RL13_SCHMA Loading...

Large ribosomal subunit protein eL13

AlphaFold DB , UniProt , Accession Q95043, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene RPL13, Length 184 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	70.1	Confident	87.1	Confident	245 Å²	245	124.8 Å²	124.8	100%	1.207	67%	0.674	S	S	*	*				0	139.9	0	-78.8	164.3	169.4	0	0	107.6
2	V	81.6	Confident	87.7	Confident	57 Å²	57	128.3 Å²	128.3	35%	0.345	68%	0.682	S	S	.	*			trans	-70.4	138.2	171.9	174.1	0	0	0	0	107.4	D6 L8	V2-D6 HydrophobicContact CG1-CB 3.52Å; V2-D6 WeakPolarHBondContact CG1-O 3.27Å; V2-L8 HydrophobicContact CG2-CB 4.21Å; V2-L8 HydrophobicContact CG2-CD1 3.73Å
3	H	83.2	Confident	88.2	Confident	161 Å²	161	128.8 Å²	128.8	75%	0.745	68%	0.675	S	S	*	*			trans	-108.6	132.9	174.7	-170.6	70.3	0	0	0	109.5	N5 D6	H3-N5 PolarHBondContact O-N 3.4Å; H3-D6 WeakPolarHBondContact O-CB 3.44Å; H3-D6 PolarHBondContact O-N 3.47Å; H3-D6 VanDerWaalsContact O-OD2 3.12Å
4	G	88.4	Confident	88.4	Confident	72 Å²	72	133.9 Å²	133.9	74%	0.742	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.5	-129.1	-175.9	0	0	0	0	0	113
5	N	90.6	Very high	88.7	Confident	166 Å²	166	137.3 Å²	137.3	89%	0.888	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	28.2	-177.8	-166.4	29.1	0	0	0	112.6	H3	H3-N5 PolarHBondContact O-N 3.4Å
6	D	90.3	Very high	89.1	Confident	100 Å²	100	139.3 Å²	139.3	54%	0.535	69%	0.692	S	S	.	*			trans	-67	153.2	179.3	-75.7	-20.9	0	0	0	111.8	V2 H3	V2-D6 HydrophobicContact CG1-CB 3.52Å; V2-D6 WeakPolarHBondContact CG1-O 3.27Å; H3-D6 WeakPolarHBondContact O-CB 3.44Å; H3-D6 PolarHBondContact O-N 3.47Å; H3-D6 VanDerWaalsContact O-OD2 3.12Å
7	V	90.7	Very high	89.5	Confident	117 Å²	117	138.3 Å²	138.3	71%	0.709	68%	0.678	S	S	*	*			trans	-74.7	134.7	176.8	177.6	0	0	0	0	110	H9	V7-H9 PolarHBondContact O-CD2 3.02Å; V7-H9 PolarHBondContact O-N 2.98Å; V7-H9 PolarHBondContact O-NE2 3.15Å
8	L	88.8	Confident	89.8	Confident	115 Å²	115	138.3 Å²	138.3	60%	0.602	68%	0.677	S	S	*	*			trans	-67.9	102.4	169.7	-175	64.6	0	0	0	110.6	V2 H10	V2-L8 HydrophobicContact CG2-CB 4.21Å; V2-L8 HydrophobicContact CG2-CD1 3.73Å; L8-H10 PolarHBondContact O-N 2.94Å; L8-H10 PolarHBondContact O-ND1 3.04Å
9	H	90.4	Very high	90.1	Very high	121 Å²	121	139.8 Å²	139.8	56%	0.56	68%	0.68	S	S	*	*			trans	-66.7	124.6	-179.5	-22.6	93.3	0	0	0	111.6	V7 N11	V7-H9 PolarHBondContact O-CD2 3.02Å; V7-H9 PolarHBondContact O-N 2.98Å; V7-H9 PolarHBondContact O-NE2 3.15Å; H9-N11 VanDerWaalsContact C-N 3.28Å; H9-N11 PolarHBondContact O-N 3.22Å
10	H	91.8	Very high	90.4	Very high	129 Å²	129	141.4 Å²	141.4	60%	0.597	69%	0.688	S	S	*	*			trans	-93.9	56.3	171.3	-68.4	73	0	0	0	110.5	L8 H12	L8-H10 PolarHBondContact O-N 2.94Å; L8-H10 PolarHBondContact O-ND1 3.04Å; H10-H12 PolarHBondContact O-CE1 2.96Å; H10-H12 VanDerWaalsContact O-CE1 3.24Å; H10-H12 PolarHBondContact O-N 2.93Å; H10-H12 PolarHBondContact O-ND1 2.9Å
11	N	92.6	Very high	90.6	Very high	90 Å²	90	138.8 Å²	138.8	48%	0.481	68%	0.68	S	S	.	*			trans	-66.6	128.7	-176.4	-73.3	-19.4	0	0	0	111.4	H9 F13	H9-N11 VanDerWaalsContact C-N 3.28Å; H9-N11 PolarHBondContact O-N 3.22Å; N11-F13 HydrophobicContact CB-CD2 3.68Å; N11-F13 HydrophobicContact CB-CE2 3.94Å; N11-F13 PolarHBondContact O-N 3.32Å
12	H	94.1	Very high	91.9	Very high	167 Å²	167	133.9 Å²	133.9	77%	0.773	65%	0.652	S	S	*	*			trans	-89.6	35.5	-176.7	-66.3	82.4	0	0	0	112.8	H10 R14	H10-H12 PolarHBondContact O-CE1 2.96Å; H10-H12 VanDerWaalsContact O-CE1 3.24Å; H10-H12 PolarHBondContact O-N 2.93Å; H10-H12 PolarHBondContact O-ND1 2.9Å; H12-R14 PolarHBondContact O-N 3.47Å
13	F	93.7	Very high	92.6	Very high	134 Å²	134	134.8 Å²	134.8	59%	0.588	66%	0.658	S	S	*	*			trans	-92.4	30.2	176.6	-54	-56.3	0	0	0	112.1	N11 W17	N11-F13 HydrophobicContact CB-CD2 3.68Å; N11-F13 HydrophobicContact CB-CE2 3.94Å; N11-F13 PolarHBondContact O-N 3.32Å; F13-W17 HydrophobicContact CD1-CD2 4.4Å; F13-W17 HydrophobicContact CD1-CG 4.3Å
14	R	91	Very high	93.3	Very high	200 Å²	200	133.9 Å²	133.9	76%	0.755	65%	0.648	S	S	*	*			trans	-85.7	-5.9	-171.2	-57.6	-178.1	-176.7	-174.9	-2.8	114.5	H12	H12-R14 PolarHBondContact O-N 3.47Å
15	K	93.9	Very high	93.7	Very high	185 Å²	185	139 Å²	139	80%	0.804	65%	0.65	S	S	*	*	S	Bend	trans	-111.7	171	175.1	-64.3	-174.6	178.8	-176	0	109	W17	K15-W17 PolarHBondContact O-N 3.01Å
16	K	94.4	Very high	94.1	Very high	170 Å²	170	134.8 Å²	134.8	74%	0.739	63%	0.628	S	S	*	*			trans	-68.5	61.8	172.8	-57.5	-175.5	175.7	-179.4	0	111.5	Q18 F19	K16-Q18 PolarHBondContact O-N 2.86Å; K16-F19 HydrophobicContact CB-CD2 3.61Å; K16-F19 HydrophobicContact CB-CE2 3.91Å; K16-F19 HydrophobicContact CD-CD2 4.39Å; K16-F19 HydrophobicContact CD-CE2 3.97Å; K16-F19 HydrophobicContact CG-CE2 4.43Å; K16-F19 PolarHBondContact O-N 3.03Å
17	W	96	Very high	94.4	Very high	122 Å²	122	134.2 Å²	134.2	46%	0.462	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-64	-26.8	-171.4	64	-94.9	0	0	0	112.8	F13 K15 F19 M20 V21	F13-W17 HydrophobicContact CD1-CD2 4.4Å; F13-W17 HydrophobicContact CD1-CG 4.3Å; K15-W17 PolarHBondContact O-N 3.01Å; W17-F19 PolarHBondContact O-N 3.42Å; W17-M20 CarbonylContact O-C 3.41Å; W17-M20 PolarHBondContact O-N 3.23Å; W17-V21 HydrophobicContact CE3-CG2 3.74Å; W17-V21 HydrophobicContact CZ3-CG2 3.69Å; W17-V21 PolarHBondContact O-N 3.18Å
18	Q	95.4	Very high	94.8	Very high	139 Å²	139	132.8 Å²	132.8	65%	0.65	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-58.4	-29.2	177.8	-67.1	-179.8	-1.1	0	0	112.6	K16 M20 V21	K16-Q18 PolarHBondContact O-N 2.86Å; Q18-M20 VanDerWaalsContact C-N 3.26Å; Q18-M20 PolarHBondContact O-N 3.41Å; Q18-V21 WeakPolarHBondContact O-CG2 3.34Å
19	F	95.6	Very high	95.2	Very high	167 Å²	167	129.9 Å²	129.9	73%	0.732	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-74.7	-11.3	175.7	-66.8	-90.5	0	0	0	113.9	K16 W17	K16-F19 HydrophobicContact CB-CD2 3.61Å; K16-F19 HydrophobicContact CB-CE2 3.91Å; K16-F19 HydrophobicContact CD-CD2 4.39Å; K16-F19 HydrophobicContact CD-CE2 3.97Å; K16-F19 HydrophobicContact CG-CE2 4.43Å; K16-F19 PolarHBondContact O-N 3.03Å; W17-F19 PolarHBondContact O-N 3.42Å
20	M	94.6	Very high	95.6	Very high	170 Å²	170	127.2 Å²	127.2	84%	0.837	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-124.9	27	-175.3	-60.8	-177.3	-178.6	0	0	112.1	W17 Q18 K22	W17-M20 CarbonylContact O-C 3.41Å; W17-M20 PolarHBondContact O-N 3.23Å; Q18-M20 VanDerWaalsContact C-N 3.26Å; Q18-M20 PolarHBondContact O-N 3.41Å; M20-K22 PolarHBondContact O-N 3.11Å
21	V	95.6	Very high	95.9	Very high	87 Å²	87	127 Å²	127	53%	0.527	59%	0.59	S	S	.	*			trans	-70.9	113.3	178.7	178.5	0	0	0	0	109.8	W17 Q18 T23	W17-V21 HydrophobicContact CE3-CG2 3.74Å; W17-V21 HydrophobicContact CZ3-CG2 3.69Å; W17-V21 PolarHBondContact O-N 3.18Å; Q18-V21 WeakPolarHBondContact O-CG2 3.34Å; V21-T23 HydrophobicContact CG1-CG2 4.41Å; V21-T23 PolarHBondContact O-N 2.91Å
22	K	96.3	Very high	96.2	Very high	143 Å²	143	127.9 Å²	127.9	62%	0.622	59%	0.591	S	S	*	*			trans	-88.1	107.4	174.7	-175.3	176.8	-177.2	174.2	0	110.5	M20	M20-K22 PolarHBondContact O-N 3.11Å
23	T	97	Very high	96.4	Very high	75 Å²	75	128.5 Å²	128.5	46%	0.46	59%	0.587	S	S	.	*			trans	-82.4	160.8	171.8	64.5	0	0	0	0	111.5	V21 F25	V21-T23 HydrophobicContact CG1-CG2 4.41Å; V21-T23 PolarHBondContact O-N 2.91Å; T23-F25 HydrophobicContact CG2-CD2 4.26Å; T23-F25 HydrophobicContact CG2-CE2 3.86Å
24	W	97.7	Very high	96.6	Very high	142 Å²	142	128.6 Å²	128.6	54%	0.538	58%	0.583	S	S	.	*			trans	-115.6	16.3	-178	-67	88.5	0	0	0	113.5	N26 Q27	W24-N26 PolarHBondContact O-N 3.29Å; W24-N26 VanDerWaalsContact O-N 3.15Å; W24-Q27 HydrophobicContact CB-CB 4.46Å; W24-Q27 HydrophobicContact CE3-CB 4.47Å; W24-Q27 HydrophobicContact CE3-CG 4.41Å; W24-Q27 WeakPolarHBondContact O-CB 3.41Å; W24-Q27 PolarHBondContact O-N 2.95Å
25	F	97.7	Very high	97	Very high	179 Å²	179	126.3 Å²	126.3	79%	0.785	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-28.3	177.9	-55.8	-49.4	0	0	0	113	T23 Q27 P28	T23-F25 HydrophobicContact CG2-CD2 4.26Å; T23-F25 HydrophobicContact CG2-CE2 3.86Å; F25-Q27 VanDerWaalsContact C-N 3.28Å; F25-Q27 PolarHBondContact O-N 3.23Å; F25-P28 WeakPolarHBondContact O-CD 3.08Å
26	N	97.6	Very high	97.2	Very high	79 Å²	79	122.9 Å²	122.9	42%	0.422	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	1.7	175.1	65.5	2.8	0	0	0	114.5	W24 R30	W24-N26 PolarHBondContact O-N 3.29Å; W24-N26 VanDerWaalsContact O-N 3.15Å; N26-R30 VanDerWaalsContact CG-NH2 3.3Å; N26-R30 PolarHBondContact ND2-NH2 3.45Å; N26-R30 VanDerWaalsContact O-CB 3.27Å; N26-R30 WeakPolarHBondContact O-CB 3.5Å; N26-R30 PolarHBondContact O-N 2.97Å; N26-R30 PolarHBondContact OD1-NH2 2.94Å
27	Q	98.1	Very high	97.3	Very high	87 Å²	87	117.7 Å²	117.7	41%	0.407	55%	0.55	S	S	.	.	H	α-helix	trans	-59.5	-49.4	-179.3	-167.3	-166.4	87	0	0	113.6	W24 F25 R30 K31	W24-Q27 HydrophobicContact CB-CB 4.46Å; W24-Q27 HydrophobicContact CE3-CB 4.47Å; W24-Q27 HydrophobicContact CE3-CG 4.41Å; W24-Q27 WeakPolarHBondContact O-CB 3.41Å; W24-Q27 PolarHBondContact O-N 2.95Å; F25-Q27 VanDerWaalsContact C-N 3.28Å; F25-Q27 PolarHBondContact O-N 3.23Å; Q27-R30 PolarHBondContact O-N 3Å; Q27-K31 PolarHBondContact O-N 3.43Å
28	P	98.3	Very high	97.4	Very high	87 Å²	87	119.1 Å²	119.1	57%	0.565	56%	0.555	S	S	*	*	H	α-helix	trans	-61.1	-49.2	176.8	21.7	-33.3	0	0	0	112.4	F25 R30 K31 E32	F25-P28 WeakPolarHBondContact O-CD 3.08Å; P28-R30 PolarHBondContact O-N 3.38Å; P28-K31 WeakPolarHBondContact O-CA 3.28Å; P28-K31 WeakPolarHBondContact O-CB 3.31Å; P28-K31 PolarHBondContact O-N 3.44Å; P28-E32 PolarHBondContact O-N 3.45Å
29	A	98.2	Very high	97.4	Very high	54 Å²	54	118.9 Å²	118.9	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-57.1	-37.6	176.6	0	0	0	0	0	112.3	E32 R33	A29-E32 PolarHBondContact O-N 2.87Å; A29-R33 WeakPolarHBondContact O-CB 3.42Å; A29-R33 PolarHBondContact O-N 3.02Å
30	R	98.2	Very high	97.5	Very high	66 Å²	66	113.5 Å²	113.5	25%	0.249	54%	0.538	C	S	.	.	H	α-helix	trans	-69.5	-33.6	175.8	-158.8	-172.2	-66.3	147.4	-0.8	112.5	N26 Q27 P28 R34	N26-R30 VanDerWaalsContact CG-NH2 3.3Å; N26-R30 PolarHBondContact ND2-NH2 3.45Å; N26-R30 VanDerWaalsContact O-CB 3.27Å; N26-R30 WeakPolarHBondContact O-CB 3.5Å; N26-R30 PolarHBondContact O-N 2.97Å; N26-R30 PolarHBondContact OD1-NH2 2.94Å; Q27-R30 PolarHBondContact O-N 3Å; P28-R30 PolarHBondContact O-N 3.38Å; R30-R34 VanDerWaalsContact CD-CZ 3.42Å; R30-R34 VanDerWaalsContact O-CG 3.28Å; R30-R34 WeakPolarHBondContact O-CG 3.38Å; R30-R34 PolarHBondContact O-N 3.14Å
