.3	K49 K55 V56 K57	K49-E53 WeakPolarHBondContact CE-OE1 3.32Å; K49-E53 HydrophobicContact CG-CG 4.34Å; K49-E53 IonicContact NZ-OE1 3.9Å; K49-E53 WeakPolarHBondContact O-CG 3.31Å; K49-E53 PolarHBondContact O-N 3.46Å; E53-K55 PolarHBondContact O-N 2.9Å; E53-V56 PolarHBondContact O-N 3.48Å; E53-K57 VanDerWaalsContact O-CB 3.27Å; E53-K57 WeakPolarHBondContact O-CB 3.37Å; E53-K57 PolarHBondContact O-N 2.89Å
54	W	95.5	Very high	94.2	Very high	125 Å²	125	66 Å²	66	47%	0.473	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-43.8	172.8	179.3	89.6	0	0	0	112	G50 L52 V56 K57 Y58 K60	G50-W54 WeakPolarHBondContact O-CB 3.47Å; G50-W54 PolarHBondContact O-N 3.42Å; L52-W54 VanDerWaalsContact C-N 3.26Å; L52-W54 PolarHBondContact O-N 3.08Å; W54-V56 VanDerWaalsContact C-N 3.31Å; W54-V56 PolarHBondContact O-N 3.12Å; W54-K57 PolarHBondContact O-N 3.42Å; W54-Y58 AromaticContact CD1-CD2 3.41Å; W54-Y58 VanDerWaalsContact CD1-CD2 3.41Å; W54-Y58 AromaticContact CD1-CE2 3.35Å; W54-Y58 HydrophobicContact CD2-CD2 4.04Å; W54-Y58 AromaticContact CE2-CD2 3.65Å; W54-Y58 AromaticContact CG-CD2 3.89Å; W54-Y58 HydrophobicContact CG-CD2 3.89Å; W54-Y58 HydrophobicContact CG-CE2 4.24Å; W54-Y58 HydrophobicContact CZ2-CD2 4.36Å; W54-Y58 AromaticContact NE1-CD2 3.22Å; W54-Y58 AromaticContact NE1-CE2 3.2Å; W54-Y58 WeakPolarHBondContact O-CD2 3.27Å; W54-Y58 PolarHBondContact O-N 2.79Å; W54-K60 HydrophobicContact CH2-CD 3.56Å; W54-K60 HydrophobicContact CZ2-CD 4.41Å; W54-K60 HydrophobicContact CZ3-CD 3.77Å
55	K	96.1	Very high	94.3	Very high	49 Å²	49	72.9 Å²	72.9	21%	0.213	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-40.5	176.2	-75.4	173.4	179.6	-69.6	0	111.7	V51 L52 E53 N59 K60 Y61 Y82	V51-K55 WeakPolarHBondContact O-CG 3.36Å; V51-K55 PolarHBondContact O-N 3.01Å; L52-K55 HydrophobicContact CD2-CD 4.19Å; L52-K55 WeakPolarHBondContact O-CA 3.36Å; L52-K55 WeakPolarHBondContact O-CB 3.48Å; L52-K55 PolarHBondContact O-N 3.4Å; E53-K55 PolarHBondContact O-N 2.9Å; K55-N59 PolarHBondContact O-N 3.2Å; K55-K60 HydrophobicContact CB-CB 4.45Å; K55-K60 HydrophobicContact CG-CB 4.45Å; K55-K60 CarbonylContact O-C 3.57Å; K55-K60 WeakPolarHBondContact O-CA 3.15Å; K55-K60 PolarHBondContact O-N 3.14Å; K55-Y61 HydrophobicContact CB-CD2 4.43Å; K55-Y61 PolarHBondContact O-N 3.05Å; K55-Y61 VanDerWaalsContact O-N 3.09Å; K55-Y82 HydrophobicContact CD-CE1 4.19Å; K55-Y82 HydrophobicContact CD-CE2 4.12Å
56	V	95.1	Very high	94.4	Very high	14 Å²	14	79.9 Å²	79.9	9%	0.085	39%	0.391	C	S	.	.	H	α-helix	trans	-65.1	-51.7	176	172.3	0	0	0	0	110.1	N24 A36 N37 L52 E53 W54 Y58 N59 Y61	N24-V56 PolarHBondContact ND2-O 3.17Å; A36-V56 HydrophobicContact CB-CG1 4.22Å; A36-V56 HydrophobicContact CB-CG2 4.4Å; A36-V56 WeakPolarHBondContact O-CG1 3.15Å; N37-V56 WeakPolarHBondContact OD1-CG1 3.18Å; L52-V56 WeakPolarHBondContact O-CG2 3.19Å; L52-V56 PolarHBondContact O-N 3.26Å; E53-V56 PolarHBondContact O-N 3.48Å; W54-V56 VanDerWaalsContact C-N 3.31Å; W54-V56 PolarHBondContact O-N 3.12Å; V56-Y58 PolarHBondContact O-N 2.92Å; V56-N59 PolarHBondContact O-N 3.36Å; V56-Y61 HydrophobicContact CG2-CD2 3.87Å; V56-Y61 HydrophobicContact CG2-CG 3.94Å
57	K	94.7	Very high	94.6	Very high	101 Å²	101	77 Å²	77	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-55.2	-36.7	-179.8	-177.9	173.5	-178.1	172.8	0	113.2	F22 E53 W54	F22-K57 WeakPolarHBondContact CD1-O 3.35Å; F22-K57 WeakPolarHBondContact CE1-O 3.2Å; E53-K57 VanDerWaalsContact O-CB 3.27Å; E53-K57 WeakPolarHBondContact O-CB 3.37Å; E53-K57 PolarHBondContact O-N 2.89Å; W54-K57 PolarHBondContact O-N 3.42Å
58	Y	94.8	Very high	94.8	Very high	87 Å²	87	75.7 Å²	75.7	34%	0.341	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	17.8	-176.6	-71.1	-78.7	0	0	0	114.6	F22 W54 V56 K60	F22-Y58 HydrophobicContact CB-CD1 4.13Å; F22-Y58 HydrophobicContact CB-CE1 3.66Å; F22-Y58 AromaticContact CD1-CD1 3.57Å; F22-Y58 HydrophobicContact CD1-CD1 3.57Å; F22-Y58 AromaticContact CD1-CE1 3.97Å; F22-Y58 HydrophobicContact CD1-CE1 3.97Å; F22-Y58 HydrophobicContact CD1-CG 4.31Å; F22-Y58 HydrophobicContact CE1-CD1 4.2Å; F22-Y58 AromaticContact CG-CD1 3.93Å; F22-Y58 HydrophobicContact CG-CD1 3.93Å; F22-Y58 AromaticContact CG-CE1 3.99Å; F22-Y58 HydrophobicContact CG-CE1 3.99Å; W54-Y58 AromaticContact CD1-CD2 3.41Å; W54-Y58 VanDerWaalsContact CD1-CD2 3.41Å; W54-Y58 AromaticContact CD1-CE2 3.35Å; W54-Y58 HydrophobicContact CD2-CD2 4.04Å; W54-Y58 AromaticContact CE2-CD2 3.65Å; W54-Y58 AromaticContact CG-CD2 3.89Å; W54-Y58 HydrophobicContact CG-CD2 3.89Å; W54-Y58 HydrophobicContact CG-CE2 4.24Å; W54-Y58 HydrophobicContact CZ2-CD2 4.36Å; W54-Y58 AromaticContact NE1-CD2 3.22Å; W54-Y58 AromaticContact NE1-CE2 3.2Å; W54-Y58 WeakPolarHBondContact O-CD2 3.27Å; W54-Y58 PolarHBondContact O-N 2.79Å; V56-Y58 PolarHBondContact O-N 2.92Å; Y58-K60 PolarHBondContact O-N 2.78Å
59	N	93.8	Very high	94.9	Very high	82 Å²	82	82.6 Å²	82.6	44%	0.439	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	34.2	-179.8	-71.6	-19.6	0	0	0	114.2	N24 V33 K55 V56	N24-N59 WeakPolarHBondContact CB-OD1 3.38Å; V33-N59 WeakPolarHBondContact CG2-OD1 3.34Å; K55-N59 PolarHBondContact O-N 3.2Å; V56-N59 PolarHBondContact O-N 3.36Å
