A0A087X7T1_POEFO Loading...

Kv channel-interacting protein 4

AlphaFold DB , UniProt , Accession A0A087X7T1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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	31.9	Very low	32.6	Very low	244 Å²	244	128.6 Å²	128.6	100%	1.202	71%	0.71	S	S	*	*				0	95.9	0	-74.7	169.4	165.2	0	0	106.6
2	C	29	Very low	32.5	Very low	136 Å²	136	127.3 Å²	127.3	92%	0.919	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-85.1	127.3	-178.3	-81	0	0	0	0	109.7
3	S	30.8	Very low	32.6	Very low	106 Å²	106	123.8 Å²	123.8	74%	0.741	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-66.7	146	174.2	-46.7	0	0	0	0	111.2
4	P	31.8	Very low	32.5	Very low	112 Å²	112	121.9 Å²	121.9	73%	0.727	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-67.9	137.1	174.3	-10.5	26.1	0	0	0	110.6
5	T	35.3	Very low	32.3	Very low	119 Å²	119	121.9 Å²	121.9	73%	0.73	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-67.2	137.3	176.8	20.5	0	0	0	0	111.2	G7 T8	T5-G7 PolarHBondContact O-N 3.11Å; T5-T8 PolarHBondContact O-N 3.21Å; T5-T8 PolarHBondContact O-OG1 2.79Å
6	K	36.7	Very low	32	Very low	202 Å²	202	122.4 Å²	122.4	88%	0.878	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	1.2	-174.4	-66.7	-179.9	175.8	-179.4	0	116.8
7	G	34.9	Very low	31.9	Very low	56 Å²	56	122.8 Å²	122.8	58%	0.577	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-27.4	178.6	0	0	0	0	0	114.4	T5	T5-G7 PolarHBondContact O-N 3.11Å
8	T	31.7	Very low	31.8	Very low	77 Å²	77	122.6 Å²	122.6	47%	0.472	65%	0.65	S	S	.	*	H	α-helix	trans	-87.3	-26.1	-177.5	50	0	0	0	0	113.2	T5 W10 M11 E12	T5-T8 PolarHBondContact O-N 3.21Å; T5-T8 PolarHBondContact O-OG1 2.79Å; T8-W10 VanDerWaalsContact C-N 3.25Å; T8-W10 PolarHBondContact O-N 3.32Å; T8-M11 PolarHBondContact O-N 3.34Å; T8-E12 PolarHBondContact O-N 3.39Å; T8-E12 VanDerWaalsContact O-N 3.11Å
9	Q	31.8	Very low	31.7	Very low	99 Å²	99	124.6 Å²	124.6	46%	0.463	65%	0.652	S	S	.	*	H	α-helix	trans	-62.5	-32.9	176.7	-160.9	69.9	56.3	0	0	112	E12 D13	Q9-E12 PolarHBondContact O-N 2.77Å; Q9-D13 PolarHBondContact NE2-OD1 3.46Å; Q9-D13 VanDerWaalsContact O-CB 3.3Å; Q9-D13 WeakPolarHBondContact O-CB 3.3Å; Q9-D13 PolarHBondContact O-N 3.49Å
10	W	33.8	Very low	31.6	Very low	177 Å²	177	125.7 Å²	125.7	67%	0.67	66%	0.659	S	S	*	*	H	α-helix	trans	-67.5	-36.4	177.7	-156.3	86.8	0	0	0	112.3	T8 Q14	T8-W10 VanDerWaalsContact C-N 3.25Å; T8-W10 PolarHBondContact O-N 3.32Å; W10-Q14 HydrophobicContact CD2-CG 4.42Å; W10-Q14 HydrophobicContact CE3-CG 4.03Å; W10-Q14 HydrophobicContact CZ3-CG 4.08Å; W10-Q14 WeakPolarHBondContact O-CB 3.31Å; W10-Q14 WeakPolarHBondContact O-CG 3.46Å; W10-Q14 PolarHBondContact O-N 2.93Å; W10-Q14 VanDerWaalsContact O-N 3.14Å