31	K	98.6	Very high	97.6	Very high	124 Å²	124	109.4 Å²	109.4	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-67.3	-44.2	174.6	-73.8	175.5	-173	-91.6	0	110.6	Q27 P28 R34 R35	Q27-K31 PolarHBondContact O-N 3.43Å; P28-K31 WeakPolarHBondContact O-CA 3.28Å; P28-K31 WeakPolarHBondContact O-CB 3.31Å; P28-K31 PolarHBondContact O-N 3.44Å; K31-R34 PolarHBondContact O-N 2.99Å; K31-R35 PolarHBondContact O-N 3.33Å
32	E	98.5	Very high	97.6	Very high	109 Å²	109	106 Å²	106	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-50.6	176.7	-178.5	169.6	-162	0	0	112	P28 A29 R34 R35 Q36	P28-E32 PolarHBondContact O-N 3.45Å; A29-E32 PolarHBondContact O-N 2.87Å; E32-R34 VanDerWaalsContact C-N 3.27Å; E32-R34 PolarHBondContact O-N 2.85Å; E32-R35 WeakPolarHBondContact O-CA 3.38Å; E32-R35 VanDerWaalsContact O-CB 3.31Å; E32-R35 WeakPolarHBondContact O-CB 3.29Å; E32-R35 PolarHBondContact O-N 3.49Å; E32-Q36 HydrophobicContact CG-CG 4.44Å; E32-Q36 PolarHBondContact O-N 2.97Å; E32-Q36 PolarHBondContact OE1-NE2 3.05Å
33	R	98.4	Very high	97.6	Very high	180 Å²	180	106.1 Å²	106.1	68%	0.679	50%	0.5	S	S	*	.	H	α-helix	trans	-52	-45.7	175.6	-170.3	-170.9	-57.4	-165.7	-0.8	111.9	A29 R35 Q36 A37	A29-R33 WeakPolarHBondContact O-CB 3.42Å; A29-R33 PolarHBondContact O-N 3.02Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 3.37Å; R33-Q36 PolarHBondContact O-N 3.26Å; R33-A37 WeakPolarHBondContact O-CB 3.47Å; R33-A37 PolarHBondContact O-N 3.5Å
34	R	98.4	Very high	97.6	Very high	135 Å²	135	111.5 Å²	111.5	51%	0.509	51%	0.512	S	S	.	.	H	α-helix	trans	-65.7	-31.7	176.2	-73	179.5	-170.8	124.4	-13.4	112.9	R30 K31 E32 R38	R30-R34 VanDerWaalsContact CD-CZ 3.42Å; R30-R34 VanDerWaalsContact O-CG 3.28Å; R30-R34 WeakPolarHBondContact O-CG 3.38Å; R30-R34 PolarHBondContact O-N 3.14Å; K31-R34 PolarHBondContact O-N 2.99Å; E32-R34 VanDerWaalsContact C-N 3.27Å; E32-R34 PolarHBondContact O-N 2.85Å; R34-R38 WeakPolarHBondContact O-CB 3.29Å; R34-R38 VanDerWaalsContact O-CG 3.29Å; R34-R38 WeakPolarHBondContact O-CG 3.4Å; R34-R38 PolarHBondContact O-N 3.19Å; R34-R38 VanDerWaalsContact O-N 3.11Å; R34-R38 PolarHBondContact O-NE 3.23Å
35	R	97.7	Very high	97.4	Very high	153 Å²	153	106.4 Å²	106.4	58%	0.577	50%	0.495	S	S	*	.	H	α-helix	trans	-69.7	-47.7	176.6	-178.8	179.9	176.3	-113.7	5.4	110.5	K31 E32 R33 R38 K39	K31-R35 PolarHBondContact O-N 3.33Å; E32-R35 WeakPolarHBondContact O-CA 3.38Å; E32-R35 VanDerWaalsContact O-CB 3.31Å; E32-R35 WeakPolarHBondContact O-CB 3.29Å; E32-R35 PolarHBondContact O-N 3.49Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 3.37Å; R35-R38 WeakPolarHBondContact O-CB 3.49Å; R35-R38 PolarHBondContact O-N 3.48Å; R35-K39 PolarHBondContact O-N 2.95Å
36	Q	98.2	Very high	97.1	Very high	113 Å²	113	100.7 Å²	100.7	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-59.8	-47.7	175.9	-67.4	175.9	-7.3	0	0	111.1	E32 R33 R38 K39 A40	E32-Q36 HydrophobicContact CG-CG 4.44Å; E32-Q36 PolarHBondContact O-N 2.97Å; E32-Q36 PolarHBondContact OE1-NE2 3.05Å; R33-Q36 PolarHBondContact O-N 3.26Å; Q36-R38 VanDerWaalsContact C-N 3.3Å; Q36-R38 PolarHBondContact O-N 3.18Å; Q36-K39 WeakPolarHBondContact O-CA 3.4Å; Q36-K39 WeakPolarHBondContact O-CB 3.48Å; Q36-K39 PolarHBondContact O-N 3.22Å; Q36-A40 PolarHBondContact O-N 2.81Å
37	A	97.7	Very high	96.9	Very high	61 Å²	61	99.5 Å²	99.5	50%	0.504	48%	0.477	S	S	.	.	H	α-helix	trans	-59.2	-37.6	176.1	0	0	0	0	0	113.1	R33 K41	R33-A37 WeakPolarHBondContact O-CB 3.47Å; R33-A37 PolarHBondContact O-N 3.5Å; A37-K41 VanDerWaalsContact O-CB 3.29Å; A37-K41 WeakPolarHBondContact O-CB 3.43Å; A37-K41 PolarHBondContact O-N 3.23Å
38	R	97	Very high	96.8	Very high	152 Å²	152	103.4 Å²	103.4	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-65.8	-40	173.2	-81.5	177.2	-79.4	128.8	-9.5	112.2	R34 R35 Q36 A42	R34-R38 WeakPolarHBondContact O-CB 3.29Å; R34-R38 VanDerWaalsContact O-CG 3.29Å; R34-R38 WeakPolarHBondContact O-CG 3.4Å; R34-R38 PolarHBondContact O-N 3.19Å; R34-R38 VanDerWaalsContact O-N 3.11Å; R34-R38 PolarHBondContact O-NE 3.23Å; R35-R38 WeakPolarHBondContact O-CB 3.49Å; R35-R38 PolarHBondContact O-N 3.48Å; Q36-R38 VanDerWaalsContact C-N 3.3Å; Q36-R38 PolarHBondContact O-N 3.18Å; R38-A42 WeakPolarHBondContact O-CB 3.43Å; R38-A42 PolarHBondContact O-N 3.27Å
39	K	96.1	Very high	96.6	Very high	133 Å²	133	101.1 Å²	101.1	58%	0.578	47%	0.473	S	S	*	.	H	α-helix	trans	-65.4	-48.9	177.9	-139.7	-176.7	-177.1	-169	0	110.8	R35 Q36 K41 A42 Q43	R35-K39 PolarHBondContact O-N 2.95Å; Q36-K39 WeakPolarHBondContact O-CA 3.4Å; Q36-K39 WeakPolarHBondContact O-CB 3.48Å; Q36-K39 PolarHBondContact O-N 3.22Å; K39-K41 PolarHBondContact O-N 3.23Å; K39-A42 WeakPolarHBondContact O-CB 3.45Å; K39-A42 PolarHBondContact O-N 2.83Å; K39-A42 VanDerWaalsContact O-N 3.14Å; K39-Q43 PolarHBondContact O-N 3.37Å
40	A	97.2	Very high	96.4	Very high	54 Å²	54	100 Å²	100	45%	0.446	46%	0.464	S	S	.	.	H	α-helix	trans	-60.2	-43.4	175.6	0	0	0	0	0	112	Q36 A42 Q43 R44	Q36-A40 PolarHBondContact O-N 2.81Å; A40-A42 VanDerWaalsContact C-N 3.34Å; A40-A42 PolarHBondContact O-N 2.98Å; A40-Q43 PolarHBondContact O-N 3.16Å; A40-R44 WeakPolarHBondContact O-CB 3.39Å; A40-R44 PolarHBondContact O-N 3.13Å
41	K	96.8	Very high	96.1	Very high	84 Å²	84	99.3 Å²	99.3	37%	0.365	47%	0.469	S	S	.	.	H	α-helix	trans	-58.9	-45.2	173.5	-178.7	-169.8	174.7	-159.5	0	111.7	A37 K39 R44 I45 A50	A37-K41 VanDerWaalsContact O-CB 3.29Å; A37-K41 WeakPolarHBondContact O-CB 3.43Å; A37-K41 PolarHBondContact O-N 3.23Å; K39-K41 PolarHBondContact O-N 3.23Å; K41-R44 PolarHBondContact O-N 3.38Å; K41-I45 HydrophobicContact CG-CD1 4.5Å; K41-I45 WeakPolarHBondContact O-CG1 3.49Å; K41-I45 PolarHBondContact O-N 3.43Å; K41-A50 PolarHBondContact NZ-O 3.2Å
42	A	96.1	Very high	95.8	Very high	17 Å²	17	94.3 Å²	94.3	14%	0.14	45%	0.453	C	S	.	.	H	α-helix	trans	-62.5	-43.6	-178.2	0	0	0	0	0	111.7	R38 K39 A40 A46 A50 Q148	R38-A42 WeakPolarHBondContact O-CB 3.43Å; R38-A42 PolarHBondContact O-N 3.27Å; K39-A42 WeakPolarHBondContact O-CB 3.45Å; K39-A42 PolarHBondContact O-N 2.83Å; K39-A42 VanDerWaalsContact O-N 3.14Å; A40-A42 VanDerWaalsContact C-N 3.34Å; A40-A42 PolarHBondContact O-N 2.98Å; A42-A46 PolarHBondContact O-N 3.17Å; A42-A50 HydrophobicContact CB-CB 3.8Å; A42-Q148 PolarHBondContact O-NE2 3.14Å
43	Q	95.6	Very high	95.7	Very high	144 Å²	144	91.8 Å²	91.8	67%	0.673	45%	0.446	S	S	*	.	H	α-helix	trans	-61.7	-48.3	174.7	-71.2	168.3	-33	0	0	111.4	K39 A40 I45 A46	K39-Q43 PolarHBondContact O-N 3.37Å; A40-Q43 PolarHBondContact O-N 3.16Å; Q43-I45 VanDerWaalsContact C-N 3.3Å; Q43-I45 PolarHBondContact O-N 3.15Å; Q43-A46 WeakPolarHBondContact O-CB 3.49Å; Q43-A46 PolarHBondContact O-N 3.41Å
44	R	96.7	Very high	95.6	Very high	188 Å²	188	83.3 Å²	83.3	71%	0.709	41%	0.414	S	S	*	.	H	α-helix	trans	-61.3	-33.2	-177.2	-175.9	176.1	59	76.2	-4.7	114.4	A40 K41	A40-R44 WeakPolarHBondContact O-CB 3.39Å; A40-R44 PolarHBondContact O-N 3.13Å; K41-R44 PolarHBondContact O-N 3.38Å
45	I	94.3	Very high	95.6	Very high	36 Å²	36	82.2 Å²	82.2	19%	0.185	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	3.9	-176	75.1	177.4	0	0	0	113.5	K41 Q43 R48	K41-I45 HydrophobicContact CG-CD1 4.5Å; K41-I45 WeakPolarHBondContact O-CG1 3.49Å; K41-I45 PolarHBondContact O-N 3.43Å; Q43-I45 VanDerWaalsContact C-N 3.3Å; Q43-I45 PolarHBondContact O-N 3.15Å; I45-R48 HydrophobicContact CB-CB 4.45Å; I45-R48 HydrophobicContact CD1-CB 4.39Å; I45-R48 HydrophobicContact CG1-CB 4.29Å; I45-R48 WeakPolarHBondContact O-CA 3.21Å; I45-R48 WeakPolarHBondContact O-CB 3.46Å; I45-R48 WeakPolarHBondContact O-CG 3.47Å; I45-R48 PolarHBondContact O-N 3.45Å
46	A	92	Very high	95.6	Very high	59 Å²	59	75 Å²	75	49%	0.488	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	134.3	177.3	0	0	0	0	0	109.6	A42 Q43	A42-A46 PolarHBondContact O-N 3.17Å; Q43-A46 WeakPolarHBondContact O-CB 3.49Å; Q43-A46 PolarHBondContact O-N 3.41Å
47	P	93.3	Very high	95.5	Very high	54 Å²	54	71.1 Å²	71.1	35%	0.351	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.9	2.2	11.9	34.4	-35.9	0	0	0	115.6	F126	P47-F126 HydrophobicContact CB-CZ 4.42Å; P47-F126 HydrophobicContact CG-CD2 4.48Å; P47-F126 HydrophobicContact CG-CE1 4.16Å; P47-F126 HydrophobicContact CG-CE2 3.81Å; P47-F126 HydrophobicContact CG-CZ 3.64Å
48	R	94.6	Very high	95.4	Very high	169 Å²	169	69.6 Å²	69.6	64%	0.638	35%	0.35	S	S	*	.	S	Bend	trans	-62.9	144.6	-174.4	-58.3	178.8	176.4	179.1	-1.2	112.2	I45 A50 Q148	I45-R48 HydrophobicContact CB-CB 4.45Å; I45-R48 HydrophobicContact CD1-CB 4.39Å; I45-R48 HydrophobicContact CG1-CB 4.29Å; I45-R48 WeakPolarHBondContact O-CA 3.21Å; I45-R48 WeakPolarHBondContact O-CB 3.46Å; I45-R48 WeakPolarHBondContact O-CG 3.47Å; I45-R48 PolarHBondContact O-N 3.45Å; R48-A50 PolarHBondContact O-N 3.06Å; R48-Q148 WeakPolarHBondContact O-CG 3.37Å; R48-Q148 PolarHBondContact O-NE2 2.91Å
49	P	95.1	Very high	95.2	Very high	39 Å²	39	66.2 Å²	66.2	25%	0.253	34%	0.343	S	S	.	.			trans	-59.1	128.8	176.6	-25.5	34.7	0	0	0	113.7	S51 G52 L149 V153	P49-S51 PolarHBondContact O-N 2.96Å; P49-G52 PolarHBondContact O-N 3.09Å; P49-L149 HydrophobicContact CB-CB 4.23Å; P49-L149 HydrophobicContact CG-CB 4.13Å; P49-V153 HydrophobicContact CB-CG2 3.66Å; P49-V153 HydrophobicContact CG-CG2 3.82Å
50	A	93.3	Very high	95.2	Very high	29 Å²	29	61.1 Å²	61.1	24%	0.24	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25	-177.4	0	0	0	0	0	114.1	K41 A42 R48 G52	K41-A50 PolarHBondContact NZ-O 3.2Å; A42-A50 HydrophobicContact CB-CB 3.8Å; R48-A50 PolarHBondContact O-N 3.06Å; A50-G52 PolarHBondContact O-N 3.26Å
51	S	92.1	Very high	95	Very high	52 Å²	52	64.4 Å²	64.4	36%	0.364	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.9	179.4	61.9	0	0	0	0	113.7	P49	P49-S51 PolarHBondContact O-N 2.96Å
52	G	93.5	Very high	95	Very high	20 Å²	20	63.8 Å²	63.8	21%	0.206	34%	0.344	C	S	.	.			trans	94.3	-168.2	-177.4	0	0	0	0	0	113.3	P49 A50	P49-G52 PolarHBondContact O-N 3.09Å; A50-G52 PolarHBondContact O-N 3.26Å
53	P	95.7	Very high	94.9	Very high	56 Å²	56	71.9 Å²	71.9	36%	0.364	38%	0.377	S	S	.	.	S	Bend	trans	-69.7	159	-169.7	28.9	-36.5	0	0	0	113.4	R55 G94 A96	P53-R55 PolarHBondContact O-N 2.69Å; P53-G94 CarbonylContact C-O 3.41Å; P53-G94 WeakPolarHBondContact CA-O 3.17Å; P53-G94 WeakPolarHBondContact CB-O 3.46Å; P53-A96 HydrophobicContact CB-CB 4.24Å; P53-A96 HydrophobicContact CG-CB 4.07Å