60	K	94.1	Very high	95.1	Very high	115 Å²	115	80.6 Å²	80.6	50%	0.5	40%	0.398	S	S	.	.			trans	-107.5	2.3	176.7	-64	-178.6	-171.5	-66.1	0	112.9	W54 K55 Y58 Y82	W54-K60 HydrophobicContact CH2-CD 3.56Å; W54-K60 HydrophobicContact CZ2-CD 4.41Å; W54-K60 HydrophobicContact CZ3-CD 3.77Å; K55-K60 HydrophobicContact CB-CB 4.45Å; K55-K60 HydrophobicContact CG-CB 4.45Å; K55-K60 CarbonylContact O-C 3.57Å; K55-K60 WeakPolarHBondContact O-CA 3.15Å; K55-K60 PolarHBondContact O-N 3.14Å; Y58-K60 PolarHBondContact O-N 2.78Å; K60-Y82 PolarHBondContact O-OH 3.08Å
61	Y	95.3	Very high	95.2	Very high	35 Å²	35	83.5 Å²	83.5	14%	0.137	41%	0.409	C	S	.	.			trans	-77.1	124.6	178.5	-173.3	-93.4	0	0	0	110.7	A36 H41 K55 V56 P63 A81 Y82	A36-Y61 HydrophobicContact CB-CD1 4.15Å; H41-Y61 AromaticContact CE1-CE2 3.84Å; K55-Y61 HydrophobicContact CB-CD2 4.43Å; K55-Y61 PolarHBondContact O-N 3.05Å; K55-Y61 VanDerWaalsContact O-N 3.09Å; V56-Y61 HydrophobicContact CG2-CD2 3.87Å; V56-Y61 HydrophobicContact CG2-CG 3.94Å; Y61-P63 HydrophobicContact CE1-CB 4.33Å; Y61-A81 HydrophobicContact CE1-CB 4.43Å; Y61-A81 HydrophobicContact CE2-CB 4.38Å; Y61-Y82 HydrophobicContact CD2-CD2 4.12Å; Y61-Y82 AromaticContact CD2-CE2 3.65Å; Y61-Y82 HydrophobicContact CD2-CE2 3.65Å; Y61-Y82 AromaticContact CE2-CD2 3.78Å; Y61-Y82 HydrophobicContact CE2-CD2 3.78Å; Y61-Y82 AromaticContact CE2-CE2 3.72Å; Y61-Y82 HydrophobicContact CE2-CE2 3.72Å; Y61-Y82 HydrophobicContact CG-CE2 4.28Å
62	K	94.5	Very high	95.1	Very high	158 Å²	158	86.6 Å²	86.6	69%	0.687	42%	0.418	S	S	*	.			trans	-112.9	112.5	176.3	-62.5	-171.9	176.8	-170.4	0	109.3	A81 Y82	K62-A81 VanDerWaalsContact O-CB 3.24Å; K62-A81 WeakPolarHBondContact O-CB 3.45Å; K62-Y82 PolarHBondContact N-OH 3.49Å
63	P	93.8	Very high	95.1	Very high	92 Å²	92	88.7 Å²	88.7	60%	0.597	43%	0.433	S	S	*	.			trans	-67	160.5	175.3	29.2	-33.9	0	0	0	111.1	Y61	Y61-P63 HydrophobicContact CE1-CB 4.33Å
64	L	93.6	Very high	95.2	Very high	43 Å²	43	88.6 Å²	88.6	23%	0.225	44%	0.442	C	S	.	.			trans	-82.3	135.9	169.4	-103.9	51.3	0	0	0	109.3	Q66 K68 A81	L64-Q66 WeakPolarHBondContact CD2-O 2.87Å; L64-Q66 WeakPolarHBondContact CG-O 3.49Å; L64-K68 HydrophobicContact CD1-CD 4.27Å; L64-K68 HydrophobicContact CD2-CB 4.22Å; L64-K68 HydrophobicContact CD2-CD 3.82Å; L64-K68 HydrophobicContact CD2-CG 3.67Å; L64-K68 HydrophobicContact CG-CD 4.29Å; L64-K68 HydrophobicContact CG-CG 4.3Å; L64-A81 HydrophobicContact CD1-CB 3.8Å
65	T	94.3	Very high	95.2	Very high	149 Å²	149	88.3 Å²	88.3	91%	0.914	45%	0.446	S	S	*	.	S	Bend	trans	-82.8	-38	166.9	44	0	0	0	0	111.4
66	Q	95	Very high	95.2	Very high	148 Å²	148	92.8 Å²	92.8	69%	0.692	47%	0.466	S	S	*	.	S	Bend	trans	-124.8	150.1	179	-67.3	-177.4	-1.1	0	0	111.4	L64	L64-Q66 WeakPolarHBondContact CD2-O 2.87Å; L64-Q66 WeakPolarHBondContact CG-O 3.49Å
67	P	96.1	Very high	95.2	Very high	69 Å²	69	94.5 Å²	94.5	45%	0.448	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-67.3	140.8	177.5	28.1	-34.4	0	0	0	111.8	V78	P67-V78 CarbonylContact C-O 3.4Å; P67-V78 VanDerWaalsContact CA-O 3.25Å; P67-V78 WeakPolarHBondContact CA-O 3.49Å
68	K	95.8	Very high	95.3	Very high	108 Å²	108	89.8 Å²	89.8	47%	0.47	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-94.6	159.2	178.7	-73.4	-178	-175.3	-176.5	0	112.1	L64 K76 T77 V78	L64-K68 HydrophobicContact CD1-CD 4.27Å; L64-K68 HydrophobicContact CD2-CB 4.22Å; L64-K68 HydrophobicContact CD2-CD 3.82Å; L64-K68 HydrophobicContact CD2-CG 3.67Å; L64-K68 HydrophobicContact CG-CD 4.29Å; L64-K68 HydrophobicContact CG-CG 4.3Å; K68-K76 CarbonylContact O-C 3.58Å; K68-K76 WeakPolarHBondContact O-CA 3.48Å; K68-T77 PolarHBondContact O-N 2.94Å; K68-V78 HydrophobicContact CB-CB 4.13Å; K68-V78 PolarHBondContact N-O 3.34Å; K68-V78 WeakPolarHBondContact O-CB 3.21Å; K68-V78 PolarHBondContact O-N 2.91Å; K68-V78 VanDerWaalsContact O-N 3.08Å
69	K	97.4	Very high	95.2	Very high	146 Å²	146	95.7 Å²	95.7	64%	0.635	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-69.4	134.1	171.6	-68.1	-173.5	179	-176.5	0	110.3	Q75 K76	K69-Q75 CarbonylContact C-O 3.54Å; K69-Q75 WeakPolarHBondContact CA-O 3.37Å; K69-K76 HydrophobicContact CG-CG 3.75Å
70	C	97.3	Very high	95.2	Very high	4 Å²	4	92.9 Å²	92.9	3%	0.027	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-78.3	139.5	173.9	178.9	0	0	0	0	111	K72 C73 S74 Q75 V78 C86 C89	C70-K72 VanDerWaalsContact C-N 3.27Å; C70-K72 PolarHBondContact O-N 2.83Å; C70-K72 PolarHBondContact SG-N 3.39Å; C70-C73 WeakPolarHBondContact CB-SG 3.45Å; C70-S74 WeakPolarHBondContact O-CA 3.47Å; C70-S74 PolarHBondContact O-N 2.88Å; C70-Q75 PolarHBondContact N-O 2.91Å; C70-V78 HydrophobicContact CB-CG2 3.86Å; C70-C86 HydrophobicContact CB-CB 3.94Å; C70-C86 PolarHBondContact SG-N 3.34Å; C70-C89 PolarHBondContact SG-SG 3.35Å
71	V	96.1	Very high	95.2	Very high	95 Å²	95	87.5 Å²	87.5	58%	0.576	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.2	176.3	175.7	0	0	0	0	112.9	I84	V71-I84 HydrophobicContact CG2-CB 4.04Å; V71-I84 HydrophobicContact CG2-CG1 4.47Å; V71-I84 WeakPolarHBondContact CG2-O 3.43Å; V71-I84 PolarHBondContact N-O 3Å