11	M	30.7	Very low	31.6	Very low	87 Å²	87	126.6 Å²	126.6	43%	0.429	66%	0.659	S	S	.	*	H	α-helix	trans	-74.4	-37.1	175	-77.3	-174.9	169.2	0	0	112.3	T8 Q14 L15 N230	T8-M11 PolarHBondContact O-N 3.34Å; M11-Q14 PolarHBondContact O-N 3.3Å; M11-L15 VanDerWaalsContact O-CD1 3.3Å; M11-L15 WeakPolarHBondContact O-CD1 3.38Å; M11-L15 PolarHBondContact O-N 3.42Å; M11-N230 VanDerWaalsContact CE-OD1 3.31Å; M11-N230 WeakPolarHBondContact CE-OD1 3.43Å
12	E	31	Very low	31.5	Very low	112 Å²	112	117.3 Å²	117.3	52%	0.523	63%	0.626	S	S	.	*	H	α-helix	trans	-70.8	-36.1	176.6	-76.5	-178.3	147.4	0	0	112.6	T8 Q9 L15 H16	T8-E12 PolarHBondContact O-N 3.39Å; T8-E12 VanDerWaalsContact O-N 3.11Å; Q9-E12 PolarHBondContact O-N 2.77Å; E12-L15 PolarHBondContact O-N 2.92Å; E12-H16 PolarHBondContact O-N 2.9Å
13	D	34.5	Very low	31.6	Very low	82 Å²	82	117.8 Å²	117.8	44%	0.439	61%	0.613	S	S	.	*	H	α-helix	trans	-70.5	-33.3	174.5	-69.7	-12.5	0	0	0	111.4	Q9 H16 L17	Q9-D13 PolarHBondContact NE2-OD1 3.46Å; Q9-D13 VanDerWaalsContact O-CB 3.3Å; Q9-D13 WeakPolarHBondContact O-CB 3.3Å; Q9-D13 PolarHBondContact O-N 3.49Å; D13-H16 PolarHBondContact O-N 3.11Å; D13-L17 WeakPolarHBondContact O-CD1 3.3Å; D13-L17 PolarHBondContact O-N 2.52Å
14	Q	31.6	Very low	31.9	Very low	98 Å²	98	115.1 Å²	115.1	46%	0.458	59%	0.594	S	S	.	*	H	α-helix	trans	-67.8	-38.8	169.8	-72.5	-72.6	-30.4	0	0	112	W10 M11 H16 H18	W10-Q14 HydrophobicContact CD2-CG 4.42Å; W10-Q14 HydrophobicContact CE3-CG 4.03Å; W10-Q14 HydrophobicContact CZ3-CG 4.08Å; W10-Q14 WeakPolarHBondContact O-CB 3.31Å; W10-Q14 WeakPolarHBondContact O-CG 3.46Å; W10-Q14 PolarHBondContact O-N 2.93Å; W10-Q14 VanDerWaalsContact O-N 3.14Å; M11-Q14 PolarHBondContact O-N 3.3Å; Q14-H16 VanDerWaalsContact C-N 3.34Å; Q14-H16 PolarHBondContact O-N 3.45Å; Q14-H18 WeakPolarHBondContact O-CB 3.28Å; Q14-H18 PolarHBondContact O-N 3.14Å; Q14-H18 VanDerWaalsContact O-N 3.1Å
15	L	29	Very low	31.8	Very low	122 Å²	122	118.2 Å²	118.2	64%	0.639	60%	0.596	S	S	*	*	H	α-helix	trans	-67.4	-31.3	173.3	-102.6	105.4	0	0	0	113	M11 E12 H18	M11-L15 VanDerWaalsContact O-CD1 3.3Å; M11-L15 WeakPolarHBondContact O-CD1 3.38Å; M11-L15 PolarHBondContact O-N 3.42Å; E12-L15 PolarHBondContact O-N 2.92Å; L15-H18 WeakPolarHBondContact O-CB 3.07Å; L15-H18 PolarHBondContact O-N 3.41Å
16	H	26.8	Very low	31.5	Very low	129 Å²	129	118.4 Å²	118.4	60%	0.597	59%	0.587	S	S	*	*	H	α-helix	trans	-77.9	-33.8	177.1	-100.2	-73.3	0	0	0	113.2	E12 D13 Q14 H18 K19	E12-H16 PolarHBondContact O-N 2.9Å; D13-H16 PolarHBondContact O-N 3.11Å; Q14-H16 VanDerWaalsContact C-N 3.34Å; Q14-H16 PolarHBondContact O-N 3.45Å; H16-H18 VanDerWaalsContact C-N 3.29Å; H16-K19 PolarHBondContact O-N 2.85Å