54	L	97.1	Very high	94.9	Very high	1 Å²	1	74.6 Å²	74.6	1%	0.005	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-60.3	131.6	172.7	-175	75.1	0	0	0	110.1	F75 G94 A96 R115 L116 Y119 V153 L154	L54-F75 HydrophobicContact CB-CE2 4.37Å; L54-F75 HydrophobicContact CD2-CE2 3.7Å; L54-F75 HydrophobicContact CD2-CZ 3.65Å; L54-F75 HydrophobicContact CG-CE2 3.84Å; L54-F75 HydrophobicContact CG-CZ 4.03Å; L54-G94 PolarHBondContact N-O 3.3Å; L54-A96 WeakPolarHBondContact O-CB 3.3Å; L54-A96 PolarHBondContact O-N 3.49Å; L54-R115 HydrophobicContact CD2-CG 4.41Å; L54-L116 HydrophobicContact CD2-CD2 4.22Å; L54-Y119 HydrophobicContact CB-CD2 4.32Å; L54-Y119 HydrophobicContact CB-CE2 4.38Å; L54-Y119 HydrophobicContact CB-CG 4.4Å; L54-Y119 HydrophobicContact CD1-CD2 4.27Å; L54-Y119 HydrophobicContact CD2-CD1 4.02Å; L54-Y119 HydrophobicContact CD2-CD2 4.14Å; L54-Y119 HydrophobicContact CD2-CG 3.62Å; L54-Y119 HydrophobicContact CG-CD2 4.48Å; L54-Y119 HydrophobicContact CG-CG 4.41Å; L54-V153 HydrophobicContact CD1-CG1 3.97Å; L54-L154 HydrophobicContact CD1-CB 4.01Å; L54-L154 HydrophobicContact CD1-CD1 3.98Å; L54-L154 HydrophobicContact CD1-CG 4.4Å
55	R	97.1	Very high	94.9	Very high	113 Å²	113	70 Å²	70	43%	0.426	36%	0.364	S	S	.	.			trans	-111.4	147.8	174.6	-72.3	-179.9	175.2	116.5	-1.1	111.6	P53 G72 A96 R115	P53-R55 PolarHBondContact O-N 2.69Å; R55-G72 WeakPolarHBondContact CB-O 3.33Å; R55-G72 VanDerWaalsContact CD-O 3.27Å; R55-G72 WeakPolarHBondContact CD-O 3.5Å; R55-G72 WeakPolarHBondContact CG-O 3.44Å; R55-A96 HydrophobicContact CG-CB 4.36Å; R55-R115 PolarHBondContact O-NE 3Å; R55-R115 PolarHBondContact O-NH2 3.17Å; R55-R115 VanDerWaalsContact O-NH2 3.15Å
56	P	97.5	Very high	94.8	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.372	C	S	.	.			trans	-75	164.2	-179.6	31.3	-38.2	0	0	0	112.6	V58 G72 G74 F75 R101	P56-V58 HydrophobicContact CB-CG2 4.43Å; P56-V58 HydrophobicContact CG-CG2 4.14Å; P56-G72 PolarHBondContact O-N 3.45Å; P56-G74 VanDerWaalsContact CG-C 3.46Å; P56-G74 WeakPolarHBondContact CG-O 3.05Å; P56-F75 HydrophobicContact CB-CD1 3.66Å; P56-F75 HydrophobicContact CB-CD2 4.23Å; P56-F75 HydrophobicContact CB-CE1 3.64Å; P56-F75 HydrophobicContact CB-CE2 4.21Å; P56-F75 HydrophobicContact CB-CG 3.96Å; P56-F75 HydrophobicContact CB-CZ 3.93Å; P56-F75 HydrophobicContact CG-CD2 4.46Å; P56-F75 HydrophobicContact CG-CG 4.4Å; P56-R101 VanDerWaalsContact CB-NH2 3.3Å
57	I	96.6	Very high	94.8	Very high	32 Å²	32	76.7 Å²	76.7	16%	0.164	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.4	170.7	-63.6	172.3	0	0	0	108.5	V69 R111 N112 I156	I57-V69 HydrophobicContact CB-CG1 4.36Å; I57-V69 HydrophobicContact CG2-CB 4.49Å; I57-V69 HydrophobicContact CG2-CG1 3.08Å; I57-R111 HydrophobicContact CD1-CG 4.1Å; I57-N112 WeakPolarHBondContact CB-OD1 3.44Å; I57-N112 PolarHBondContact N-OD1 3.23Å; I57-N112 PolarHBondContact O-ND2 3.26Å; I57-N112 PolarHBondContact O-OD1 2.85Å; I57-I156 HydrophobicContact CB-CD1 4.5Å; I57-I156 HydrophobicContact CG1-CD1 3.89Å; I57-I156 HydrophobicContact CG1-CG1 3.98Å; I57-I156 HydrophobicContact CG1-CG2 4.35Å
58	V	95.4	Very high	94.8	Very high	30 Å²	30	79.9 Å²	79.9	18%	0.182	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.1	-176.3	-179.8	0	0	0	0	110.2	P56 V69 R70	P56-V58 HydrophobicContact CB-CG2 4.43Å; P56-V58 HydrophobicContact CG-CG2 4.14Å; V58-V69 CarbonylContact O-C 3.59Å; V58-R70 PolarHBondContact N-O 3.41Å; V58-R70 PolarHBondContact O-N 3.37Å
59	N	93.6	Very high	94.8	Very high	81 Å²	81	73 Å²	73	43%	0.433	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	147.6	172.4	-63.9	5.6	0	0	0	110.2	R111	N59-R111 PolarHBondContact OD1-NH1 3.45Å
60	C	94.8	Very high	94.8	Very high	25 Å²	25	77.2 Å²	77.2	17%	0.169	39%	0.385	C	S	.	.			trans	-70.6	151.8	172.7	-59.4	0	0	0	0	111	Y65 N66 K68	C60-Y65 WeakPolarHBondContact CB-O 3.5Å; C60-N66 WeakPolarHBondContact O-CA 3.2Å; C60-K68 PolarHBondContact N-O 3.21Å
61	P	94	Very high	94.9	Very high	124 Å²	124	78.8 Å²	78.8	81%	0.805	39%	0.394	S	S	*	.	S	Bend	trans	-81.7	-21.9	-165.9	29.9	-35.8	0	0	0	115.3
62	T	96.1	Very high	95.1	Very high	71 Å²	71	76.5 Å²	76.5	44%	0.436	38%	0.379	S	S	.	.	S	Bend	trans	-94	153.4	-174.4	61.4	0	0	0	0	112	R64 Y65 N66	T62-R64 VanDerWaalsContact C-N 3.27Å; T62-R64 PolarHBondContact O-N 3.04Å; T62-Y65 CarbonylContact O-C 3.53Å; T62-Y65 PolarHBondContact O-N 3.47Å; T62-Y65 VanDerWaalsContact OG1-CD2 3.27Å; T62-Y65 WeakPolarHBondContact OG1-CD2 3.48Å; T62-N66 WeakPolarHBondContact O-CB 3.33Å; T62-N66 PolarHBondContact O-N 3.47Å
63	F	95.1	Very high	95.3	Very high	187 Å²	187	83 Å²	83	82%	0.82	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-51.6	-44.3	179	-174.7	-99.6	0	0	0	112.8	Y65 N66	F63-Y65 PolarHBondContact O-N 2.8Å; F63-Y65 VanDerWaalsContact O-N 3.16Å; F63-N66 PolarHBondContact O-OD1 3.34Å
64	R	95.9	Very high	95.4	Very high	200 Å²	200	80.4 Å²	80.4	76%	0.755	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-58.9	-29.3	177.9	-173.8	176.2	-177.4	-179.3	4	114.1	T62	T62-R64 VanDerWaalsContact C-N 3.27Å; T62-R64 PolarHBondContact O-N 3.04Å
65	Y	96.1	Very high	95.4	Very high	92 Å²	92	80.3 Å²	80.3	36%	0.361	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-120.4	-0.7	-170.8	-58.5	-53.9	0	0	0	114.1	C60 T62 F63 M67 K68	C60-Y65 WeakPolarHBondContact CB-O 3.5Å; T62-Y65 CarbonylContact O-C 3.53Å; T62-Y65 PolarHBondContact O-N 3.47Å; T62-Y65 VanDerWaalsContact OG1-CD2 3.27Å; T62-Y65 WeakPolarHBondContact OG1-CD2 3.48Å; F63-Y65 PolarHBondContact O-N 2.8Å; F63-Y65 VanDerWaalsContact O-N 3.16Å; Y65-M67 PolarHBondContact O-N 3.26Å; Y65-M67 VanDerWaalsContact O-N 3.13Å; Y65-K68 HydrophobicContact CD1-CD 4.21Å; Y65-K68 WeakPolarHBondContact O-CA 3.49Å; Y65-K68 WeakPolarHBondContact O-CB 3.47Å; Y65-K68 PolarHBondContact O-N 3.19Å
66	N	93	Very high	95.4	Very high	67 Å²	67	75.3 Å²	75.3	36%	0.358	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.3	-175.8	66.4	-3	0	0	0	113.7	C60 T62 F63 K68	C60-N66 WeakPolarHBondContact O-CA 3.2Å; T62-N66 WeakPolarHBondContact O-CB 3.33Å; T62-N66 PolarHBondContact O-N 3.47Å; F63-N66 PolarHBondContact O-OD1 3.34Å; N66-K68 VanDerWaalsContact C-N 3.31Å
67	M	91.2	Very high	95.4	Very high	168 Å²	168	78 Å²	78	83%	0.828	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.8	173.5	-60.1	-177.7	76.5	0	0	113	Y65	Y65-M67 PolarHBondContact O-N 3.26Å; Y65-M67 VanDerWaalsContact O-N 3.13Å
68	K	93.9	Very high	95.4	Very high	121 Å²	121	81 Å²	81	53%	0.526	39%	0.389	S	S	.	.			trans	-84.4	132.6	177.6	-64.1	-174.6	-178.9	-178.6	0	110	C60 Y65 N66	C60-K68 PolarHBondContact N-O 3.21Å; Y65-K68 HydrophobicContact CD1-CD 4.21Å; Y65-K68 WeakPolarHBondContact O-CA 3.49Å; Y65-K68 WeakPolarHBondContact O-CB 3.47Å; Y65-K68 PolarHBondContact O-N 3.19Å; N66-K68 VanDerWaalsContact C-N 3.31Å
69	V	94.3	Very high	95.6	Very high	26 Å²	26	79.6 Å²	79.6	16%	0.158	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.5	177.3	-178.3	0	0	0	0	110.5	I57 V58 I156 Q158	I57-V69 HydrophobicContact CB-CG1 4.36Å; I57-V69 HydrophobicContact CG2-CB 4.49Å; I57-V69 HydrophobicContact CG2-CG1 3.08Å; V58-V69 CarbonylContact O-C 3.59Å; V69-I156 HydrophobicContact CG1-CG2 3.8Å; V69-Q158 PolarHBondContact O-NE2 3.4Å
70	R	94.7	Very high	95.7	Very high	127 Å²	127	75.8 Å²	75.8	48%	0.479	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	168.2	179.4	67.9	176.1	-166	94.6	-8.6	112.5	V58 G72	V58-R70 PolarHBondContact N-O 3.41Å; V58-R70 PolarHBondContact O-N 3.37Å; R70-G72 PolarHBondContact O-N 3.39Å
71	S	95.9	Very high	95.8	Very high	62 Å²	62	82.8 Å²	82.8	43%	0.434	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	121.8	168	-57.2	0	0	0	0	110.4	I156	S71-I156 WeakPolarHBondContact OG-CD1 3.43Å
72	G	96.2	Very high	96	Very high	4 Å²	4	79.6 Å²	79.6	4%	0.041	37%	0.367	C	S	.	.			trans	-78.6	174.6	173.6	0	0	0	0	0	113.5	R55 P56 R70	R55-G72 WeakPolarHBondContact CB-O 3.33Å; R55-G72 VanDerWaalsContact CD-O 3.27Å; R55-G72 WeakPolarHBondContact CD-O 3.5Å; R55-G72 WeakPolarHBondContact CG-O 3.44Å; P56-G72 PolarHBondContact O-N 3.45Å; R70-G72 PolarHBondContact O-N 3.39Å
73	R	96.7	Very high	96	Very high	156 Å²	156	76.7 Å²	76.7	59%	0.589	35%	0.35	S	S	*	.	S	Bend	trans	-63.9	-49.2	176.6	-175.3	-179.1	-175.9	-150.2	3.9	111.9	A96 D98 R100	R73-A96 WeakPolarHBondContact O-CB 3.04Å; R73-D98 HydrophobicContact CB-CB 4.47Å; R73-D98 WeakPolarHBondContact CD-OD2 3.46Å; R73-D98 IonicContact NH1-OD1 3.71Å; R73-R100 VanDerWaalsContact NH1-NE 3.18Å
74	G	97.6	Very high	96	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.01	34%	0.342	C	S	.	.	S	Bend	trans	-170.3	162.2	-179	0	0	0	0	0	111.6	P56 A96 R101	P56-G74 VanDerWaalsContact CG-C 3.46Å; P56-G74 WeakPolarHBondContact CG-O 3.05Å; G74-A96 CarbonylContact C-O 3.42Å; G74-A96 WeakPolarHBondContact CA-O 3.48Å; G74-R101 PolarHBondContact O-NH1 3.27Å
75	F	98.3	Very high	96	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-66.1	146.8	177.7	-69.2	-92.3	0	0	0	110.9	L54 P56 E79 V80 I95 A96 V97 D98 N112 R115 L116	L54-F75 HydrophobicContact CB-CE2 4.37Å; L54-F75 HydrophobicContact CD2-CE2 3.7Å; L54-F75 HydrophobicContact CD2-CZ 3.65Å; L54-F75 HydrophobicContact CG-CE2 3.84Å; L54-F75 HydrophobicContact CG-CZ 4.03Å; P56-F75 HydrophobicContact CB-CD1 3.66Å; P56-F75 HydrophobicContact CB-CD2 4.23Å; P56-F75 HydrophobicContact CB-CE1 3.64Å; P56-F75 HydrophobicContact CB-CE2 4.21Å; P56-F75 HydrophobicContact CB-CG 3.96Å; P56-F75 HydrophobicContact CB-CZ 3.93Å; P56-F75 HydrophobicContact CG-CD2 4.46Å; P56-F75 HydrophobicContact CG-CG 4.4Å; F75-E79 VanDerWaalsContact CA-OE2 3.32Å; F75-E79 WeakPolarHBondContact CA-OE2 3.43Å; F75-E79 WeakPolarHBondContact CB-OE2 3.46Å; F75-E79 HydrophobicContact CD1-CB 4.48Å; F75-E79 WeakPolarHBondContact CD1-OE2 3.46Å; F75-V80 HydrophobicContact CB-CG2 3.7Å; F75-I95 HydrophobicContact CD2-CG2 3.48Å; F75-I95 VanDerWaalsContact CD2-CG2 3.48Å; F75-I95 HydrophobicContact CE2-CG2 3.9Å; F75-I95 HydrophobicContact CG-CG2 4.32Å; F75-A96 WeakPolarHBondContact CD2-O 3.36Å; F75-A96 PolarHBondContact N-O 2.76Å; F75-V97 CarbonylContact O-C 3.58Å; F75-V97 WeakPolarHBondContact O-CA 3.42Å; F75-D98 PolarHBondContact O-N 3.06Å; F75-N112 HydrophobicContact CD1-CB 4.06Å; F75-N112 HydrophobicContact CE1-CB 3.95Å; F75-R115 HydrophobicContact CZ-CG 4.27Å; F75-L116 HydrophobicContact CD1-CD1 3.71Å; F75-L116 HydrophobicContact CD1-CD2 3.84Å; F75-L116 HydrophobicContact CD1-CG 3.7Å; F75-L116 HydrophobicContact CD2-CD2 3.84Å; F75-L116 HydrophobicContact CE1-CD1 4.07Å; F75-L116 HydrophobicContact CE1-CD2 3.72Å; F75-L116 HydrophobicContact CE1-CG 3.54Å; F75-L116 HydrophobicContact CE2-CD2 3.71Å; F75-L116 HydrophobicContact CE2-CG 4.45Å; F75-L116 HydrophobicContact CG-CD1 4.17Å; F75-L116 HydrophobicContact CG-CD2 3.91Å; F75-L116 HydrophobicContact CG-CG 4.25Å; F75-L116 HydrophobicContact CZ-CD2 3.65Å; F75-L116 HydrophobicContact CZ-CG 3.94Å