72	K	95.1	Very high	95.2	Very high	107 Å²	107	88.8 Å²	88.8	47%	0.465	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-52.2	-175.9	-61.3	-58.4	-173.1	-179.3	0	113.5	C70 V85 C89 L93 I95	C70-K72 VanDerWaalsContact C-N 3.27Å; C70-K72 PolarHBondContact O-N 2.83Å; C70-K72 PolarHBondContact SG-N 3.39Å; K72-V85 HydrophobicContact CG-CG1 3.87Å; K72-V85 HydrophobicContact CG-CG2 4.03Å; K72-C89 HydrophobicContact CB-CB 3.97Å; K72-C89 HydrophobicContact CG-CB 4.39Å; K72-L93 HydrophobicContact CB-CD1 4.42Å; K72-L93 HydrophobicContact CD-CD1 4Å; K72-L93 HydrophobicContact CG-CD1 4.01Å; K72-I95 HydrophobicContact CD-CD1 4.28Å; K72-I95 HydrophobicContact CG-CD1 4.11Å
73	C	95.1	Very high	95.3	Very high	44 Å²	44	81.8 Å²	81.8	30%	0.297	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-5	-179.4	68.2	0	0	0	0	113.8	C70 Q75	C70-C73 WeakPolarHBondContact CB-SG 3.45Å; C73-Q75 PolarHBondContact O-N 3.5Å
74	S	95.8	Very high	95.4	Very high	89 Å²	89	80.7 Å²	80.7	62%	0.622	40%	0.403	S	S	*	.			trans	60.1	1.8	-178.3	-60.1	0	0	0	0	116.1	C70	C70-S74 WeakPolarHBondContact O-CA 3.47Å; C70-S74 PolarHBondContact O-N 2.88Å
75	Q	96	Very high	95.5	Very high	119 Å²	119	78.8 Å²	78.8	56%	0.556	39%	0.393	S	S	*	.	S	Bend	trans	-84.2	154.5	176.4	-62.3	170.4	-0.8	0	0	111.4	K69 C70 C73 T77	K69-Q75 CarbonylContact C-O 3.54Å; K69-Q75 WeakPolarHBondContact CA-O 3.37Å; C70-Q75 PolarHBondContact N-O 2.91Å; C73-Q75 PolarHBondContact O-N 3.5Å; Q75-T77 HydrophobicContact CB-CG2 3.76Å; Q75-T77 PolarHBondContact O-N 3.42Å
76	K	96.1	Very high	95.5	Very high	144 Å²	144	71.8 Å²	71.8	63%	0.626	35%	0.35	S	S	*	.	S	Bend	trans	-76.9	58.5	175.8	-67.4	-176.7	-179.1	179.5	0	112.1	K68 K69	K68-K76 CarbonylContact O-C 3.58Å; K68-K76 WeakPolarHBondContact O-CA 3.48Å; K69-K76 HydrophobicContact CG-CG 3.75Å
77	T	95.7	Very high	95.3	Very high	49 Å²	49	68.2 Å²	68.2	30%	0.301	33%	0.332	S	S	.	.			trans	-106.4	-4.8	-173.2	52.6	0	0	0	0	113.9	K68 Q75 R79 C86	K68-T77 PolarHBondContact O-N 2.94Å; Q75-T77 HydrophobicContact CB-CG2 3.76Å; Q75-T77 PolarHBondContact O-N 3.42Å; T77-R79 PolarHBondContact O-N 3.28Å; T77-C86 WeakPolarHBondContact OG1-CB 3.38Å
78	V	95.9	Very high	95.2	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.018	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-81.2	102.3	-179.6	-176.9	0	0	0	0	109.7	P67 K68 C70 H83 C86	P67-V78 CarbonylContact C-O 3.4Å; P67-V78 VanDerWaalsContact CA-O 3.25Å; P67-V78 WeakPolarHBondContact CA-O 3.49Å; K68-V78 HydrophobicContact CB-CB 4.13Å; K68-V78 PolarHBondContact N-O 3.34Å; K68-V78 WeakPolarHBondContact O-CB 3.21Å; K68-V78 PolarHBondContact O-N 2.91Å; K68-V78 VanDerWaalsContact O-N 3.08Å; C70-V78 HydrophobicContact CB-CG2 3.86Å; V78-H83 HydrophobicContact CG1-CB 3.58Å; V78-H83 WeakPolarHBondContact CG1-O 3.5Å; V78-C86 HydrophobicContact CG2-CB 4.3Å
79	R	93.7	Very high	95	Very high	210 Å²	210	63.6 Å²	63.6	79%	0.792	31%	0.313	S	S	*	.			trans	-90.6	-29.3	179.7	-61.6	-176.3	-176.4	173	1	113.3	T77	T77-R79 PolarHBondContact O-N 3.28Å
80	D	93.3	Very high	94.8	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.123	28%	0.284	C	S	.	.	S	Bend	trans	-84.5	142	-176.8	-68.6	-46.9	0	0	0	112.4	K39 H83 K87	K39-D80 WeakPolarHBondContact CE-OD1 3.44Å; K39-D80 IonicContact NZ-OD1 3.82Å; K39-D80 PolarHBondContact NZ-OD1 3.04Å; D80-H83 HydrophobicContact CB-CB 4.46Å; D80-H83 VanDerWaalsContact CB-CE1 3.49Å; D80-H83 WeakPolarHBondContact CB-CE1 3.35Å; D80-H83 WeakPolarHBondContact CB-ND1 3.38Å; D80-K87 WeakPolarHBondContact OD2-CE 3.04Å; D80-K87 IonicContact OD2-NZ 3.96Å; D80-K87 PolarHBondContact OD2-NZ 2.81Å
81	A	94.5	Very high	94.4	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	146.8	-178.8	0	0	0	0	0	111.9	Y61 K62 L64 H83	Y61-A81 HydrophobicContact CE1-CB 4.43Å; Y61-A81 HydrophobicContact CE2-CB 4.38Å; K62-A81 VanDerWaalsContact O-CB 3.24Å; K62-A81 WeakPolarHBondContact O-CB 3.45Å; L64-A81 HydrophobicContact CD1-CB 3.8Å; A81-H83 PolarHBondContact O-N 3Å; A81-H83 VanDerWaalsContact O-N 3.14Å; A81-H83 PolarHBondContact O-ND1 3.36Å
82	Y	95.4	Very high	94.2	Very high	63 Å²	63	63.7 Å²	63.7	25%	0.247	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	6.9	-177.9	-50	-81.9	0	0	0	115.8	L52 K55 K60 Y61 K62 K98	L52-Y82 HydrophobicContact CD2-CD2 3.71Å; L52-Y82 HydrophobicContact CD2-CG 3.85Å; K55-Y82 HydrophobicContact CD-CE1 4.19Å; K55-Y82 HydrophobicContact CD-CE2 4.12Å; K60-Y82 PolarHBondContact O-OH 3.08Å; Y61-Y82 HydrophobicContact CD2-CD2 4.12Å; Y61-Y82 AromaticContact CD2-CE2 3.65Å; Y61-Y82 HydrophobicContact CD2-CE2 3.65Å; Y61-Y82 AromaticContact CE2-CD2 3.78Å; Y61-Y82 HydrophobicContact CE2-CD2 3.78Å; Y61-Y82 AromaticContact CE2-CE2 3.72Å; Y61-Y82 HydrophobicContact CE2-CE2 3.72Å; Y61-Y82 HydrophobicContact CG-CE2 4.28Å; K62-Y82 PolarHBondContact N-OH 3.49Å; Y82-K98 WeakPolarHBondContact O-CG 3.5Å