17	L	30.2	Very low	31.3	Very low	130 Å²	130	111 Å²	111	68%	0.681	56%	0.558	S	S	*	*	H	α-helix	trans	-66.6	-32	167.6	-100.8	99.1	0	0	0	112.3	D13 K19 N20	D13-L17 WeakPolarHBondContact O-CD1 3.3Å; D13-L17 PolarHBondContact O-N 2.52Å; L17-K19 PolarHBondContact O-N 3.34Å; L17-N20 PolarHBondContact O-N 3.04Å
18	H	31.3	Very low	31.3	Very low	119 Å²	119	111.9 Å²	111.9	55%	0.551	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.4	177.2	-141.4	-87.8	0	0	0	113.8	Q14 L15 H16	Q14-H18 WeakPolarHBondContact O-CB 3.28Å; Q14-H18 PolarHBondContact O-N 3.14Å; Q14-H18 VanDerWaalsContact O-N 3.1Å; L15-H18 WeakPolarHBondContact O-CB 3.07Å; L15-H18 PolarHBondContact O-N 3.41Å; H16-H18 VanDerWaalsContact C-N 3.29Å
19	K	29.9	Very low	31.4	Very low	160 Å²	160	112.6 Å²	112.6	70%	0.696	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-20	-178.5	-88.7	-179.5	176.8	172.6	0	115.1	H16 L17	H16-K19 PolarHBondContact O-N 2.85Å; L17-K19 PolarHBondContact O-N 3.34Å
20	N	28.6	Very low	31.7	Very low	146 Å²	146	111.5 Å²	111.5	78%	0.781	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-10.3	-174	-96.1	-8.1	0	0	0	116.4	L17	L17-N20 PolarHBondContact O-N 3.04Å
21	H	32.3	Very low	32	Very low	146 Å²	146	104.7 Å²	104.7	68%	0.676	53%	0.526	S	S	*	.			trans	-135.9	100.3	164.6	-82.6	-85.7	0	0	0	108.5	F23	H21-F23 PolarHBondContact O-N 2.93Å
22	G	29.5	Very low	32.5	Very low	48 Å²	48	108.3 Å²	108.3	50%	0.495	54%	0.535	S	S	.	.			trans	-63.1	74.7	172.5	0	0	0	0	0	111.3	K26	G22-K26 WeakPolarHBondContact O-CD 3.46Å; G22-K26 WeakPolarHBondContact O-CG 3.31Å
23	F	31.6	Very low	32.9	Very low	147 Å²	147	105.2 Å²	105.2	65%	0.645	52%	0.522	S	S	*	.			trans	-90.1	-32.6	-175	-139.1	-99.6	0	0	0	110.8	H21 K25 K26 V27	H21-F23 PolarHBondContact O-N 2.93Å; F23-K25 PolarHBondContact O-N 3.38Å; F23-K26 PolarHBondContact O-N 3.42Å; F23-K26 VanDerWaalsContact O-N 3.13Å; F23-V27 HydrophobicContact CD1-CG2 4.05Å; F23-V27 HydrophobicContact CE1-CG2 4.14Å; F23-V27 PolarHBondContact O-N 2.82Å
24	S	37.2	Very low	33.2	Very low	50 Å²	50	102.7 Å²	102.7	35%	0.35	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.4	-176.7	172	0	0	0	0	114.9
25	K	29	Very low	33.4	Very low	177 Å²	177	103.3 Å²	103.3	77%	0.77	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-6	170.8	-71.6	-173.5	179.3	-177.2	0	113.7	F23 L29	F23-K25 PolarHBondContact O-N 3.38Å; K25-L29 WeakPolarHBondContact O-CB 3.47Å