76	S	97.5	Very high	96	Very high	7 Å²	7	62 Å²	62	5%	0.049	32%	0.316	C	S	.	.			trans	-71.7	154.4	174.1	-179.5	0	0	0	0	110.4	Q78 E79 V80 R101	S76-Q78 PolarHBondContact O-N 2.75Å; S76-E79 PolarHBondContact N-OE2 3.34Å; S76-E79 PolarHBondContact O-N 2.84Å; S76-V80 WeakPolarHBondContact O-CG2 3.44Å; S76-V80 PolarHBondContact O-N 3.45Å; S76-V80 VanDerWaalsContact O-N 3.11Å; S76-R101 WeakPolarHBondContact CB-O 3.38Å; S76-R101 PolarHBondContact OG-O 3.02Å
77	L	97.3	Very high	96.2	Very high	56 Å²	56	59.7 Å²	59.7	29%	0.293	31%	0.305	S	S	.	.	H	α-helix	trans	-56.8	-36.7	174.7	-60.9	179.5	0	0	0	111.9	V80 R81 P87 V97 H99	L77-V80 PolarHBondContact O-N 3.45Å; L77-R81 WeakPolarHBondContact O-CB 3.27Å; L77-R81 VanDerWaalsContact O-CG 3.3Å; L77-R81 WeakPolarHBondContact O-CG 3.44Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-P87 HydrophobicContact CD2-CB 3.73Å; L77-P87 HydrophobicContact CD2-CG 3.78Å; L77-V97 HydrophobicContact CD2-CG1 3.86Å; L77-H99 HydrophobicContact CD1-CB 4.2Å; L77-H99 HydrophobicContact CG-CB 4.34Å
78	Q	96.7	Very high	96.4	Very high	97 Å²	97	59 Å²	59	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-44.8	178.6	-170.7	-175.2	15.5	0	0	111.9	S76 A82 L109	S76-Q78 PolarHBondContact O-N 2.75Å; Q78-A82 WeakPolarHBondContact O-CB 3.43Å; Q78-A82 PolarHBondContact O-N 3.4Å; Q78-L109 HydrophobicContact CB-CD1 4.49Å; Q78-L109 HydrophobicContact CG-CD1 4.01Å; Q78-L109 HydrophobicContact CG-CD2 4.49Å
79	E	97.7	Very high	96.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-42.1	178	-68.8	160.5	169.1	0	0	111.9	F75 S76 A82 A83 R101 N103 L109 N112 V113 L116	F75-E79 VanDerWaalsContact CA-OE2 3.32Å; F75-E79 WeakPolarHBondContact CA-OE2 3.43Å; F75-E79 WeakPolarHBondContact CB-OE2 3.46Å; F75-E79 HydrophobicContact CD1-CB 4.48Å; F75-E79 WeakPolarHBondContact CD1-OE2 3.46Å; S76-E79 PolarHBondContact N-OE2 3.34Å; S76-E79 PolarHBondContact O-N 2.84Å; E79-A82 PolarHBondContact O-N 3.01Å; E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 2.7Å; E79-R101 IonicContact OE1-CZ 3.76Å; E79-R101 IonicContact OE1-NH2 2.78Å; E79-R101 PolarHBondContact OE1-NH2 2.88Å; E79-R101 IonicContact OE2-CZ 3.69Å; E79-R101 IonicContact OE2-NH2 2.63Å; E79-R101 PolarHBondContact OE2-NH2 3.4Å; E79-N103 VanDerWaalsContact CD-ND2 3.26Å; E79-N103 VanDerWaalsContact CG-ND2 3.28Å; E79-N103 WeakPolarHBondContact CG-ND2 3.46Å; E79-N103 PolarHBondContact OE1-ND2 3.47Å; E79-N103 PolarHBondContact OE1-OD1 2.89Å; E79-L109 HydrophobicContact CB-CD1 4.28Å; E79-L109 HydrophobicContact CG-CD1 3.54Å; E79-N112 VanDerWaalsContact CD-CB 3.45Å; E79-N112 HydrophobicContact CG-CB 3.95Å; E79-N112 VanDerWaalsContact OE1-CB 3.3Å; E79-N112 WeakPolarHBondContact OE1-CB 3.27Å; E79-N112 PolarHBondContact OE1-ND2 2.99Å; E79-V113 HydrophobicContact CB-CG2 4.41Å; E79-L116 HydrophobicContact CB-CD1 4.2Å
80	V	97.5	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-44.2	-178.5	177.5	0	0	0	0	110.2	F75 S76 L77 A83 G84 L85 P87 A90 V97 L116	F75-V80 HydrophobicContact CB-CG2 3.7Å; S76-V80 WeakPolarHBondContact O-CG2 3.44Å; S76-V80 PolarHBondContact O-N 3.45Å; S76-V80 VanDerWaalsContact O-N 3.11Å; L77-V80 PolarHBondContact O-N 3.45Å; V80-A83 PolarHBondContact O-N 3.06Å; V80-G84 PolarHBondContact O-N 3.25Å; V80-L85 CarbonylContact C-O 3.55Å; V80-L85 HydrophobicContact CG1-CB 3.81Å; V80-L85 WeakPolarHBondContact CG1-O 3Å; V80-L85 PolarHBondContact O-N 2.79Å; V80-L85 VanDerWaalsContact O-N 3.07Å; V80-P87 HydrophobicContact CG1-CG 4.21Å; V80-A90 HydrophobicContact CG1-CB 3.81Å; V80-V97 HydrophobicContact CG2-CG2 4.25Å; V80-L116 HydrophobicContact CG2-CD1 4.36Å
81	R	96.7	Very high	96.7	Very high	173 Å²	173	56.3 Å²	56.3	65%	0.653	28%	0.283	S	S	*	.	H	α-helix	trans	-63.6	-44.7	173.9	-71	176.7	-175.9	175	0.4	111.8	L77 A83 G84	L77-R81 WeakPolarHBondContact O-CB 3.27Å; L77-R81 VanDerWaalsContact O-CG 3.3Å; L77-R81 WeakPolarHBondContact O-CG 3.44Å; L77-R81 PolarHBondContact O-N 2.92Å; R81-A83 PolarHBondContact O-N 2.91Å; R81-G84 PolarHBondContact O-N 3.48Å
82	A	96.8	Very high	96.7	Very high	56 Å²	56	57.4 Å²	57.4	46%	0.463	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-22.3	177.4	0	0	0	0	0	113.6	Q78 E79 G84 V113	Q78-A82 WeakPolarHBondContact O-CB 3.43Å; Q78-A82 PolarHBondContact O-N 3.4Å; E79-A82 PolarHBondContact O-N 3.01Å; A82-G84 VanDerWaalsContact C-N 3.29Å; A82-V113 HydrophobicContact CB-CG2 3.66Å
83	A	97	Very high	96.6	Very high	10 Å²	10	58 Å²	58	8%	0.083	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.4	171.2	0	0	0	0	0	113.8	E79 V80 R81 V113 L116	E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 2.7Å; V80-A83 PolarHBondContact O-N 3.06Å; R81-A83 PolarHBondContact O-N 2.91Å; A83-V113 HydrophobicContact CB-CG1 4.43Å; A83-L116 HydrophobicContact CB-CB 3.69Å; A83-L116 HydrophobicContact CB-CD1 3.7Å; A83-L116 HydrophobicContact CB-CG 4.34Å
84	G	95.6	Very high	96.6	Very high	63 Å²	63	51.6 Å²	51.6	65%	0.649	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	31.1	-178.4	0	0	0	0	0	113.4	V80 R81 A82	V80-G84 PolarHBondContact O-N 3.25Å; R81-G84 PolarHBondContact O-N 3.48Å; A82-G84 VanDerWaalsContact C-N 3.29Å
85	L	95.4	Very high	96.6	Very high	11 Å²	11	51.7 Å²	51.7	6%	0.058	27%	0.272	C	S	.	.			trans	-118.3	142.9	179.4	-65.5	170.7	0	0	0	110.8	V80 F89 I93 I95	V80-L85 CarbonylContact C-O 3.55Å; V80-L85 HydrophobicContact CG1-CB 3.81Å; V80-L85 WeakPolarHBondContact CG1-O 3Å; V80-L85 PolarHBondContact O-N 2.79Å; V80-L85 VanDerWaalsContact O-N 3.07Å; L85-F89 HydrophobicContact CD2-CD1 4.45Å; L85-I93 HydrophobicContact CD2-CD1 4.36Å; L85-I95 HydrophobicContact CD1-CD1 3.62Å
86	N	96.2	Very high	96.6	Very high	96 Å²	96	52.4 Å²	52.4	51%	0.513	28%	0.278	S	S	.	.			trans	-76.9	130.3	167.9	-179.3	-26.8	0	0	0	109.4	K88 F89 A90	N86-K88 PolarHBondContact O-N 3Å; N86-K88 VanDerWaalsContact O-N 3.14Å; N86-K88 PolarHBondContact OD1-N 3.28Å; N86-F89 HydrophobicContact CB-CB 4.04Å; N86-F89 CarbonylContact O-C 3.55Å; N86-F89 PolarHBondContact O-N 3.01Å; N86-A90 WeakPolarHBondContact O-CB 3.48Å; N86-A90 PolarHBondContact O-N 3.3Å
87	P	96	Very high	96.6	Very high	20 Å²	20	53.8 Å²	53.8	13%	0.13	29%	0.286	C	S	.	.	H	α-helix	trans	-55.7	-28.3	177.8	-27.5	35.3	0	0	0	116.1	L77 V80 R91	L77-P87 HydrophobicContact CD2-CB 3.73Å; L77-P87 HydrophobicContact CD2-CG 3.78Å; V80-P87 HydrophobicContact CG1-CG 4.21Å; P87-R91 PolarHBondContact O-NE 3.35Å
88	K	97	Very high	96.6	Very high	154 Å²	154	51.7 Å²	51.7	67%	0.67	28%	0.275	S	S	*	.	H	α-helix	trans	-71.2	-49.6	172.9	-71.2	-178.7	177.1	179.7	0	110.5	N86 A90 R91	N86-K88 PolarHBondContact O-N 3Å; N86-K88 VanDerWaalsContact O-N 3.14Å; N86-K88 PolarHBondContact OD1-N 3.28Å; K88-A90 PolarHBondContact O-N 3.35Å; K88-R91 PolarHBondContact O-N 3.27Å
89	F	95.2	Very high	96.6	Very high	61 Å²	61	53.6 Å²	53.6	27%	0.268	28%	0.284	S	S	.	.	H	α-helix	trans	-64.7	-38.1	178.2	-175.9	-99	0	0	0	112.8	L85 N86 R91 T92 I93 L125 M136	L85-F89 HydrophobicContact CD2-CD1 4.45Å; N86-F89 HydrophobicContact CB-CB 4.04Å; N86-F89 CarbonylContact O-C 3.55Å; N86-F89 PolarHBondContact O-N 3.01Å; F89-R91 PolarHBondContact O-N 3.24Å; F89-R91 VanDerWaalsContact O-N 3.15Å; F89-T92 PolarHBondContact O-N 3.38Å; F89-T92 PolarHBondContact O-OG1 2.98Å; F89-I93 HydrophobicContact CD1-CD1 4.3Å; F89-I93 HydrophobicContact CD1-CG2 4.22Å; F89-I93 HydrophobicContact CE1-CD1 3.96Å; F89-I93 HydrophobicContact CE1-CG1 4.37Å; F89-I93 HydrophobicContact CE1-CG2 3.48Å; F89-I93 VanDerWaalsContact CE1-CG2 3.48Å; F89-I93 HydrophobicContact CE2-CG2 4.1Å; F89-I93 HydrophobicContact CZ-CG2 3.43Å; F89-I93 VanDerWaalsContact CZ-CG2 3.43Å; F89-I93 PolarHBondContact O-N 3Å; F89-L125 HydrophobicContact CZ-CD2 4.1Å; F89-M136 HydrophobicContact CD1-CE 4.01Å; F89-M136 HydrophobicContact CE1-CE 3.11Å; F89-M136 HydrophobicContact CE1-SD 4.48Å; F89-M136 HydrophobicContact CZ-CE 3.42Å; F89-M136 VanDerWaalsContact CZ-CE 3.42Å
90	A	96.9	Very high	96.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-54.6	-38.2	176.7	0	0	0	0	0	112.1	V80 N86 K88 I93 G94 I95 V97	V80-A90 HydrophobicContact CG1-CB 3.81Å; N86-A90 WeakPolarHBondContact O-CB 3.48Å; N86-A90 PolarHBondContact O-N 3.3Å; K88-A90 PolarHBondContact O-N 3.35Å; A90-I93 VanDerWaalsContact O-CG1 3.3Å; A90-I93 WeakPolarHBondContact O-CG1 3.37Å; A90-G94 PolarHBondContact O-N 3.15Å; A90-I95 HydrophobicContact CB-CB 4.13Å; A90-I95 HydrophobicContact CB-CD1 4.25Å; A90-I95 HydrophobicContact CB-CG2 4.43Å; A90-I95 WeakPolarHBondContact O-CA 3.47Å; A90-I95 VanDerWaalsContact O-CB 3.27Å; A90-I95 WeakPolarHBondContact O-CB 3.27Å; A90-I95 PolarHBondContact O-N 3.05Å; A90-V97 HydrophobicContact CB-CG2 4.08Å
91	R	96.9	Very high	96.4	Very high	156 Å²	156	62.6 Å²	62.6	59%	0.589	32%	0.318	S	S	*	.	H	α-helix	trans	-67.5	-34	177.8	-72.9	-177.5	-84.8	172	-6.1	112.9	P87 K88 F89 G94 V97	P87-R91 PolarHBondContact O-NE 3.35Å; K88-R91 PolarHBondContact O-N 3.27Å; F89-R91 PolarHBondContact O-N 3.24Å; F89-R91 VanDerWaalsContact O-N 3.15Å; R91-G94 PolarHBondContact O-N 3Å; R91-V97 HydrophobicContact CG-CB 4.21Å; R91-V97 HydrophobicContact CG-CG2 3.91Å
92	T	95.7	Very high	96.2	Very high	85 Å²	85	65 Å²	65	52%	0.521	33%	0.327	S	S	.	.	H	α-helix	trans	-72.1	-37	-179.3	63.9	0	0	0	0	111.7	F89 G94	F89-T92 PolarHBondContact O-N 3.38Å; F89-T92 PolarHBondContact O-OG1 2.98Å; T92-G94 PolarHBondContact O-N 3.35Å