83	H	95.3	Very high	93.9	Very high	11 Å²	11	62.5 Å²	62.5	5%	0.051	31%	0.31	C	S	.	.			trans	-85	144.7	172.5	-65.2	52	0	0	0	109.1	V78 D80 A81 C97	V78-H83 HydrophobicContact CG1-CB 3.58Å; V78-H83 WeakPolarHBondContact CG1-O 3.5Å; D80-H83 HydrophobicContact CB-CB 4.46Å; D80-H83 VanDerWaalsContact CB-CE1 3.49Å; D80-H83 WeakPolarHBondContact CB-CE1 3.35Å; D80-H83 WeakPolarHBondContact CB-ND1 3.38Å; A81-H83 PolarHBondContact O-N 3Å; A81-H83 VanDerWaalsContact O-N 3.14Å; A81-H83 PolarHBondContact O-ND1 3.36Å; H83-C97 CarbonylContact C-O 3.59Å; H83-C97 WeakPolarHBondContact CA-O 3.22Å; H83-C97 HydrophobicContact CB-CB 4.35Å; H83-C97 WeakPolarHBondContact CD2-CB 3.36Å
84	I	95.6	Very high	93.6	Very high	69 Å²	69	67.6 Å²	67.6	35%	0.354	33%	0.329	S	S	.	.	S	Bend	trans	-113.1	-23.2	174.4	71.6	176.4	0	0	0	111.3	V71 C97 K98	V71-I84 HydrophobicContact CG2-CB 4.04Å; V71-I84 HydrophobicContact CG2-CG1 4.47Å; V71-I84 WeakPolarHBondContact CG2-O 3.43Å; V71-I84 PolarHBondContact N-O 3Å; I84-C97 PolarHBondContact N-O 3.09Å; I84-K98 VanDerWaalsContact CD1-O 3.27Å; I84-K98 WeakPolarHBondContact CD1-O 3.41Å; I84-K98 WeakPolarHBondContact CG1-O 3.43Å
85	V	95.6	Very high	93.4	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.012	30%	0.301	C	S	.	.	S	Bend	trans	-113	141.5	177.1	-178.8	0	0	0	0	109.2	K72 C89 I95 C97	K72-V85 HydrophobicContact CG-CG1 3.87Å; K72-V85 HydrophobicContact CG-CG2 4.03Å; V85-C89 HydrophobicContact CG1-CB 3.41Å; V85-C89 VanDerWaalsContact CG1-CB 3.41Å; V85-I95 HydrophobicContact CG1-CD1 4.05Å; V85-I95 HydrophobicContact CG1-CG1 4.37Å; V85-I95 HydrophobicContact CG2-CD1 4.05Å; V85-C97 PolarHBondContact N-O 2.74Å
86	C	94.6	Very high	93.3	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.02	27%	0.274	C	S	.	.			trans	-71.5	150.7	177	87.9	0	0	0	0	111.3	C70 T77 V78 P88 C89 S90	C70-C86 HydrophobicContact CB-CB 3.94Å; C70-C86 PolarHBondContact SG-N 3.34Å; T77-C86 WeakPolarHBondContact OG1-CB 3.38Å; V78-C86 HydrophobicContact CG2-CB 4.3Å; C86-P88 HydrophobicContact CB-CG 4.5Å; C86-P88 WeakPolarHBondContact SG-CD 3.34Å; C86-P88 WeakPolarHBondContact SG-CG 2.93Å; C86-C89 HydrophobicContact CB-CB 4.22Å; C86-C89 WeakPolarHBondContact CB-SG 3.45Å; C86-C89 WeakPolarHBondContact O-CB 3.27Å; C86-C89 PolarHBondContact O-N 3.21Å; C86-C89 VanDerWaalsContact O-N 3.14Å; C86-C89 WeakPolarHBondContact SG-CB 3.36Å; C86-C89 PolarHBondContact SG-N 3.27Å; C86-C89 CovalentContact SG-SG 2.07Å; C86-C89 PolarHBondContact SG-SG 2.94Å; C86-S90 PolarHBondContact O-N 3.15Å
87	K	92.3	Very high	93.2	Very high	73 Å²	73	51 Å²	51	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-50.1	-50	175.3	-75.8	-171.2	-176.9	-163.9	0	114	D42 D80 C89 S90 L91 V109	D42-K87 IonicContact OD2-NZ 2.67Å; D80-K87 WeakPolarHBondContact OD2-CE 3.04Å; D80-K87 IonicContact OD2-NZ 3.96Å; D80-K87 PolarHBondContact OD2-NZ 2.81Å; K87-C89 VanDerWaalsContact C-N 3.31Å; K87-C89 PolarHBondContact O-N 2.91Å; K87-S90 WeakPolarHBondContact O-CB 3.47Å; K87-S90 PolarHBondContact O-N 3.49Å; K87-L91 PolarHBondContact O-N 3.47Å; K87-V109 HydrophobicContact CB-CG1 3.85Å; K87-V109 HydrophobicContact CD-CG1 3.77Å; K87-V109 HydrophobicContact CG-CG1 3.88Å
88	P	92.8	Very high	93.1	Very high	73 Å²	73	51.1 Å²	51.1	47%	0.474	24%	0.241	S	C	.	.	H	α-helix	trans	-65.6	-35.4	179.7	16.7	-23.2	0	0	0	112.7	C86 S90 L91 Q92	C86-P88 HydrophobicContact CB-CG 4.5Å; C86-P88 WeakPolarHBondContact SG-CD 3.34Å; C86-P88 WeakPolarHBondContact SG-CG 2.93Å; P88-S90 VanDerWaalsContact C-N 3.32Å; P88-S90 PolarHBondContact O-N 3.29Å; P88-L91 PolarHBondContact O-N 3.27Å; P88-Q92 VanDerWaalsContact O-CG 3.32Å; P88-Q92 WeakPolarHBondContact O-CG 3.17Å; P88-Q92 PolarHBondContact O-N 3.41Å
89	C	92.6	Very high	93	Very high	7 Å²	7	53 Å²	53	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-36.7	176.1	-49.5	0	0	0	0	112	C70 K72 V85 C86 K87 L93	C70-C89 PolarHBondContact SG-SG 3.35Å; K72-C89 HydrophobicContact CB-CB 3.97Å; K72-C89 HydrophobicContact CG-CB 4.39Å; V85-C89 HydrophobicContact CG1-CB 3.41Å; V85-C89 VanDerWaalsContact CG1-CB 3.41Å; C86-C89 HydrophobicContact CB-CB 4.22Å; C86-C89 WeakPolarHBondContact CB-SG 3.45Å; C86-C89 WeakPolarHBondContact O-CB 3.27Å; C86-C89 PolarHBondContact O-N 3.21Å; C86-C89 VanDerWaalsContact O-N 3.14Å; C86-C89 WeakPolarHBondContact SG-CB 3.36Å; C86-C89 PolarHBondContact SG-N 3.27Å; C86-C89 CovalentContact SG-SG 2.07Å; C86-C89 PolarHBondContact SG-SG 2.94Å; K87-C89 VanDerWaalsContact C-N 3.31Å; K87-C89 PolarHBondContact O-N 2.91Å; C89-L93 WeakPolarHBondContact O-CB 3.31Å; C89-L93 WeakPolarHBondContact O-CG 3.48Å; C89-L93 PolarHBondContact O-N 3.17Å
90	S	92.1	Very high	92.9	Very high	2 Å²	2	44 Å²	44	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-40.3	177.4	168.1	0	0	0	0	111.3	C86 K87 P88 E94 I95 C97	C86-S90 PolarHBondContact O-N 3.15Å; K87-S90 WeakPolarHBondContact O-CB 3.47Å; K87-S90 PolarHBondContact O-N 3.49Å; P88-S90 VanDerWaalsContact C-N 3.32Å; P88-S90 PolarHBondContact O-N 3.29Å; S90-E94 WeakPolarHBondContact O-CA 3.45Å; S90-E94 PolarHBondContact O-N 3.17Å; S90-I95 VanDerWaalsContact CB-O 3.32Å; S90-I95 WeakPolarHBondContact CB-O 3.25Å; S90-I95 PolarHBondContact O-N 3.21Å; S90-I95 PolarHBondContact OG-O 2.78Å; S90-C97 WeakPolarHBondContact CB-SG 3.14Å; S90-C97 PolarHBondContact OG-SG 2.78Å
91	L	89.3	Confident	92.7	Very high	84 Å²	84	48.8 Å²	48.8	44%	0.44	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-47.3	175.1	-77.6	172.8	0	0	0	112.6	K87 P88 L93 V109	K87-L91 PolarHBondContact O-N 3.47Å; P88-L91 PolarHBondContact O-N 3.27Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 2.67Å; L91-V109 HydrophobicContact CD1-CB 3.98Å; L91-V109 HydrophobicContact CD1-CG1 4.02Å; L91-V109 HydrophobicContact CD2-CB 3.62Å; L91-V109 HydrophobicContact CD2-CG2 4.23Å; L91-V109 HydrophobicContact CG-CB 3.72Å; L91-V109 HydrophobicContact CG-CG1 4.19Å; L91-V109 HydrophobicContact CG-CG2 4.3Å
92	Q	90.8	Very high	92.1	Very high	160 Å²	160	57.1 Å²	57.1	75%	0.748	28%	0.282	S	S	*	.	H	α-helix	trans	-67.5	-32.5	-177.6	-72	171.3	-6	0	0	113.5	P88	P88-Q92 VanDerWaalsContact O-CG 3.32Å; P88-Q92 WeakPolarHBondContact O-CG 3.17Å; P88-Q92 PolarHBondContact O-N 3.41Å
93	L	89.6	Confident	91.1	Very high	83 Å²	83	57.9 Å²	57.9	44%	0.435	29%	0.288	S	S	.	.	H	α-helix	trans	-107.1	-2.4	-174.3	-61	175.8	0	0	0	113.3	K72 C89 L91 I95	K72-L93 HydrophobicContact CB-CD1 4.42Å; K72-L93 HydrophobicContact CD-CD1 4Å; K72-L93 HydrophobicContact CG-CD1 4.01Å; C89-L93 WeakPolarHBondContact O-CB 3.31Å; C89-L93 WeakPolarHBondContact O-CG 3.48Å; C89-L93 PolarHBondContact O-N 3.17Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 2.67Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 HydrophobicContact CB-CD1 4.07Å; L93-I95 HydrophobicContact CB-CG1 4.03Å; L93-I95 HydrophobicContact CB-CG2 4.37Å; L93-I95 HydrophobicContact CD1-CD1 4.1Å; L93-I95 WeakPolarHBondContact O-CG2 3.24Å; L93-I95 PolarHBondContact O-N 2.99Å
94	E	88.5	Confident	89.7	Confident	150 Å²	150	64.6 Å²	64.6	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	50	-176.1	-61.1	178.8	169.3	0	0	112.6	S90	S90-E94 WeakPolarHBondContact O-CA 3.45Å; S90-E94 PolarHBondContact O-N 3.17Å
95	I	91.8	Very high	88.5	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.026	32%	0.319	C	S	.	.			trans	-119.2	149.5	-180	57	179.8	0	0	0	112.2	K72 V85 S90 L93 C97 K101 K102	K72-I95 HydrophobicContact CD-CD1 4.28Å; K72-I95 HydrophobicContact CG-CD1 4.11Å; V85-I95 HydrophobicContact CG1-CD1 4.05Å; V85-I95 HydrophobicContact CG1-CG1 4.37Å; V85-I95 HydrophobicContact CG2-CD1 4.05Å; S90-I95 VanDerWaalsContact CB-O 3.32Å; S90-I95 WeakPolarHBondContact CB-O 3.25Å; S90-I95 PolarHBondContact O-N 3.21Å; S90-I95 PolarHBondContact OG-O 2.78Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 HydrophobicContact CB-CD1 4.07Å; L93-I95 HydrophobicContact CB-CG1 4.03Å; L93-I95 HydrophobicContact CB-CG2 4.37Å; L93-I95 HydrophobicContact CD1-CD1 4.1Å; L93-I95 WeakPolarHBondContact O-CG2 3.24Å; L93-I95 PolarHBondContact O-N 2.99Å; I95-C97 PolarHBondContact O-N 3.31Å; I95-K101 WeakPolarHBondContact CA-O 3.42Å; I95-K102 HydrophobicContact CG2-CG 3.61Å
96	C	93.8	Very high	86.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.337	C	S	.	.			trans	-61.8	131.4	174.5	171.7	0	0	0	0	111.7	C45 K98 C99 G100 K101	C45-C96 HydrophobicContact CB-CB 4.2Å; C45-C96 PolarHBondContact N-SG 3.16Å; C45-C96 VanDerWaalsContact N-SG 3.4Å; C96-K98 PolarHBondContact O-N 3.19Å; C96-K98 VanDerWaalsContact O-N 3.17Å; C96-K98 PolarHBondContact SG-N 3.42Å; C96-C99 WeakPolarHBondContact CB-SG 3.48Å; C96-C99 PolarHBondContact SG-SG 3.01Å; C96-G100 VanDerWaalsContact O-CA 3.27Å; C96-G100 WeakPolarHBondContact O-CA 3.4Å; C96-G100 PolarHBondContact O-N 3.3Å; C96-K101 PolarHBondContact N-O 3.43Å
97	C	93.6	Very high	85.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.2	-177.7	-61.5	0	0	0	0	114.1	G43 L44 H83 I84 V85 S90 I95	G43-C97 PolarHBondContact O-N 3.18Å; G43-C97 PolarHBondContact O-SG 2.9Å; G43-C97 VanDerWaalsContact O-SG 3.32Å; L44-C97 HydrophobicContact CD2-CB 4.01Å; H83-C97 CarbonylContact C-O 3.59Å; H83-C97 WeakPolarHBondContact CA-O 3.22Å; H83-C97 HydrophobicContact CB-CB 4.35Å; H83-C97 WeakPolarHBondContact CD2-CB 3.36Å; I84-C97 PolarHBondContact N-O 3.09Å; V85-C97 PolarHBondContact N-O 2.74Å; S90-C97 WeakPolarHBondContact CB-SG 3.14Å; S90-C97 PolarHBondContact OG-SG 2.78Å; I95-C97 PolarHBondContact O-N 3.31Å
98	K	94.3	Very high	83.5	Confident	51 Å²	51	69.7 Å²	69.7	22%	0.222	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-46.1	-177.5	177.2	167.1	-172.7	-61	0	113.7	L44 C48 L52 Y82 I84 C96	L44-K98 HydrophobicContact CD2-CB 3.58Å; C48-K98 HydrophobicContact CB-CB 4.07Å; C48-K98 HydrophobicContact CB-CD 3.91Å; C48-K98 HydrophobicContact CB-CG 4.3Å; L52-K98 HydrophobicContact CD2-CD 4.21Å; L52-K98 HydrophobicContact CG-CD 4.35Å; Y82-K98 WeakPolarHBondContact O-CG 3.5Å; I84-K98 VanDerWaalsContact CD1-O 3.27Å; I84-K98 WeakPolarHBondContact CD1-O 3.41Å; I84-K98 WeakPolarHBondContact CG1-O 3.43Å; C96-K98 PolarHBondContact O-N 3.19Å; C96-K98 VanDerWaalsContact O-N 3.17Å; C96-K98 PolarHBondContact SG-N 3.42Å
99	C	94	Very high	81.8	Confident	42 Å²	42	66.7 Å²	66.7	28%	0.284	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-12.9	-176.7	63.1	0	0	0	0	113.9	C96 K101	C96-C99 WeakPolarHBondContact CB-SG 3.48Å; C96-C99 PolarHBondContact SG-SG 3.01Å; C99-K101 HydrophobicContact CB-CG 4.33Å; C99-K101 PolarHBondContact O-N 2.87Å