93	I	94.4	Very high	95.9	Very high	15 Å²	15	64.1 Å²	64.1	8%	0.077	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	4.9	177.6	64.6	168	0	0	0	114.3	L85 F89 A90 I95 Y119 L123 L125	L85-I93 HydrophobicContact CD2-CD1 4.36Å; F89-I93 HydrophobicContact CD1-CD1 4.3Å; F89-I93 HydrophobicContact CD1-CG2 4.22Å; F89-I93 HydrophobicContact CE1-CD1 3.96Å; F89-I93 HydrophobicContact CE1-CG1 4.37Å; F89-I93 HydrophobicContact CE1-CG2 3.48Å; F89-I93 VanDerWaalsContact CE1-CG2 3.48Å; F89-I93 HydrophobicContact CE2-CG2 4.1Å; F89-I93 HydrophobicContact CZ-CG2 3.43Å; F89-I93 VanDerWaalsContact CZ-CG2 3.43Å; F89-I93 PolarHBondContact O-N 3Å; A90-I93 VanDerWaalsContact O-CG1 3.3Å; A90-I93 WeakPolarHBondContact O-CG1 3.37Å; I93-I95 HydrophobicContact CD1-CD1 3.58Å; I93-I95 HydrophobicContact CD1-CG1 4.34Å; I93-I95 HydrophobicContact CG1-CD1 3.94Å; I93-I95 HydrophobicContact CG1-CG1 4.22Å; I93-Y119 PolarHBondContact O-OH 3.32Å; I93-Y119 VanDerWaalsContact O-OH 3.06Å; I93-L123 HydrophobicContact CB-CD2 3.9Å; I93-L123 HydrophobicContact CD1-CD2 3.98Å; I93-L123 HydrophobicContact CG1-CD2 4.45Å; I93-L123 HydrophobicContact CG2-CD2 4.34Å; I93-L125 HydrophobicContact CG2-CD1 3.98Å; I93-L125 HydrophobicContact CG2-CD2 4.34Å
94	G	95.7	Very high	95.6	Very high	22 Å²	22	70.8 Å²	70.8	23%	0.227	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	31.5	175.1	0	0	0	0	0	115	P53 L54 A90 R91 T92	P53-G94 CarbonylContact C-O 3.41Å; P53-G94 WeakPolarHBondContact CA-O 3.17Å; P53-G94 WeakPolarHBondContact CB-O 3.46Å; L54-G94 PolarHBondContact N-O 3.3Å; A90-G94 PolarHBondContact O-N 3.15Å; R91-G94 PolarHBondContact O-N 3Å; T92-G94 PolarHBondContact O-N 3.35Å
95	I	97.6	Very high	95.6	Very high	3 Å²	3	70.4 Å²	70.4	2%	0.015	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-103.7	126.8	169.2	-59.2	165.7	0	0	0	108.7	F75 L85 A90 I93 L116 Y119	F75-I95 HydrophobicContact CD2-CG2 3.48Å; F75-I95 VanDerWaalsContact CD2-CG2 3.48Å; F75-I95 HydrophobicContact CE2-CG2 3.9Å; F75-I95 HydrophobicContact CG-CG2 4.32Å; L85-I95 HydrophobicContact CD1-CD1 3.62Å; A90-I95 HydrophobicContact CB-CB 4.13Å; A90-I95 HydrophobicContact CB-CD1 4.25Å; A90-I95 HydrophobicContact CB-CG2 4.43Å; A90-I95 WeakPolarHBondContact O-CA 3.47Å; A90-I95 VanDerWaalsContact O-CB 3.27Å; A90-I95 WeakPolarHBondContact O-CB 3.27Å; A90-I95 PolarHBondContact O-N 3.05Å; I93-I95 HydrophobicContact CD1-CD1 3.58Å; I93-I95 HydrophobicContact CD1-CG1 4.34Å; I93-I95 HydrophobicContact CG1-CD1 3.94Å; I93-I95 HydrophobicContact CG1-CG1 4.22Å; I95-L116 HydrophobicContact CD1-CD2 3.97Å; I95-L116 HydrophobicContact CG1-CD2 4.39Å; I95-L116 HydrophobicContact CG2-CD2 3.66Å; I95-Y119 HydrophobicContact CD1-CD1 3.98Å; I95-Y119 HydrophobicContact CD1-CE1 4.1Å; I95-Y119 HydrophobicContact CG1-CD1 3.78Å; I95-Y119 HydrophobicContact CG1-CE1 3.59Å
96	A	97.8	Very high	95.6	Very high	16 Å²	16	74.1 Å²	74.1	13%	0.132	36%	0.364	C	S	.	.			trans	-76.2	130.5	175.5	0	0	0	0	0	109.9	P53 L54 R55 R73 G74 F75	P53-A96 HydrophobicContact CB-CB 4.24Å; P53-A96 HydrophobicContact CG-CB 4.07Å; L54-A96 WeakPolarHBondContact O-CB 3.3Å; L54-A96 PolarHBondContact O-N 3.49Å; R55-A96 HydrophobicContact CG-CB 4.36Å; R73-A96 WeakPolarHBondContact O-CB 3.04Å; G74-A96 CarbonylContact C-O 3.42Å; G74-A96 WeakPolarHBondContact CA-O 3.48Å; F75-A96 WeakPolarHBondContact CD2-O 3.36Å; F75-A96 PolarHBondContact N-O 2.76Å
97	V	97.9	Very high	95.5	Very high	35 Å²	35	75.4 Å²	75.4	21%	0.212	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-117.3	131.5	179.3	-178.1	0	0	0	0	109.2	F75 L77 V80 A90 R91	F75-V97 CarbonylContact O-C 3.58Å; F75-V97 WeakPolarHBondContact O-CA 3.42Å; L77-V97 HydrophobicContact CD2-CG1 3.86Å; V80-V97 HydrophobicContact CG2-CG2 4.25Å; A90-V97 HydrophobicContact CB-CG2 4.08Å; R91-V97 HydrophobicContact CG-CB 4.21Å; R91-V97 HydrophobicContact CG-CG2 3.91Å
98	D	97.4	Very high	95.4	Very high	13 Å²	13	75.1 Å²	75.1	7%	0.07	37%	0.367	C	S	.	.			trans	-121.9	104.1	172.5	-170.8	-0.7	0	0	0	109.4	R73 F75 R100 R101	R73-D98 HydrophobicContact CB-CB 4.47Å; R73-D98 WeakPolarHBondContact CD-OD2 3.46Å; R73-D98 IonicContact NH1-OD1 3.71Å; F75-D98 PolarHBondContact O-N 3.06Å; D98-R100 PolarHBondContact O-N 2.8Å; D98-R100 IonicContact OD1-CZ 3.75Å; D98-R100 PolarHBondContact OD1-N 2.89Å; D98-R100 IonicContact OD1-NE 3.02Å; D98-R100 PolarHBondContact OD1-NE 3.15Å; D98-R100 IonicContact OD1-NH2 3.55Å; D98-R100 IonicContact OD2-CZ 3.93Å; D98-R100 IonicContact OD2-NE 3.88Å; D98-R100 IonicContact OD2-NH2 3.04Å; D98-R100 PolarHBondContact OD2-NH2 2.87Å; D98-R101 PolarHBondContact O-N 2.71Å
99	H	96.2	Very high	95.3	Very high	136 Å²	136	69.2 Å²	69.2	63%	0.63	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.3	-178.1	63.9	88.5	0	0	0	113.5	L77	L77-H99 HydrophobicContact CD1-CB 4.2Å; L77-H99 HydrophobicContact CG-CB 4.34Å
100	R	96.7	Very high	95.4	Very high	150 Å²	150	72.2 Å²	72.2	57%	0.566	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-19.4	-177.5	-56.5	169.8	-59	153.7	19.7	112.4	R73 D98	R73-R100 VanDerWaalsContact NH1-NE 3.18Å; D98-R100 PolarHBondContact O-N 2.8Å; D98-R100 IonicContact OD1-CZ 3.75Å; D98-R100 PolarHBondContact OD1-N 2.89Å; D98-R100 IonicContact OD1-NE 3.02Å; D98-R100 PolarHBondContact OD1-NE 3.15Å; D98-R100 IonicContact OD1-NH2 3.55Å; D98-R100 IonicContact OD2-CZ 3.93Å; D98-R100 IonicContact OD2-NE 3.88Å; D98-R100 IonicContact OD2-NH2 3.04Å; D98-R100 PolarHBondContact OD2-NH2 2.87Å
101	R	95.2	Very high	95.4	Very high	39 Å²	39	76.8 Å²	76.8	15%	0.147	38%	0.375	C	S	.	.			trans	-78.7	128.4	-176.1	-169.8	174.7	78.3	-174.4	12.4	110.9	P56 G74 S76 E79 D98 N112	P56-R101 VanDerWaalsContact CB-NH2 3.3Å; G74-R101 PolarHBondContact O-NH1 3.27Å; S76-R101 WeakPolarHBondContact CB-O 3.38Å; S76-R101 PolarHBondContact OG-O 3.02Å; E79-R101 IonicContact OE1-CZ 3.76Å; E79-R101 IonicContact OE1-NH2 2.78Å; E79-R101 PolarHBondContact OE1-NH2 2.88Å; E79-R101 IonicContact OE2-CZ 3.69Å; E79-R101 IonicContact OE2-NH2 2.63Å; E79-R101 PolarHBondContact OE2-NH2 3.4Å; D98-R101 PolarHBondContact O-N 2.71Å; R101-N112 PolarHBondContact NH2-ND2 3.19Å; R101-N112 VanDerWaalsContact NH2-ND2 3.15Å
102	R	93.5	Very high	95.4	Very high	223 Å²	223	69.5 Å²	69.5	84%	0.842	35%	0.348	S	S	*	.			trans	-107.9	142.3	170.3	-58.5	-179.2	-177.6	177.5	-0.7	109.2
103	N	88.8	Confident	95.5	Very high	38 Å²	38	66.3 Å²	66.3	20%	0.203	33%	0.328	C	S	.	.			trans	-97.1	130.1	171.3	-79.7	-39.7	0	0	0	108.9	E79 L109	E79-N103 VanDerWaalsContact CD-ND2 3.26Å; E79-N103 VanDerWaalsContact CG-ND2 3.28Å; E79-N103 WeakPolarHBondContact CG-ND2 3.46Å; E79-N103 PolarHBondContact OE1-ND2 3.47Å; E79-N103 PolarHBondContact OE1-OD1 2.89Å; N103-L109 HydrophobicContact CB-CB 4.47Å
104	V	92.3	Very high	95.6	Very high	150 Å²	150	68.3 Å²	68.3	91%	0.909	35%	0.347	S	S	*	.			trans	-99	-37.4	175.6	-175.2	0	0	0	0	110.3
105	S	93.9	Very high	95.7	Very high	55 Å²	55	68.6 Å²	68.6	39%	0.385	34%	0.341	S	S	.	.			trans	-91.9	138	179.9	61	0	0	0	0	112.4	E107 G108 L109	S105-E107 VanDerWaalsContact C-N 3.34Å; S105-E107 WeakPolarHBondContact CB-OE2 3.38Å; S105-G108 PolarHBondContact O-N 3.01Å; S105-G108 PolarHBondContact OG-N 3.42Å; S105-L109 PolarHBondContact O-N 3.2Å
106	V	95.8	Very high	95.7	Very high	89 Å²	89	68.5 Å²	68.5	54%	0.539	34%	0.341	S	S	.	.	H	α-helix	trans	-66.4	-37.4	172.6	178.2	0	0	0	0	111	G108 L109 Q110	V106-G108 VanDerWaalsContact C-N 3.33Å; V106-G108 PolarHBondContact O-N 3.02Å; V106-L109 WeakPolarHBondContact O-CB 3.48Å; V106-L109 PolarHBondContact O-N 2.83Å; V106-Q110 HydrophobicContact CG1-CG 4.19Å; V106-Q110 WeakPolarHBondContact O-CG 3.34Å; V106-Q110 PolarHBondContact O-N 2.94Å
107	E	94	Very high	95.7	Very high	124 Å²	124	73.7 Å²	73.7	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-40.7	-179.7	-56.3	85.5	168.2	0	0	111.5	S105 R111	S105-E107 VanDerWaalsContact C-N 3.34Å; S105-E107 WeakPolarHBondContact CB-OE2 3.38Å; E107-R111 WeakPolarHBondContact O-CB 3.46Å; E107-R111 PolarHBondContact O-N 2.98Å
108	G	93.9	Very high	95.6	Very high	13 Å²	13	74.1 Å²	74.1	13%	0.134	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-43.4	175.6	0	0	0	0	0	112.2	S105 V106 N112	S105-G108 PolarHBondContact O-N 3.01Å; S105-G108 PolarHBondContact OG-N 3.42Å; V106-G108 VanDerWaalsContact C-N 3.33Å; V106-G108 PolarHBondContact O-N 3.02Å; G108-N112 PolarHBondContact O-N 3.04Å; G108-N112 PolarHBondContact O-ND2 2.78Å
109	L	96.4	Very high	95.6	Very high	30 Å²	30	74.7 Å²	74.7	16%	0.157	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-55.3	175.2	174.6	64.9	0	0	0	110.8	Q78 E79 N103 S105 V106 R111 N112 V113	Q78-L109 HydrophobicContact CB-CD1 4.49Å; Q78-L109 HydrophobicContact CG-CD1 4.01Å; Q78-L109 HydrophobicContact CG-CD2 4.49Å; E79-L109 HydrophobicContact CB-CD1 4.28Å; E79-L109 HydrophobicContact CG-CD1 3.54Å; N103-L109 HydrophobicContact CB-CB 4.47Å; S105-L109 PolarHBondContact O-N 3.2Å; V106-L109 WeakPolarHBondContact O-CB 3.48Å; V106-L109 PolarHBondContact O-N 2.83Å; L109-R111 VanDerWaalsContact C-N 3.35Å; L109-R111 PolarHBondContact O-N 3.14Å; L109-N112 PolarHBondContact O-N 2.99Å; L109-V113 HydrophobicContact CD1-CG2 4.15Å; L109-V113 HydrophobicContact CG-CG2 4.48Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 2.99Å
110	Q	96.7	Very high	95.5	Very high	124 Å²	124	72.5 Å²	72.5	58%	0.579	36%	0.358	S	S	*	.	H	α-helix	trans	-59.3	-43.3	-178.5	-72.3	177.9	-8.5	0	0	112.3	V106 N112 V113 A114	V106-Q110 HydrophobicContact CG1-CG 4.19Å; V106-Q110 WeakPolarHBondContact O-CG 3.34Å; V106-Q110 PolarHBondContact O-N 2.94Å; Q110-N112 VanDerWaalsContact C-N 3.31Å; Q110-N112 PolarHBondContact O-N 3.21Å; Q110-V113 PolarHBondContact O-N 2.84Å; Q110-A114 WeakPolarHBondContact O-CB 3.32Å; Q110-A114 PolarHBondContact O-N 2.94Å
111	R	95.7	Very high	95.4	Very high	97 Å²	97	69.5 Å²	69.5	37%	0.366	37%	0.365	S	S	.	.	H	α-helix	trans	-57.5	-43.6	177.2	-173.6	-171.6	-54.1	170.8	0.7	112	I57 N59 E107 L109 R115	I57-R111 HydrophobicContact CD1-CG 4.1Å; N59-R111 PolarHBondContact OD1-NH1 3.45Å; E107-R111 WeakPolarHBondContact O-CB 3.46Å; E107-R111 PolarHBondContact O-N 2.98Å; L109-R111 VanDerWaalsContact C-N 3.35Å; L109-R111 PolarHBondContact O-N 3.14Å; R111-R115 WeakPolarHBondContact O-CB 3.49Å; R111-R115 PolarHBondContact O-N 3.14Å; R111-R115 VanDerWaalsContact O-N 3.09Å