100	G	90.5	Very high	79.8	Confident	22 Å²	22	71 Å²	71	23%	0.227	36%	0.362	C	S	.	.			trans	68.4	10.2	179.9	0	0	0	0	0	114.8	C96	C96-G100 VanDerWaalsContact O-CA 3.27Å; C96-G100 WeakPolarHBondContact O-CA 3.4Å; C96-G100 PolarHBondContact O-N 3.3Å
101	K	90.1	Very high	78	Confident	123 Å²	123	75 Å²	75	54%	0.535	39%	0.39	S	S	.	.			trans	-86.7	150	176.3	-60.1	-178.7	179.9	-175.3	0	110.9	I95 C96 C99 E103	I95-K101 WeakPolarHBondContact CA-O 3.42Å; C96-K101 PolarHBondContact N-O 3.43Å; C99-K101 HydrophobicContact CB-CG 4.33Å; C99-K101 PolarHBondContact O-N 2.87Å; K101-E103 HydrophobicContact CB-CG 4.13Å; K101-E103 WeakPolarHBondContact CD-OE1 3.43Å; K101-E103 IonicContact NZ-OE1 2.73Å; K101-E103 PolarHBondContact O-N 3.24Å
102	K	82.3	Confident	76.2	Confident	177 Å²	177	76 Å²	76	77%	0.77	39%	0.392	S	S	*	.			trans	-81.2	89	167.3	-63.5	-177.8	179.7	-168	0	107.6	I95	I95-K102 HydrophobicContact CG2-CG 3.61Å
103	E	73.7	Confident	74.4	Confident	79 Å²	79	73.3 Å²	73.3	37%	0.369	38%	0.382	S	S	.	.			trans	-131.2	154	174.8	-72.4	173.5	-170.1	0	0	106.6	C45 K101 I105	C45-E103 HydrophobicContact CB-CB 3.89Å; C45-E103 WeakPolarHBondContact CB-OE2 3.17Å; C45-E103 PolarHBondContact SG-OE2 3.34Å; K101-E103 HydrophobicContact CB-CG 4.13Å; K101-E103 WeakPolarHBondContact CD-OE1 3.43Å; K101-E103 IonicContact NZ-OE1 2.73Å; K101-E103 PolarHBondContact O-N 3.24Å; E103-I105 WeakPolarHBondContact O-CG1 3.15Å; E103-I105 PolarHBondContact O-N 3.34Å
104	D	66.3	Low	72.4	Confident	151 Å²	151	75.8 Å²	75.8	81%	0.807	40%	0.396	S	S	*	.			trans	-49.9	114.6	-178.5	-64.5	-34	0	0	0	111.6
105	I	70.7	Confident	70.5	Confident	50 Å²	50	76.6 Å²	76.6	26%	0.256	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-87.8	116.9	179.2	-57.1	178.1	0	0	0	107.5	E103	E103-I105 WeakPolarHBondContact O-CG1 3.15Å; E103-I105 PolarHBondContact O-N 3.34Å
106	I	60.1	Low	68.4	Low	74 Å²	74	83.5 Å²	83.5	38%	0.379	43%	0.427	S	S	.	.	S	Bend	trans	-76.7	-26.8	-169.4	-63.5	153.9	0	0	0	113	L44 Q46 K49	L44-I106 PolarHBondContact O-N 3.42Å; Q46-I106 HydrophobicContact CB-CD1 3.54Å; Q46-I106 VanDerWaalsContact CD-CD1 3.46Å; Q46-I106 HydrophobicContact CG-CD1 4.05Å; K49-I106 HydrophobicContact CD-CD1 4.34Å
107	I	58.9	Low	66.3	Low	35 Å²	35	90.6 Å²	90.6	18%	0.179	46%	0.46	C	S	.	.	S	Bend	trans	-129.3	106.6	-178.9	-52.9	176.3	0	0	0	107.4	D42 G43 V109	D42-I107 HydrophobicContact CB-CG2 4.42Å; G43-I107 PolarHBondContact N-O 3.2Å; G43-I107 VanDerWaalsContact N-O 3.08Å; I107-V109 PolarHBondContact O-N 2.91Å
108	P	58.8	Low	64.1	Low	95 Å²	95	98.6 Å²	98.6	62%	0.617	50%	0.497	S	S	*	.			trans	-53.4	134.5	170.9	-23.6	33.3	0	0	0	109.7	N110	P108-N110 PolarHBondContact O-N 3.45Å
109	V	55.7	Low	61.9	Low	10 Å²	10	103.7 Å²	103.7	6%	0.061	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	81.1	179.7	-177.9	0	0	0	0	108.1	G43 K87 L91 I107	G43-V109 VanDerWaalsContact CA-CG2 3.48Å; K87-V109 HydrophobicContact CB-CG1 3.85Å; K87-V109 HydrophobicContact CD-CG1 3.77Å; K87-V109 HydrophobicContact CG-CG1 3.88Å; L91-V109 HydrophobicContact CD1-CB 3.98Å; L91-V109 HydrophobicContact CD1-CG1 4.02Å; L91-V109 HydrophobicContact CD2-CB 3.62Å; L91-V109 HydrophobicContact CD2-CG2 4.23Å; L91-V109 HydrophobicContact CG-CB 3.72Å; L91-V109 HydrophobicContact CG-CG1 4.19Å; L91-V109 HydrophobicContact CG-CG2 4.3Å; I107-V109 PolarHBondContact O-N 2.91Å
110	N	51.8	Low	59.7	Low	98 Å²	98	106.8 Å²	106.8	52%	0.524	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	177.1	-0.7	159.2	-102.4	15.4	0	0	0	116.6	P108 H112 L113	P108-N110 PolarHBondContact O-N 3.45Å; N110-H112 PolarHBondContact O-N 3.38Å; N110-L113 PolarHBondContact O-N 3.01Å; N110-L113 WeakPolarHBondContact OD1-CD1 3.38Å
111	S	52.6	Low	57.7	Low	86 Å²	86	112.4 Å²	112.4	60%	0.601	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	8.7	-171.7	64.4	0	0	0	0	116.9
112	H	52.8	Low	55.6	Low	104 Å²	104	114.7 Å²	114.7	48%	0.481	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-128.1	3	-177.4	-157.4	-69.7	0	0	0	114	I40 N110	I40-H112 VanDerWaalsContact CD1-CD2 3.48Å; I40-H112 WeakPolarHBondContact CD1-CD2 3.49Å; N110-H112 PolarHBondContact O-N 3.38Å
113	L	52.2	Low	54.1	Low	105 Å²	105	115.3 Å²	115.3	55%	0.55	57%	0.571	S	S	.	*	S	Bend	trans	-77.3	-29.5	174.5	-71.7	173.3	0	0	0	111.9	N110 K115	N110-L113 PolarHBondContact O-N 3.01Å; N110-L113 WeakPolarHBondContact OD1-CD1 3.38Å; L113-K115 VanDerWaalsContact C-N 3.27Å; L113-K115 PolarHBondContact O-N 2.95Å; L113-K115 VanDerWaalsContact O-N 3.15Å
114	D	47.2	Very low	53	Low	134 Å²	134	120 Å²	120	72%	0.717	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	0.3	-173.9	-53.7	-50.6	0	0	0	115.5
115	K	49.3	Very low	51.7	Low	167 Å²	167	121.9 Å²	121.9	73%	0.726	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-9.4	-177.1	-75	-174.5	177.9	-179.8	0	115.5	L113	L113-K115 VanDerWaalsContact C-N 3.27Å; L113-K115 PolarHBondContact O-N 2.95Å; L113-K115 VanDerWaalsContact O-N 3.15Å
116	K	48.3	Very low	50.4	Low	150 Å²	150	122.8 Å²	122.8	65%	0.652	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-14.8	-176	-159.5	173.1	179.9	-172.3	0	113.3	E118	K116-E118 VanDerWaalsContact C-N 3.35Å
117	E	49.8	Very low	49.6	Very low	150 Å²	150	128.6 Å²	128.6	70%	0.701	64%	0.639	S	S	*	*	H	α-helix	trans	-78.3	-18.6	-178.3	-64.2	-175.4	174.2	0	0	112.9
118	E	46.7	Very low	48.8	Very low	167 Å²	167	132.2 Å²	132.2	78%	0.78	67%	0.667	S	S	*	*	H	α-helix	trans	-84.1	-25.1	179.3	-66.2	-167.5	165.2	0	0	114.5	K116	K116-E118 VanDerWaalsContact C-N 3.35Å
119	E	48.4	Very low	47.8	Very low	159 Å²	159	139.9 Å²	139.9	74%	0.743	68%	0.684	S	S	*	*	H	α-helix	trans	-85.9	-18.2	-177.3	-93.6	-173.4	157.9	0	0	114.5
120	D	48.2	Very low	46.7	Very low	106 Å²	106	143 Å²	143	57%	0.567	72%	0.718	S	S	*	*	H	α-helix	trans	-90	-23.2	-175.1	-131	-72.8	0	0	0	112.9
121	E	47.2	Very low	46	Very low	140 Å²	140	147 Å²	147	65%	0.654	73%	0.73	S	S	*	*	S	Bend	trans	-74	-26.8	179.3	-90.6	-81.3	135.1	0	0	113.3
122	E	47.6	Very low	45.3	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.804	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-81	-22.7	-174.5	-147.5	177.1	-172.1	0	0	113.2
123	K	50.7	Low	44.4	Very low	189 Å²	189	154.6 Å²	154.6	82%	0.822	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-82.4	-12.9	-177.8	-79.2	-173.7	178.2	179.2	0	115.2
124	K	49	Very low	44	Very low	179 Å²	179	158.2 Å²	158.2	78%	0.778	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-90.9	-3.8	-176.1	-77.1	-169.3	179.4	176.4	0	115.7
125	K	40.3	Very low	43.7	Very low	189 Å²	189	161 Å²	161	82%	0.822	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-97.7	2.5	-178.4	-77.3	-176.1	178	170.6	0	115.7
126	G	42.2	Very low	43.4	Very low	70 Å²	70	159.1 Å²	159.1	72%	0.722	78%	0.778	S	S	*	*	S	Bend	trans	-105.4	5.9	-167.4	0	0	0	0	0	118.9
127	Q	44.5	Very low	43	Very low	196 Å²	196	162.2 Å²	162.2	92%	0.916	79%	0.791	S	S	*	*			trans	-137.4	81.3	-174.9	-117.4	178.7	-5.9	0	0	112.9
128	S	41.5	Very low	42.8	Very low	110 Å²	110	161.3 Å²	161.3	77%	0.769	79%	0.791	S	S	*	*			trans	-158.3	142.7	151.4	55.2	0	0	0	0	110.5
129	R	36.8	Very low	42.8	Very low	256 Å²	256	159 Å²	159	97%	0.966	79%	0.793	S	S	*	*			trans	89.2	113.8	-172.2	-53.5	170.3	91.1	134.3	3.5	112.8
130	G	34.2	Very low	42.9	Very low	75 Å²	75	158 Å²	158	77%	0.773	79%	0.793	S	S	*	*			cis	160.7	149.3	0.3	0	0	0	0	0	109.4
131	K	36	Very low	42.9	Very low	183 Å²	183	159.9 Å²	159.9	80%	0.796	80%	0.803	S	S	*	*			trans	79.7	111.3	151.4	-146.7	170.9	-177.2	-174.2	0	120.9
132	E	37.7	Very low	43	Very low	156 Å²	156	159.4 Å²	159.4	73%	0.729	81%	0.805	S	S	*	*			trans	30.1	128.9	135.8	-56.5	158.9	179.5	0	0	120.4
133	E	34.8	Very low	43.2	Very low	194 Å²	194	157.5 Å²	157.5	91%	0.907	80%	0.801	S	S	*	*				-178.6	164.8	120.1	-92.4	166.5	-147	0	0	109.8
134	E	43.1	Very low	43.1	Very low	180 Å²	180	155.8 Å²	155.8	84%	0.841	80%	0.8	S	S	*	*			trans	-95.5	160.7	-147.8	-48.4	176.5	-174.1	0	0	112.8
135	E	40.6	Very low	43.3	Very low	192 Å²	192	153.9 Å²	153.9	90%	0.897	80%	0.799	S	S	*	*			trans	164.9	108.7	136.5	-88.3	177.5	-152.8	0	0	112.9
136	D	44.3	Very low	43.8	Very low	129 Å²	129	152.2 Å²	152.2	69%	0.69	80%	0.799	S	S	*	*				41.2	112.4	127.9	-135.4	-4.6	0	0	0	120.8
137	F	40.3	Very low	44.3	Very low	214 Å²	214	155.8 Å²	155.8	94%	0.939	80%	0.802	S	S	*	*			trans	-158	105.5	137.9	-127.9	-90.4	0	0	0	110.2
138	N	45.4	Very low	44.4	Very low	132 Å²	132	154.9 Å²	154.9	71%	0.706	80%	0.795	S	S	*	*			trans	-68.7	136.5	167.6	-70.5	-63.6	0	0	0	110.8
139	S	45.4	Very low	44.6	Very low	117 Å²	117	154.7 Å²	154.7	82%	0.818	79%	0.785	S	S	*	*			trans	-150.1	107	141.7	-166.4	0	0	0	0	107.7
140	D	50.2	Low	45.4	Very low	140 Å²	140	149.6 Å²	149.6	75%	0.749	78%	0.777	S	S	*	*			trans	-45.4	141.6	151.5	-79	-66	0	0	0	110.3
141	D	49.7	Very low	46.1	Very low	144 Å²	144	153.1 Å²	153.1	77%	0.77	78%	0.777	S	S	*	*				-175	105.1	127	-120.8	-100.4	0	0	0	109.2
142	D	49.4	Very low	46.4	Very low	130 Å²	130	152 Å²	152	70%	0.695	78%	0.775	S	S	*	*			trans	56.3	115.9	135.2	-63.4	-30.8	0	0	0	122.4
143	D	51.1	Low	46.7	Very low	133 Å²	133	151.4 Å²	151.4	71%	0.711	78%	0.777	S	S	*	*				29.5	116.1	122.8	-86.6	-57.6	0	0	0	118.8
144	D	48.6	Very low	47.3	Very low	152 Å²	152	150.8 Å²	150.8	81%	0.813	77%	0.774	S	S	*	*				-152.1	103	127	-123.9	-46.5	0	0	0	109.2
145	D	53.3	Low	47.3	Very low	139 Å²	139	148.5 Å²	148.5	74%	0.743	76%	0.763	S	S	*	*			trans	-69.9	115.2	161.3	-91.8	-40.8	0	0	0	108.7
146	D	49.9	Very low	47	Very low	154 Å²	154	146.6 Å²	146.6	82%	0.824	76%	0.759	S	S	*	*			trans	-128.1	85.9	158.6	-94.1	-43.8	0	0	0	109
147	D	53.4	Low	47	Very low	146 Å²	146	146.2 Å²	146.2	78%	0.781	76%	0.757	S	S	*	*			trans	-76.3	116.3	159.3	-175.9	27.4	0	0	0	108.5
148	F	46.9	Very low	46.9	Very low	177 Å²	177	144.3 Å²	144.3	78%	0.776	76%	0.756	S	S	*	*			trans	-146	90.6	163.3	-164.3	-105.1	0	0	0	112.2
149	D	46.3	Very low	46.5	Very low	106 Å²	106	144.9 Å²	144.9	57%	0.567	76%	0.759	S	S	*	*			trans	47.8	94.9	132.6	-80.6	-36.1	0	0	0	119.5	L151	D149-L151 PolarHBondContact O-N 2.99Å
150	N	53.8	Low	46.4	Very low	149 Å²	149	144 Å²	144	80%	0.797	75%	0.752	S	S	*	*				-21	109	128.9	-177.1	53	0	0	0	115.1
151	L	46.9	Very low	45.8	Very low	148 Å²	148	147 Å²	147	78%	0.775	76%	0.759	S	S	*	*			trans	-120.1	102.7	161.1	-116.2	109.1	0	0	0	111	D149	D149-L151 PolarHBondContact O-N 2.99Å