112	N	97.4	Very high	95.4	Very high	3 Å²	3	74.8 Å²	74.8	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-76.3	-34.8	180	-78.9	-32.3	0	0	0	112.6	I57 F75 E79 R101 G108 L109 Q110 R115 L116	I57-N112 WeakPolarHBondContact CB-OD1 3.44Å; I57-N112 PolarHBondContact N-OD1 3.23Å; I57-N112 PolarHBondContact O-ND2 3.26Å; I57-N112 PolarHBondContact O-OD1 2.85Å; F75-N112 HydrophobicContact CD1-CB 4.06Å; F75-N112 HydrophobicContact CE1-CB 3.95Å; E79-N112 VanDerWaalsContact CD-CB 3.45Å; E79-N112 HydrophobicContact CG-CB 3.95Å; E79-N112 VanDerWaalsContact OE1-CB 3.3Å; E79-N112 WeakPolarHBondContact OE1-CB 3.27Å; E79-N112 PolarHBondContact OE1-ND2 2.99Å; R101-N112 PolarHBondContact NH2-ND2 3.19Å; R101-N112 VanDerWaalsContact NH2-ND2 3.15Å; G108-N112 PolarHBondContact O-N 3.04Å; G108-N112 PolarHBondContact O-ND2 2.78Å; L109-N112 PolarHBondContact O-N 2.99Å; Q110-N112 VanDerWaalsContact C-N 3.31Å; Q110-N112 PolarHBondContact O-N 3.21Å; N112-R115 WeakPolarHBondContact O-CB 3.4Å; N112-R115 PolarHBondContact O-N 3.28Å; N112-L116 WeakPolarHBondContact O-CG 3.46Å; N112-L116 PolarHBondContact O-N 2.86Å
113	V	97.6	Very high	95.4	Very high	17 Å²	17	66.5 Å²	66.5	10%	0.103	36%	0.361	C	S	.	.	H	α-helix	trans	-62	-46.3	171.5	172.1	0	0	0	0	110.7	E79 A82 A83 L109 Q110 R115 L116 K117	E79-V113 HydrophobicContact CB-CG2 4.41Å; A82-V113 HydrophobicContact CB-CG2 3.66Å; A83-V113 HydrophobicContact CB-CG1 4.43Å; L109-V113 HydrophobicContact CD1-CG2 4.15Å; L109-V113 HydrophobicContact CG-CG2 4.48Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 2.99Å; Q110-V113 PolarHBondContact O-N 2.84Å; V113-R115 VanDerWaalsContact C-N 3.28Å; V113-R115 PolarHBondContact O-N 3.09Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 3.37Å; V113-L116 VanDerWaalsContact O-N 3.14Å; V113-K117 HydrophobicContact CG1-CD 4.35Å; V113-K117 WeakPolarHBondContact O-CG 3.45Å; V113-K117 PolarHBondContact O-N 2.94Å
114	A	97.1	Very high	95.7	Very high	58 Å²	58	67.8 Å²	67.8	48%	0.479	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-40.2	175.4	0	0	0	0	0	111.6	Q110 K117 A118	Q110-A114 WeakPolarHBondContact O-CB 3.32Å; Q110-A114 PolarHBondContact O-N 2.94Å; A114-K117 PolarHBondContact O-N 3.44Å; A114-A118 WeakPolarHBondContact O-CB 3.42Å; A114-A118 PolarHBondContact O-N 3.36Å
115	R	97.5	Very high	95.8	Very high	28 Å²	28	62.4 Å²	62.4	11%	0.106	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-39.7	174.9	-178.3	173.8	179.6	79.3	1	113	L54 R55 F75 R111 N112 V113 Y119 L154	L54-R115 HydrophobicContact CD2-CG 4.41Å; R55-R115 PolarHBondContact O-NE 3Å; R55-R115 PolarHBondContact O-NH2 3.17Å; R55-R115 VanDerWaalsContact O-NH2 3.15Å; F75-R115 HydrophobicContact CZ-CG 4.27Å; R111-R115 WeakPolarHBondContact O-CB 3.49Å; R111-R115 PolarHBondContact O-N 3.14Å; R111-R115 VanDerWaalsContact O-N 3.09Å; N112-R115 WeakPolarHBondContact O-CB 3.4Å; N112-R115 PolarHBondContact O-N 3.28Å; V113-R115 VanDerWaalsContact C-N 3.28Å; V113-R115 PolarHBondContact O-N 3.09Å; R115-Y119 PolarHBondContact O-N 3.36Å; R115-L154 VanDerWaalsContact CZ-O 3.23Å; R115-L154 PolarHBondContact NH1-O 3.21Å; R115-L154 PolarHBondContact NH2-O 3.3Å
116	L	97.9	Very high	95.8	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-65.3	-44.8	174.8	-72.9	171	0	0	0	111.4	L54 F75 E79 V80 A83 I95 N112 V113 A118 Y119 K120	L54-L116 HydrophobicContact CD2-CD2 4.22Å; F75-L116 HydrophobicContact CD1-CD1 3.71Å; F75-L116 HydrophobicContact CD1-CD2 3.84Å; F75-L116 HydrophobicContact CD1-CG 3.7Å; F75-L116 HydrophobicContact CD2-CD2 3.84Å; F75-L116 HydrophobicContact CE1-CD1 4.07Å; F75-L116 HydrophobicContact CE1-CD2 3.72Å; F75-L116 HydrophobicContact CE1-CG 3.54Å; F75-L116 HydrophobicContact CE2-CD2 3.71Å; F75-L116 HydrophobicContact CE2-CG 4.45Å; F75-L116 HydrophobicContact CG-CD1 4.17Å; F75-L116 HydrophobicContact CG-CD2 3.91Å; F75-L116 HydrophobicContact CG-CG 4.25Å; F75-L116 HydrophobicContact CZ-CD2 3.65Å; F75-L116 HydrophobicContact CZ-CG 3.94Å; E79-L116 HydrophobicContact CB-CD1 4.2Å; V80-L116 HydrophobicContact CG2-CD1 4.36Å; A83-L116 HydrophobicContact CB-CB 3.69Å; A83-L116 HydrophobicContact CB-CD1 3.7Å; A83-L116 HydrophobicContact CB-CG 4.34Å; I95-L116 HydrophobicContact CD1-CD2 3.97Å; I95-L116 HydrophobicContact CG1-CD2 4.39Å; I95-L116 HydrophobicContact CG2-CD2 3.66Å; N112-L116 WeakPolarHBondContact O-CG 3.46Å; N112-L116 PolarHBondContact O-N 2.86Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 3.37Å; V113-L116 VanDerWaalsContact O-N 3.14Å; L116-A118 PolarHBondContact O-N 3.23Å; L116-Y119 PolarHBondContact O-N 3.15Å; L116-K120 PolarHBondContact O-N 3.25Å
117	K	97.2	Very high	95.7	Very high	124 Å²	124	61.2 Å²	61.2	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-44	175.5	-69.9	-179.3	178.2	-176.1	0	111.7	V113 A114 Y119 K120 A121	V113-K117 HydrophobicContact CG1-CD 4.35Å; V113-K117 WeakPolarHBondContact O-CG 3.45Å; V113-K117 PolarHBondContact O-N 2.94Å; A114-K117 PolarHBondContact O-N 3.44Å; K117-Y119 VanDerWaalsContact C-N 3.3Å; K117-Y119 PolarHBondContact O-N 2.63Å; K117-K120 PolarHBondContact O-N 3.11Å; K117-A121 PolarHBondContact O-N 2.72Å
118	A	97.1	Very high	95.5	Very high	44 Å²	44	63.7 Å²	63.7	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-32.6	176.1	0	0	0	0	0	113.2	A114 L116 K122	A114-A118 WeakPolarHBondContact O-CB 3.42Å; A114-A118 PolarHBondContact O-N 3.36Å; L116-A118 PolarHBondContact O-N 3.23Å; A118-K122 WeakPolarHBondContact O-CG 3.47Å
119	Y	97	Very high	95.4	Very high	25 Å²	25	66.8 Å²	66.8	10%	0.098	35%	0.347	C	S	.	.	H	α-helix	trans	-71.4	-45.6	172.8	178.3	-109.9	0	0	0	111.8	L54 I93 I95 R115 L116 K117 A121 K122 L123 V153 L154	L54-Y119 HydrophobicContact CB-CD2 4.32Å; L54-Y119 HydrophobicContact CB-CE2 4.38Å; L54-Y119 HydrophobicContact CB-CG 4.4Å; L54-Y119 HydrophobicContact CD1-CD2 4.27Å; L54-Y119 HydrophobicContact CD2-CD1 4.02Å; L54-Y119 HydrophobicContact CD2-CD2 4.14Å; L54-Y119 HydrophobicContact CD2-CG 3.62Å; L54-Y119 HydrophobicContact CG-CD2 4.48Å; L54-Y119 HydrophobicContact CG-CG 4.41Å; I93-Y119 PolarHBondContact O-OH 3.32Å; I93-Y119 VanDerWaalsContact O-OH 3.06Å; I95-Y119 HydrophobicContact CD1-CD1 3.98Å; I95-Y119 HydrophobicContact CD1-CE1 4.1Å; I95-Y119 HydrophobicContact CG1-CD1 3.78Å; I95-Y119 HydrophobicContact CG1-CE1 3.59Å; R115-Y119 PolarHBondContact O-N 3.36Å; L116-Y119 PolarHBondContact O-N 3.15Å; K117-Y119 VanDerWaalsContact C-N 3.3Å; K117-Y119 PolarHBondContact O-N 2.63Å; Y119-A121 VanDerWaalsContact C-N 3.28Å; Y119-A121 PolarHBondContact O-N 2.78Å; Y119-K122 CarbonylContact O-C 3.6Å; Y119-K122 PolarHBondContact O-N 2.8Å; Y119-L123 HydrophobicContact CE1-CD1 4.31Å; Y119-L123 HydrophobicContact CE1-CD2 4.46Å; Y119-L123 PolarHBondContact O-N 3.2Å; Y119-V153 HydrophobicContact CD2-CG1 3.82Å; Y119-V153 HydrophobicContact CE2-CG1 3.64Å; Y119-L154 HydrophobicContact CD2-CD1 4.35Å
120	K	94.4	Very high	95	Very high	90 Å²	90	70.6 Å²	70.6	39%	0.391	37%	0.374	S	S	.	.	H	α-helix	trans	-55.6	-43.6	177.2	-173.4	-180	179	177.1	0	111.5	L116 K117 K122 L123 M136	L116-K120 PolarHBondContact O-N 3.25Å; K117-K120 PolarHBondContact O-N 3.11Å; K120-K122 PolarHBondContact O-N 2.98Å; K120-L123 PolarHBondContact O-N 3.29Å; K120-M136 WeakPolarHBondContact CE-SD 3.47Å
121	A	94.4	Very high	94.6	Very high	88 Å²	88	68.6 Å²	68.6	73%	0.727	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.2	177.5	0	0	0	0	0	114.5	K117 Y119	K117-A121 PolarHBondContact O-N 2.72Å; Y119-A121 VanDerWaalsContact C-N 3.28Å; Y119-A121 PolarHBondContact O-N 2.78Å
122	K	94	Very high	94.4	Very high	150 Å²	150	71.8 Å²	71.8	65%	0.652	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-3.8	179.8	-68	179.7	179.5	-173.8	0	113.1	A118 Y119 K120 L154	A118-K122 WeakPolarHBondContact O-CG 3.47Å; Y119-K122 CarbonylContact O-C 3.6Å; Y119-K122 PolarHBondContact O-N 2.8Å; K120-K122 PolarHBondContact O-N 2.98Å; K122-L154 HydrophobicContact CD-CD2 4.13Å
123	L	94.7	Very high	93.9	Very high	49 Å²	49	75.7 Å²	75.7	26%	0.257	42%	0.421	S	S	.	.			trans	-81.4	122.6	-176.1	178.8	68.1	0	0	0	108.9	I93 Y119 K120	I93-L123 HydrophobicContact CB-CD2 3.9Å; I93-L123 HydrophobicContact CD1-CD2 3.98Å; I93-L123 HydrophobicContact CG1-CD2 4.45Å; I93-L123 HydrophobicContact CG2-CD2 4.34Å; Y119-L123 HydrophobicContact CE1-CD1 4.31Å; Y119-L123 HydrophobicContact CE1-CD2 4.46Å; Y119-L123 PolarHBondContact O-N 3.2Å; K120-L123 PolarHBondContact O-N 3.29Å
124	I	94.7	Very high	93.6	Very high	65 Å²	65	81.3 Å²	81.3	33%	0.333	45%	0.446	S	S	.	.			trans	-94.2	104.4	166.4	-58.1	175.4	0	0	0	106.3	F126 A138 E142 A146	I124-F126 HydrophobicContact CG2-CD2 4.28Å; I124-F126 HydrophobicContact CG2-CE2 4Å; I124-A138 HydrophobicContact CB-CB 4.42Å; I124-A138 HydrophobicContact CG2-CB 3.47Å; I124-A138 VanDerWaalsContact CG2-CB 3.47Å; I124-E142 HydrophobicContact CG2-CB 4.48Å; I124-A146 HydrophobicContact CD1-CB 4.2Å; I124-A146 HydrophobicContact CG2-CB 4.31Å
125	L	94.7	Very high	93.1	Very high	37 Å²	37	84 Å²	84	19%	0.194	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-92.5	123.2	176.8	-174.1	62.4	0	0	0	109.2	F89 I93 M136 D137 A138	F89-L125 HydrophobicContact CZ-CD2 4.1Å; I93-L125 HydrophobicContact CG2-CD1 3.98Å; I93-L125 HydrophobicContact CG2-CD2 4.34Å; L125-M136 WeakPolarHBondContact CB-O 3.37Å; L125-M136 HydrophobicContact CD2-CB 4.25Å; L125-D137 WeakPolarHBondContact CD2-OD1 3.47Å; L125-A138 WeakPolarHBondContact O-CB 3.33Å; L125-A138 PolarHBondContact O-N 2.85Å
126	F	93.6	Very high	92.6	Very high	86 Å²	86	86.3 Å²	86.3	38%	0.377	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-79.2	131.4	179.3	-79.4	-130.2	0	0	0	108.7	P47 I124 L128 V143 A146	P47-F126 HydrophobicContact CB-CZ 4.42Å; P47-F126 HydrophobicContact CG-CD2 4.48Å; P47-F126 HydrophobicContact CG-CE1 4.16Å; P47-F126 HydrophobicContact CG-CE2 3.81Å; P47-F126 HydrophobicContact CG-CZ 3.64Å; I124-F126 HydrophobicContact CG2-CD2 4.28Å; I124-F126 HydrophobicContact CG2-CE2 4Å; F126-L128 PolarHBondContact O-N 3.49Å; F126-V143 HydrophobicContact CD1-CG1 3.88Å; F126-V143 HydrophobicContact CE1-CG1 3.5Å; F126-V143 VanDerWaalsContact CE1-CG1 3.5Å; F126-V143 HydrophobicContact CE2-CG1 4.42Å; F126-V143 HydrophobicContact CZ-CG1 3.77Å; F126-A146 HydrophobicContact CE2-CB 3.69Å; F126-A146 HydrophobicContact CZ-CB 3.66Å
127	P	93.2	Very high	92.3	Very high	32 Å²	32	87.6 Å²	87.6	21%	0.208	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-63.1	136.4	175.2	26.4	-33.1	0	0	0	109.9	N129 D137	P127-N129 VanDerWaalsContact C-N 3.32Å; P127-D137 WeakPolarHBondContact CA-OD2 3.43Å; P127-D137 HydrophobicContact CB-CB 4Å
128	L	91.3	Very high	92	Very high	177 Å²	177	82.1 Å²	82.1	93%	0.927	47%	0.466	S	S	*	.	S	Bend	trans	-67.7	-37.3	173.6	-71.3	174.8	0	0	0	111.4	F126	F126-L128 PolarHBondContact O-N 3.49Å
129	N	90.7	Very high	91.7	Very high	77 Å²	77	87.6 Å²	87.6	41%	0.412	48%	0.482	S	S	.	.	S	Bend	trans	-122.6	112.4	172.2	-176.1	-12.7	0	0	0	108.4	P127 A131 K132	P127-N129 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 3.42Å; N129-A131 VanDerWaalsContact O-N 3.16Å; N129-A131 WeakPolarHBondContact OD1-CB 3.21Å; N129-A131 PolarHBondContact OD1-N 2.9Å; N129-K132 CarbonylContact O-C 3.56Å; N129-K132 PolarHBondContact O-N 3.07Å
130	P	87.4	Confident	91.3	Very high	110 Å²	110	89.7 Å²	89.7	71%	0.714	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.4	-179.2	26.2	-34.3	0	0	0	113.2
131	A	90.1	Very high	91.1	Very high	83 Å²	83	90.4 Å²	90.4	69%	0.686	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.2	176.6	0	0	0	0	0	113.8	N129	N129-A131 PolarHBondContact O-N 3.42Å; N129-A131 VanDerWaalsContact O-N 3.16Å; N129-A131 WeakPolarHBondContact OD1-CB 3.21Å; N129-A131 PolarHBondContact OD1-N 2.9Å
132	K	90.2	Very high	90.9	Very high	164 Å²	164	90.8 Å²	90.8	71%	0.713	50%	0.499	S	S	*	.	S	Bend	trans	-134.8	64.7	-178.4	-63.8	-174.8	-178.9	-178.2	0	110.9	N129	N129-K132 CarbonylContact O-C 3.56Å; N129-K132 PolarHBondContact O-N 3.07Å
133	P	88.1	Confident	90.8	Very high	84 Å²	84	85.4 Å²	85.4	55%	0.545	48%	0.478	S	S	.	.			trans	-64.1	136.7	179.2	27.8	-34.1	0	0	0	111	D137	P133-D137 HydrophobicContact CB-CB 4.3Å
134	Q	89.7	Confident	90.6	Very high	135 Å²	135	91.3 Å²	91.3	63%	0.631	50%	0.502	S	S	*	.			trans	-86.7	166.2	174.5	-61.2	-171.3	-12	0	0	111.3	M136 D137	Q134-M136 PolarHBondContact O-N 3.22Å; Q134-D137 WeakPolarHBondContact CB-OD2 3.39Å; Q134-D137 PolarHBondContact N-OD2 3.16Å; Q134-D137 WeakPolarHBondContact O-CB 3.3Å; Q134-D137 PolarHBondContact O-N 2.95Å
135	A	87.2	Confident	90.5	Very high	115 Å²	115	95.9 Å²	95.9	95%	0.95	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.5	-176.4	0	0	0	0	0	115.4
136	M	87.3	Confident	90.3	Very high	76 Å²	76	95.2 Å²	95.2	37%	0.374	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-1.9	175.8	-72.3	-160.4	-64.3	0	0	113.9	F89 K120 L125 Q134	F89-M136 HydrophobicContact CD1-CE 4.01Å; F89-M136 HydrophobicContact CE1-CE 3.11Å; F89-M136 HydrophobicContact CE1-SD 4.48Å; F89-M136 HydrophobicContact CZ-CE 3.42Å; F89-M136 VanDerWaalsContact CZ-CE 3.42Å; K120-M136 WeakPolarHBondContact CE-SD 3.47Å; L125-M136 WeakPolarHBondContact CB-O 3.37Å; L125-M136 HydrophobicContact CD2-CB 4.25Å; Q134-M136 PolarHBondContact O-N 3.22Å
137	D	91.5	Very high	90.3	Very high	28 Å²	28	97 Å²	97	15%	0.15	54%	0.538	C	S	.	.	S	Bend	trans	-75.6	144.7	178.2	-66.6	-27.3	0	0	0	110.4	L125 P127 P133 Q134	L125-D137 WeakPolarHBondContact CD2-OD1 3.47Å; P127-D137 WeakPolarHBondContact CA-OD2 3.43Å; P127-D137 HydrophobicContact CB-CB 4Å; P133-D137 HydrophobicContact CB-CB 4.3Å; Q134-D137 WeakPolarHBondContact CB-OD2 3.39Å; Q134-D137 PolarHBondContact N-OD2 3.16Å; Q134-D137 WeakPolarHBondContact O-CB 3.3Å; Q134-D137 PolarHBondContact O-N 2.95Å
138	A	91.3	Very high	90.3	Very high	10 Å²	10	98.2 Å²	98.2	8%	0.083	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-74.2	149.5	179.7	0	0	0	0	0	111.1	I124 L125 E142 V143	I124-A138 HydrophobicContact CB-CB 4.42Å; I124-A138 HydrophobicContact CG2-CB 3.47Å; I124-A138 VanDerWaalsContact CG2-CB 3.47Å; L125-A138 WeakPolarHBondContact O-CB 3.33Å; L125-A138 PolarHBondContact O-N 2.85Å; A138-E142 WeakPolarHBondContact CA-OE2 3.28Å; A138-E142 HydrophobicContact CB-CB 4.05Å; A138-E142 WeakPolarHBondContact CB-OE2 3.32Å; A138-V143 HydrophobicContact CB-CG2 3.96Å
139	K	89.9	Confident	90.4	Very high	159 Å²	159	93.6 Å²	93.6	69%	0.691	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-68.4	156.2	173.5	-64.3	-177.9	-178.9	180	0	110.3	D141 E142 V143	K139-D141 PolarHBondContact O-N 3.2Å; K139-D141 VanDerWaalsContact O-N 3.09Å; K139-E142 PolarHBondContact N-OE2 3.44Å; K139-E142 WeakPolarHBondContact O-CB 3.33Å; K139-E142 PolarHBondContact O-N 3.49Å; K139-V143 WeakPolarHBondContact O-CG2 3.2Å; K139-V143 PolarHBondContact O-N 2.78Å
140	A	88.5	Confident	90.3	Very high	69 Å²	69	101.3 Å²	101.3	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-53.5	-35.6	-178.8	0	0	0	0	0	113.2	V143 K144	A140-V143 PolarHBondContact O-N 2.94Å; A140-K144 WeakPolarHBondContact O-CG 3.38Å; A140-K144 PolarHBondContact O-N 3.25Å; A140-K144 VanDerWaalsContact O-N 3.15Å
141	D	90.7	Very high	90.5	Very high	105 Å²	105	105.5 Å²	105.5	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-69	-33.9	177.9	-62.2	-32.5	0	0	0	113.5	K139 K145	K139-D141 PolarHBondContact O-N 3.2Å; K139-D141 VanDerWaalsContact O-N 3.09Å; D141-K145 WeakPolarHBondContact O-CG 3.3Å; D141-K145 PolarHBondContact O-N 2.91Å
142	E	90.8	Very high	90.5	Very high	95 Å²	95	105.4 Å²	105.4	44%	0.444	53%	0.534	S	S	.	.	H	α-helix	trans	-74	-38.6	176.5	-65.6	179	158.5	0	0	110.9	I124 A138 K139 K144 K145 A146	I124-E142 HydrophobicContact CG2-CB 4.48Å; A138-E142 WeakPolarHBondContact CA-OE2 3.28Å; A138-E142 HydrophobicContact CB-CB 4.05Å; A138-E142 WeakPolarHBondContact CB-OE2 3.32Å; K139-E142 PolarHBondContact N-OE2 3.44Å; K139-E142 WeakPolarHBondContact O-CB 3.33Å; K139-E142 PolarHBondContact O-N 3.49Å; E142-K144 VanDerWaalsContact C-N 3.31Å; E142-K144 PolarHBondContact O-N 2.82Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-N 3.13Å; E142-A146 PolarHBondContact O-N 3.21Å; E142-A146 VanDerWaalsContact O-N 3.14Å
143	V	91.2	Very high	90.6	Very high	37 Å²	37	98.7 Å²	98.7	22%	0.224	51%	0.506	C	S	.	.	H	α-helix	trans	-58.6	-43.6	175.3	171	0	0	0	0	110.8	F126 A138 K139 A140 K145 A146	F126-V143 HydrophobicContact CD1-CG1 3.88Å; F126-V143 HydrophobicContact CE1-CG1 3.5Å; F126-V143 VanDerWaalsContact CE1-CG1 3.5Å; F126-V143 HydrophobicContact CE2-CG1 4.42Å; F126-V143 HydrophobicContact CZ-CG1 3.77Å; A138-V143 HydrophobicContact CB-CG2 3.96Å; K139-V143 WeakPolarHBondContact O-CG2 3.2Å; K139-V143 PolarHBondContact O-N 2.78Å; A140-V143 PolarHBondContact O-N 2.94Å; V143-K145 VanDerWaalsContact C-N 3.3Å; V143-K145 PolarHBondContact O-N 3.3Å; V143-A146 WeakPolarHBondContact O-CB 3.42Å; V143-A146 PolarHBondContact O-N 2.97Å
144	K	90.8	Very high	90.9	Very high	173 Å²	173	96.5 Å²	96.5	75%	0.752	49%	0.489	S	S	*	.	H	α-helix	trans	-64	-33.2	176.2	-71.4	174.9	-177.4	175.7	0	113	A140 E142 A146	A140-K144 WeakPolarHBondContact O-CG 3.38Å; A140-K144 PolarHBondContact O-N 3.25Å; A140-K144 VanDerWaalsContact O-N 3.15Å; E142-K144 VanDerWaalsContact C-N 3.31Å; E142-K144 PolarHBondContact O-N 2.82Å; K144-A146 VanDerWaalsContact C-N 3.27Å; K144-A146 PolarHBondContact O-N 3.38Å
145	K	91.9	Very high	91.1	Very high	161 Å²	161	94.3 Å²	94.3	70%	0.7	49%	0.487	S	S	*	.	H	α-helix	trans	-79.6	-8.4	177.8	-67.9	171.5	-173.3	176.6	0	113.1	D141 E142 V143 T147	D141-K145 WeakPolarHBondContact O-CG 3.3Å; D141-K145 PolarHBondContact O-N 2.91Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-N 3.13Å; V143-K145 VanDerWaalsContact C-N 3.3Å; V143-K145 PolarHBondContact O-N 3.3Å; K145-T147 PolarHBondContact O-N 3.29Å
146	A	91.8	Very high	91.4	Very high	23 Å²	23	90.7 Å²	90.7	19%	0.19	45%	0.451	C	S	.	.			trans	-66.3	118.8	-175.4	0	0	0	0	0	111.2	I124 F126 E142 V143 K144	I124-A146 HydrophobicContact CD1-CB 4.2Å; I124-A146 HydrophobicContact CG2-CB 4.31Å; F126-A146 HydrophobicContact CE2-CB 3.69Å; F126-A146 HydrophobicContact CZ-CB 3.66Å; E142-A146 PolarHBondContact O-N 3.21Å; E142-A146 VanDerWaalsContact O-N 3.14Å; V143-A146 WeakPolarHBondContact O-CB 3.42Å; V143-A146 PolarHBondContact O-N 2.97Å; K144-A146 VanDerWaalsContact C-N 3.27Å; K144-A146 PolarHBondContact O-N 3.38Å
147	T	93.1	Very high	91.6	Very high	125 Å²	125	91.8 Å²	91.8	77%	0.767	46%	0.463	S	S	*	.			trans	-122.2	150.6	175.4	56.5	0	0	0	0	110.7	K145 L149	K145-T147 PolarHBondContact O-N 3.29Å; T147-L149 PolarHBondContact O-N 3.36Å
148	Q	92.8	Very high	91.5	Very high	57 Å²	57	95.7 Å²	95.7	27%	0.266	48%	0.48	S	S	.	.			trans	-71.3	117.2	179.3	-174.8	175.4	54.1	0	0	110.9	A42 R48 R150	A42-Q148 PolarHBondContact O-NE2 3.14Å; R48-Q148 WeakPolarHBondContact O-CG 3.37Å; R48-Q148 PolarHBondContact O-NE2 2.91Å; Q148-R150 PolarHBondContact O-N 3.18Å
149	L	92.8	Very high	91.2	Very high	79 Å²	79	106.5 Å²	106.5	41%	0.414	52%	0.519	S	S	.	.			trans	-66.9	118.8	172.6	-174.5	67	0	0	0	110.6	P49 T147 R151 V153	P49-L149 HydrophobicContact CB-CB 4.23Å; P49-L149 HydrophobicContact CG-CB 4.13Å; T147-L149 PolarHBondContact O-N 3.36Å; L149-R151 HydrophobicContact CD1-CB 4.47Å; L149-R151 WeakPolarHBondContact CG-O 3.45Å; L149-V153 HydrophobicContact CD2-CG2 4.28Å
150	R	89.4	Confident	91	Very high	239 Å²	239	103.3 Å²	103.3	90%	0.902	52%	0.521	S	S	*	.			trans	-81.2	-24.6	177.9	-63.7	-177.3	179.8	-179	1.1	113.6	Q148	Q148-R150 PolarHBondContact O-N 3.18Å
151	R	91	Very high	90.9	Very high	199 Å²	199	108.9 Å²	108.9	75%	0.751	53%	0.533	S	S	*	.	S	Bend	trans	-89.1	164.2	-179.3	-66.4	-177.7	180	172.6	0.1	111.3	L149 V153	L149-R151 HydrophobicContact CD1-CB 4.47Å; L149-R151 WeakPolarHBondContact CG-O 3.45Å; R151-V153 PolarHBondContact O-N 3.38Å
152	P	90.6	Very high	90.8	Very high	81 Å²	81	115.4 Å²	115.4	53%	0.526	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-56.5	138.1	172.9	-24.1	34.4	0	0	0	112	L154	P152-L154 PolarHBondContact O-N 3.32Å
153	V	92.5	Very high	90.8	Very high	22 Å²	22	117.4 Å²	117.4	13%	0.133	56%	0.563	C	S	.	*	S	Bend	trans	-65.9	118.8	175.9	-176.8	0	0	0	0	109.9	P49 L54 Y119 L149 R151	P49-V153 HydrophobicContact CB-CG2 3.66Å; P49-V153 HydrophobicContact CG-CG2 3.82Å; L54-V153 HydrophobicContact CD1-CG1 3.97Å; Y119-V153 HydrophobicContact CD2-CG1 3.82Å; Y119-V153 HydrophobicContact CE2-CG1 3.64Å; L149-V153 HydrophobicContact CD2-CG2 4.28Å; R151-V153 PolarHBondContact O-N 3.38Å
154	L	93.5	Very high	90.9	Very high	38 Å²	38	124.6 Å²	124.6	20%	0.199	59%	0.591	C	S	.	*	S	Bend	trans	46.3	69.1	179.4	-65.1	176.4	0	0	0	112.4	L54 R115 Y119 K122 P152 I156	L54-L154 HydrophobicContact CD1-CB 4.01Å; L54-L154 HydrophobicContact CD1-CD1 3.98Å; L54-L154 HydrophobicContact CD1-CG 4.4Å; R115-L154 VanDerWaalsContact CZ-O 3.23Å; R115-L154 PolarHBondContact NH1-O 3.21Å; R115-L154 PolarHBondContact NH2-O 3.3Å; Y119-L154 HydrophobicContact CD2-CD1 4.35Å; K122-L154 HydrophobicContact CD-CD2 4.13Å; P152-L154 PolarHBondContact O-N 3.32Å; L154-I156 PolarHBondContact O-N 3.49Å