152	E	43.8	Very low	45.5	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.752	76%	0.763	S	S	*	*			trans	32.8	107	139.7	-69.6	177.1	163.7	0	0	119.8	E154	E152-E154 PolarHBondContact O-N 3.37Å
153	D	44.3	Very low	44.9	Very low	143 Å²	143	152.2 Å²	152.2	77%	0.765	77%	0.772	S	S	*	*			trans	-19.3	108.1	130.9	-152.4	153.6	0	0	0	114.9
154	E	45.5	Very low	44.1	Very low	180 Å²	180	153.4 Å²	153.4	84%	0.841	78%	0.778	S	S	*	*			trans	-112.9	98.5	154.6	-89.6	-162.5	118.3	0	0	109.5	E152	E152-E154 PolarHBondContact O-N 3.37Å
155	Q	43.2	Very low	43.4	Very low	133 Å²	133	151 Å²	151	62%	0.621	77%	0.773	S	S	*	*			trans	-76.2	108	163.2	-175.4	86.1	46	0	0	109.1	D157	Q155-D157 WeakPolarHBondContact CG-OD2 3.38Å; Q155-D157 PolarHBondContact NE2-OD2 3.05Å
156	D	35.7	Very low	42.8	Very low	151 Å²	151	150.5 Å²	150.5	81%	0.807	78%	0.777	S	S	*	*			trans	-104.7	95.7	161.9	-94.3	-26.2	0	0	0	109.7
157	D	44.7	Very low	42.4	Very low	122 Å²	122	152.8 Å²	152.8	65%	0.652	78%	0.78	S	S	*	*			trans	-91.4	114.6	163.9	-86.5	-65.4	0	0	0	110	Q155	Q155-D157 WeakPolarHBondContact CG-OD2 3.38Å; Q155-D157 PolarHBondContact NE2-OD2 3.05Å
158	L	38	Very low	41.7	Very low	174 Å²	174	154 Å²	154	91%	0.911	78%	0.778	S	S	*	*			trans	-139.7	90.9	159.2	-85.3	173.1	0	0	0	113
159	D	36.4	Very low	41.4	Very low	143 Å²	143	150.3 Å²	150.3	77%	0.765	77%	0.774	S	S	*	*			trans	25.5	125.3	137.6	-122.8	-77.6	0	0	0	124.5
160	S	43.5	Very low	41.2	Very low	98 Å²	98	152.1 Å²	152.1	69%	0.685	78%	0.779	S	S	*	*			trans	26.1	127.9	138.8	-47.2	0	0	0	0	123.4
161	K	38.4	Very low	40.9	Very low	205 Å²	205	152 Å²	152	89%	0.891	78%	0.778	S	S	*	*				-167.8	130.7	110.3	-116.6	157.8	-177.1	158.7	0	115.2
162	Q	42.2	Very low	40.8	Very low	180 Å²	180	154.5 Å²	154.5	84%	0.841	78%	0.782	S	S	*	*			trans	-51.4	139.5	165.6	-59.9	159.5	-37	0	0	112.6
163	K	37.4	Very low	40.9	Very low	203 Å²	203	152.3 Å²	152.3	88%	0.883	78%	0.782	S	S	*	*			trans	-153.2	110.9	139.1	-69.2	-162	-179	170.9	0	112.1
164	N	34.1	Very low	41	Very low	158 Å²	158	151.7 Å²	151.7	85%	0.845	78%	0.779	S	S	*	*			trans	33.8	129.2	140.1	-65.3	-11.1	0	0	0	122.2
165	S	34.2	Very low	41.3	Very low	101 Å²	101	149.8 Å²	149.8	71%	0.706	78%	0.779	S	S	*	*			trans	-53.6	167.8	162.3	64.8	0	0	0	0	114.9
166	P	40.9	Very low	41.4	Very low	129 Å²	129	147.4 Å²	147.4	84%	0.838	78%	0.777	S	S	*	*				-138.8	160.7	85.5	32.6	-15.1	0	0	0	115.7
167	K	40	Very low	42.1	Very low	201 Å²	201	147.1 Å²	147.1	87%	0.874	78%	0.775	S	S	*	*			trans	-60.9	143.9	179.6	-57.2	164.5	-179.4	174	0	112.2
168	K	38.9	Very low	42.2	Very low	171 Å²	171	149.4 Å²	149.4	74%	0.743	79%	0.786	S	S	*	*			trans	-144	113.3	147.4	-161.1	172.3	-176.4	-157.9	0	111.3	E170	K168-E170 WeakPolarHBondContact CE-OE1 3.31Å; K168-E170 IonicContact NZ-OE1 3.5Å; K168-E170 PolarHBondContact NZ-OE1 3.02Å
169	S	41.7	Very low	42.7	Very low	100 Å²	100	148.1 Å²	148.1	70%	0.699	78%	0.78	S	S	*	*			trans	-91.6	127.2	169.2	48.2	0	0	0	0	109.5
170	E	41.8	Very low	43.6	Very low	144 Å²	144	147.8 Å²	147.8	67%	0.673	78%	0.783	S	S	*	*			trans	-144.2	95.9	158.4	-67.5	-170.7	178.1	0	0	106	K168	K168-E170 WeakPolarHBondContact CE-OE1 3.31Å; K168-E170 IonicContact NZ-OE1 3.5Å; K168-E170 PolarHBondContact NZ-OE1 3.02Å
171	I	47.4	Very low	44.2	Very low	148 Å²	148	152.2 Å²	152.2	76%	0.759	79%	0.79	S	S	*	*				68.7	99.2	88.8	-60.3	159.3	0	0	0	111
172	F	45.2	Very low	44.6	Very low	200 Å²	200	153.6 Å²	153.6	88%	0.877	81%	0.807	S	S	*	*			trans	-75.7	135	160.3	-75.4	-92.5	0	0	0	108.7	D174	F172-D174 PolarHBondContact O-N 3.13Å
173	P	46.2	Very low	44.7	Very low	114 Å²	114	152.3 Å²	152.3	74%	0.74	81%	0.805	S	S	*	*			trans	-75	114.5	168.4	27.2	-29.5	0	0	0	110.5
174	D	46	Very low	45.1	Very low	131 Å²	131	149.6 Å²	149.6	70%	0.701	80%	0.801	S	S	*	*			trans	-68.9	122.2	162.7	-178.9	7.3	0	0	0	108.9	F172 S176	F172-D174 PolarHBondContact O-N 3.13Å; D174-S176 PolarHBondContact OD1-N 3.43Å; D174-S176 PolarHBondContact OD1-OG 3.35Å
175	V	50.9	Low	45.7	Very low	140 Å²	140	149.2 Å²	149.2	85%	0.848	80%	0.799	S	S	*	*			trans	-123.2	74.2	170.6	-171.4	0	0	0	0	107.6
176	S	46.2	Very low	46.4	Very low	83 Å²	83	152 Å²	152	58%	0.58	80%	0.804	S	S	*	*			trans	-127.8	105.4	157.2	57	0	0	0	0	107.6	D174	D174-S176 PolarHBondContact OD1-N 3.43Å; D174-S176 PolarHBondContact OD1-OG 3.35Å
177	L	49.4	Very low	46.8	Very low	144 Å²	144	153.4 Å²	153.4	75%	0.754	80%	0.802	S	S	*	*			trans	166.1	86.7	151.4	-89.1	171.3	0	0	0	109.3
178	L	46.3	Very low	47.2	Very low	171 Å²	171	150.3 Å²	150.3	90%	0.895	80%	0.798	S	S	*	*			trans	-123.3	88.7	148.9	-72.7	178.1	0	0	0	107
179	N	49.6	Very low	47.8	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	80%	0.801	S	S	*	*			trans	-76.9	116.7	155.2	-76.3	-15.7	0	0	0	106.9
180	V	55.8	Low	48.3	Very low	136 Å²	136	152.5 Å²	152.5	82%	0.824	81%	0.809	S	S	*	*			trans	-109.2	121.5	156.7	178.2	0	0	0	0	106.3
181	K	55	Low	48.8	Very low	190 Å²	190	153.3 Å²	153.3	83%	0.826	82%	0.821	S	S	*	*			trans	-118.4	111.9	170.6	-132.7	164.6	-178.4	174.5	0	105.3
182	D	47.6	Very low	48.9	Very low	235 Å²	235	153.7 Å²	153.7	100%	1.257	83%	0.826	S	S	*	*				170	0	124.6	-85.1	-43.3	0	0	0	108.6

Retrieved 182 of 182 residues in 89.9 ms (Link to these results)

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