155	P	93.9	Very high	91	Very high	89 Å²	89	121.5 Å²	121.5	58%	0.578	60%	0.598	S	S	*	*			trans	-56.9	141.9	-174.8	26	-34.3	0	0	0	111.4
156	I	93.8	Very high	91.1	Very high	39 Å²	39	119.9 Å²	119.9	20%	0.2	59%	0.592	C	S	.	*			trans	-83.4	125.1	179.1	-60	178.1	0	0	0	108.1	I57 V69 S71 L154	I57-I156 HydrophobicContact CB-CD1 4.5Å; I57-I156 HydrophobicContact CG1-CD1 3.89Å; I57-I156 HydrophobicContact CG1-CG1 3.98Å; I57-I156 HydrophobicContact CG1-CG2 4.35Å; V69-I156 HydrophobicContact CG1-CG2 3.8Å; S71-I156 WeakPolarHBondContact OG-CD1 3.43Å; L154-I156 PolarHBondContact O-N 3.49Å
157	T	91.9	Very high	91.3	Very high	100 Å²	100	127.9 Å²	127.9	61%	0.613	62%	0.623	S	S	*	*			trans	-108.9	146.6	175	55.7	0	0	0	0	110.2	R159	T157-R159 PolarHBondContact O-N 3.02Å
158	Q	90.4	Very high	91.4	Very high	109 Å²	109	125.3 Å²	125.3	51%	0.509	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-76	118.3	168.3	-56.4	-59.7	-24.3	0	0	107.4	V69	V69-Q158 PolarHBondContact O-NE2 3.4Å
159	R	84.2	Confident	91.5	Very high	238 Å²	238	125.8 Å²	125.8	90%	0.898	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-86.3	124	172.2	-75.3	-174.7	166.4	-156.8	-4.6	108.7	T157	T157-R159 PolarHBondContact O-N 3.02Å
160	A	85.5	Confident	91.7	Very high	91 Å²	91	126 Å²	126	75%	0.752	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-100.6	128.4	166.3	0	0	0	0	0	108.8	R162	A160-R162 PolarHBondContact O-N 2.9Å
161	K	85.6	Confident	92	Very high	187 Å²	187	118.3 Å²	118.3	81%	0.813	61%	0.606	S	S	*	*			trans	-79.1	114.4	170.9	-171.3	179	-178.8	-175.2	0	107.4	L163	K161-L163 HydrophobicContact CD-CD2 3.95Å; K161-L163 HydrophobicContact CG-CD2 4.14Å
162	R	89.6	Confident	92.2	Very high	241 Å²	241	113.4 Å²	113.4	91%	0.909	59%	0.592	S	S	*	*			trans	-83.7	113.8	169.7	-67.6	-173.2	177.6	-168.3	-1.9	107.8	A160	A160-R162 PolarHBondContact O-N 2.9Å
163	L	89.9	Confident	92.3	Very high	138 Å²	138	115.8 Å²	115.8	72%	0.723	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-81	140.9	175.7	-62.1	174.2	0	0	0	108.9	K161	K161-L163 HydrophobicContact CD-CD2 3.95Å; K161-L163 HydrophobicContact CG-CD2 4.14Å
164	K	93.9	Very high	92.5	Very high	188 Å²	188	125 Å²	125	82%	0.817	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-76.7	144.1	170	-67.2	-174.4	179.2	-176.5	0	108.6	H166	K164-H166 PolarHBondContact O-N 3.47Å
165	A	93.6	Very high	92.5	Very high	108 Å²	108	130.5 Å²	130.5	89%	0.893	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-59.6	136.7	168.4	0	0	0	0	0	109
166	H	94	Very high	92.5	Very high	127 Å²	127	129 Å²	129	59%	0.588	64%	0.643	S	S	*	*			trans	-138	155.1	174.4	63.9	-76.7	0	0	0	108.7	K164 P168 E172	K164-H166 PolarHBondContact O-N 3.47Å; H166-P168 WeakPolarHBondContact O-CD 3.47Å; H166-E172 IonicContact NE2-OE1 3.8Å; H166-E172 IonicContact NE2-OE2 3.92Å
167	K	95.4	Very high	92.5	Very high	191 Å²	191	129.5 Å²	129.5	83%	0.83	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-69.1	125.4	173.7	-175.2	175.6	179	178.9	0	108.2	T169	K167-T169 PolarHBondContact O-N 2.81Å
168	P	94.5	Very high	92.6	Very high	70 Å²	70	131.2 Å²	131.2	46%	0.455	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-56.5	137.6	175.6	-25.4	34.7	0	0	0	111.3	H166 E172 L173	H166-P168 WeakPolarHBondContact O-CD 3.47Å; P168-E172 WeakPolarHBondContact CA-OE2 3.5Å; P168-L173 HydrophobicContact CB-CD1 4.47Å; P168-L173 HydrophobicContact CB-CD2 3.9Å; P168-L173 HydrophobicContact CB-CG 3.98Å
169	T	96.4	Very high	92.7	Very high	67 Å²	67	131.6 Å²	131.6	41%	0.411	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-76.4	158.1	174.4	53.9	0	0	0	0	110.7	K167 S171 E172 L173	K167-T169 PolarHBondContact O-N 2.81Å; T169-S171 PolarHBondContact O-N 3.48Å; T169-S171 PolarHBondContact OG1-OG 2.84Å; T169-E172 PolarHBondContact N-OE2 3.15Å; T169-E172 PolarHBondContact O-N 3.35Å; T169-E172 WeakPolarHBondContact OG1-CG 3.46Å; T169-E172 PolarHBondContact OG1-OE2 3.29Å; T169-L173 WeakPolarHBondContact O-CG 3.29Å; T169-L173 PolarHBondContact O-N 3.46Å; T169-L173 VanDerWaalsContact O-N 3.09Å
170	S	96.3	Very high	93.2	Very high	83 Å²	83	121.9 Å²	121.9	58%	0.58	62%	0.624	S	S	*	*	H	α-helix	trans	-61.1	-29.6	178.5	53.4	0	0	0	0	113	R174	S170-R174 VanDerWaalsContact O-CG 3.28Å; S170-R174 WeakPolarHBondContact O-CG 3.28Å; S170-R174 PolarHBondContact O-N 3.48Å
171	S	95.2	Very high	93.6	Very high	78 Å²	78	123.5 Å²	123.5	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-69.8	-43.4	174.5	51.8	0	0	0	0	112.6	T169 L173 R174 Y175	T169-S171 PolarHBondContact O-N 3.48Å; T169-S171 PolarHBondContact OG1-OG 2.84Å; S171-L173 VanDerWaalsContact C-N 3.32Å; S171-L173 PolarHBondContact O-N 3.41Å; S171-R174 PolarHBondContact O-N 3.09Å; S171-Y175 PolarHBondContact O-N 3.32Å; S171-Y175 VanDerWaalsContact O-N 3.14Å
172	E	94.6	Very high	93.9	Very high	97 Å²	97	123.5 Å²	123.5	45%	0.453	61%	0.613	S	S	.	*	H	α-helix	trans	-63.7	-38.4	176.1	-72.5	165.7	152.4	0	0	111.9	H166 P168 T169 R174 Y175	H166-E172 IonicContact NE2-OE1 3.8Å; H166-E172 IonicContact NE2-OE2 3.92Å; P168-E172 WeakPolarHBondContact CA-OE2 3.5Å; T169-E172 PolarHBondContact N-OE2 3.15Å; T169-E172 PolarHBondContact O-N 3.35Å; T169-E172 WeakPolarHBondContact OG1-CG 3.46Å; T169-E172 PolarHBondContact OG1-OE2 3.29Å; E172-R174 VanDerWaalsContact C-N 3.34Å; E172-Y175 PolarHBondContact O-N 3.47Å
173	L	94.6	Very high	93.9	Very high	131 Å²	131	120.4 Å²	120.4	69%	0.686	61%	0.609	S	S	*	*	H	α-helix	trans	-67.6	-32.6	177	-68.9	173.2	0	0	0	112.9	P168 T169 S171	P168-L173 HydrophobicContact CB-CD1 4.47Å; P168-L173 HydrophobicContact CB-CD2 3.9Å; P168-L173 HydrophobicContact CB-CG 3.98Å; T169-L173 WeakPolarHBondContact O-CG 3.29Å; T169-L173 PolarHBondContact O-N 3.46Å; T169-L173 VanDerWaalsContact O-N 3.09Å; S171-L173 VanDerWaalsContact C-N 3.32Å; S171-L173 PolarHBondContact O-N 3.41Å
174	R	94.7	Very high	92.7	Very high	214 Å²	214	124.8 Å²	124.8	81%	0.808	63%	0.626	S	S	*	*	H	α-helix	trans	-81	-14.8	176.7	-70.8	174.1	-175.9	-177.6	1.2	113.1	S170 S171 E172 S176	S170-R174 VanDerWaalsContact O-CG 3.28Å; S170-R174 WeakPolarHBondContact O-CG 3.28Å; S170-R174 PolarHBondContact O-N 3.48Å; S171-R174 PolarHBondContact O-N 3.09Å; E172-R174 VanDerWaalsContact C-N 3.34Å; R174-S176 PolarHBondContact O-N 3.21Å
175	Y	94.8	Very high	92.7	Very high	154 Å²	154	121.7 Å²	121.7	60%	0.604	62%	0.617	S	S	*	*			trans	-73.5	118.8	-175.2	178	-104.1	0	0	0	112	S171 E172 A177 A180	S171-Y175 PolarHBondContact O-N 3.32Å; S171-Y175 VanDerWaalsContact O-N 3.14Å; E172-Y175 PolarHBondContact O-N 3.47Å; Y175-A177 HydrophobicContact CD1-CB 4.23Å; Y175-A177 HydrophobicContact CE1-CB 3.76Å; Y175-A177 PolarHBondContact O-N 3.17Å; Y175-A180 HydrophobicContact CE2-CB 4.12Å; Y175-A180 VanDerWaalsContact OH-CB 3.28Å; Y175-A180 WeakPolarHBondContact OH-CB 3.21Å
176	S	93.5	Very high	92.6	Very high	58 Å²	58	122.4 Å²	122.4	41%	0.406	60%	0.602	S	S	.	*			trans	-92.7	93.3	175	-165.3	0	0	0	0	111.6	R174 F178 H179 A180	R174-S176 PolarHBondContact O-N 3.21Å; S176-F178 VanDerWaalsContact C-N 3.26Å; S176-F178 PolarHBondContact O-N 3.13Å; S176-H179 PolarHBondContact O-N 3.44Å; S176-H179 PolarHBondContact OG-ND1 3.13Å; S176-A180 PolarHBondContact O-N 3.35Å; S176-A180 VanDerWaalsContact O-N 3.13Å
177	A	94	Very high	92.5	Very high	49 Å²	49	122.1 Å²	122.1	41%	0.405	60%	0.603	S	S	.	*	H	α-helix	trans	-58.3	-36.4	179.3	0	0	0	0	0	113.1	Y175 A180 I181	Y175-A177 HydrophobicContact CD1-CB 4.23Å; Y175-A177 HydrophobicContact CE1-CB 3.76Å; Y175-A177 PolarHBondContact O-N 3.17Å; A177-A180 PolarHBondContact O-N 3.26Å; A177-I181 WeakPolarHBondContact O-CD1 3.28Å; A177-I181 VanDerWaalsContact O-CG1 3.29Å; A177-I181 WeakPolarHBondContact O-CG1 3.45Å; A177-I181 PolarHBondContact O-N 2.84Å; A177-I181 VanDerWaalsContact O-N 3.15Å
178	F	93.2	Very high	92.4	Very high	137 Å²	137	118.1 Å²	118.1	60%	0.601	59%	0.589	S	S	*	*	H	α-helix	trans	-63.6	-47.9	179.7	178	-96.2	0	0	0	112.4	S176 I181 R182	S176-F178 VanDerWaalsContact C-N 3.26Å; S176-F178 PolarHBondContact O-N 3.13Å; F178-I181 PolarHBondContact O-N 3.38Å; F178-R182 HydrophobicContact CZ-CG 4.46Å; F178-R182 PolarHBondContact O-N 3.23Å
179	H	93.6	Very high	92.2	Very high	116 Å²	116	121.1 Å²	121.1	54%	0.537	60%	0.598	S	S	.	*	H	α-helix	trans	-65.4	-41.5	178.2	-69.4	86.6	0	0	0	111	S176 I181 R182 Q183	S176-H179 PolarHBondContact O-N 3.44Å; S176-H179 PolarHBondContact OG-ND1 3.13Å; H179-I181 VanDerWaalsContact C-N 3.32Å; H179-I181 PolarHBondContact O-N 3.14Å; H179-R182 PolarHBondContact O-N 3.29Å; H179-R182 VanDerWaalsContact O-N 3.13Å; H179-Q183 PolarHBondContact O-N 3.25Å
180	A	94.5	Very high	92	Very high	34 Å²	34	124.7 Å²	124.7	28%	0.281	61%	0.61	S	S	.	*	H	α-helix	trans	-60.7	-37.6	179.8	0	0	0	0	0	113.4	Y175 S176 A177 R182	Y175-A180 HydrophobicContact CE2-CB 4.12Å; Y175-A180 VanDerWaalsContact OH-CB 3.28Å; Y175-A180 WeakPolarHBondContact OH-CB 3.21Å; S176-A180 PolarHBondContact O-N 3.35Å; S176-A180 VanDerWaalsContact O-N 3.13Å; A177-A180 PolarHBondContact O-N 3.26Å; A180-R182 VanDerWaalsContact C-N 3.32Å
181	I	93.6	Very high	91.6	Very high	125 Å²	125	127.6 Å²	127.6	64%	0.641	61%	0.612	S	S	*	*	H	α-helix	trans	-70.8	-28.6	178.4	-66.9	164.9	0	0	0	111.8	A177 F178 H179	A177-I181 WeakPolarHBondContact O-CD1 3.28Å; A177-I181 VanDerWaalsContact O-CG1 3.29Å; A177-I181 WeakPolarHBondContact O-CG1 3.45Å; A177-I181 PolarHBondContact O-N 2.84Å; A177-I181 VanDerWaalsContact O-N 3.15Å; F178-I181 PolarHBondContact O-N 3.38Å; H179-I181 VanDerWaalsContact C-N 3.32Å; H179-I181 PolarHBondContact O-N 3.14Å
182	R	92.7	Very high	91.4	Very high	187 Å²	187	131.5 Å²	131.5	71%	0.706	62%	0.618	S	S	*	*	H	α-helix	trans	-87.7	-14.3	-176	-71.2	-70.8	-168.7	168.7	2.4	114.6	F178 H179 A180	F178-R182 HydrophobicContact CZ-CG 4.46Å; F178-R182 PolarHBondContact O-N 3.23Å; H179-R182 PolarHBondContact O-N 3.29Å; H179-R182 VanDerWaalsContact O-N 3.13Å; A180-R182 VanDerWaalsContact C-N 3.32Å
183	Q	89.6	Confident	91.1	Very high	176 Å²	176	134.3 Å²	134.3	82%	0.822	63%	0.631	S	S	*	*			trans	-90.4	-2.6	178.9	-71.2	-157.6	-3.1	0	0	114.4	H179	H179-Q183 PolarHBondContact O-N 3.25Å
184	Q	64.5	Low	90.8	Very high	231 Å²	231	134.6 Å²	134.6	100%	1.079	63%	0.626	S	S	*	*			trans	-84.6	0	170.7	-67.2	-175.6	0.5	0	0	110.7

Retrieved 184 of 184 residues in 74.4 ms (Link to these results)

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