26	K	28.9	Very low	34	Very low	122 Å²	122	102.6 Å²	102.6	53%	0.53	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-24.5	-175.3	-84.6	-176.5	-180	178.5	0	113	G22 F23 L29 N30	G22-K26 WeakPolarHBondContact O-CD 3.46Å; G22-K26 WeakPolarHBondContact O-CG 3.31Å; F23-K26 PolarHBondContact O-N 3.42Å; F23-K26 VanDerWaalsContact O-N 3.13Å; K26-L29 CarbonylContact O-C 3.38Å; K26-L29 PolarHBondContact O-N 2.92Å; K26-N30 WeakPolarHBondContact O-CB 3.38Å; K26-N30 PolarHBondContact O-N 2.8Å; K26-N30 PolarHBondContact O-ND2 3.43Å
27	V	33	Very low	34.6	Very low	47 Å²	47	97.7 Å²	97.7	29%	0.285	47%	0.474	S	S	.	.	S	Bend	trans	-77.2	-51.2	-178.3	-179.3	0	0	0	0	110.8	F23 L29 N30 C31 N240	F23-V27 HydrophobicContact CD1-CG2 4.05Å; F23-V27 HydrophobicContact CE1-CG2 4.14Å; F23-V27 PolarHBondContact O-N 2.82Å; V27-L29 PolarHBondContact O-N 3.17Å; V27-L29 VanDerWaalsContact O-N 3.16Å; V27-N30 CarbonylContact O-C 3.57Å; V27-N30 PolarHBondContact O-N 3.3Å; V27-C31 PolarHBondContact O-N 2.89Å; V27-N240 VanDerWaalsContact CG1-O 3.3Å; V27-N240 WeakPolarHBondContact CG1-O 3.46Å
28	L	35	Very low	34.9	Very low	74 Å²	74	95.6 Å²	95.6	39%	0.387	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.9	166.4	-78.7	174	0	0	0	113.6	N30 N240 L242	L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N240 WeakPolarHBondContact CD1-OD1 3.38Å; L28-N240 HydrophobicContact CG-CB 4.42Å; L28-L242 VanDerWaalsContact CD2-OXT 3.27Å; L28-L242 WeakPolarHBondContact CD2-OXT 3.3Å
29	L	34.7	Very low	35.2	Very low	93 Å²	93	94.4 Å²	94.4	49%	0.487	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	2.3	179	-151.5	89.3	0	0	0	113	K25 K26 V27 R35	K25-L29 WeakPolarHBondContact O-CB 3.47Å; K26-L29 CarbonylContact O-C 3.38Å; K26-L29 PolarHBondContact O-N 2.92Å; V27-L29 PolarHBondContact O-N 3.17Å; V27-L29 VanDerWaalsContact O-N 3.16Å; L29-R35 WeakPolarHBondContact O-CB 3.37Å; L29-R35 WeakPolarHBondContact O-CD 3.37Å; L29-R35 VanDerWaalsContact O-CG 3.3Å; L29-R35 WeakPolarHBondContact O-CG 3.48Å; L29-R35 PolarHBondContact O-NH1 3.14Å
30	N	37	Very low	35.4	Very low	76 Å²	76	92.8 Å²	92.8	41%	0.406	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	4	176.1	-80.7	-13.6	0	0	0	113.2	K26 V27 L28 W32 R35	K26-N30 WeakPolarHBondContact O-CB 3.38Å; K26-N30 PolarHBondContact O-N 2.8Å; K26-N30 PolarHBondContact O-ND2 3.43Å; V27-N30 CarbonylContact O-C 3.57Å; V27-N30 PolarHBondContact O-N 3.3Å; L28-N30 VanDerWaalsContact C-N 3.33Å; N30-W32 VanDerWaalsContact C-N 3.29Å; N30-W32 PolarHBondContact O-N 2.97Å; N30-R35 PolarHBondContact OD1-NH1 3.23Å
31	C	41	Very low	35.6	Very low	33 Å²	33	88.1 Å²	88.1	22%	0.223	44%	0.439	C	S	.	.			trans	-58.5	99.2	153.9	-161.6	0	0	0	0	106.5	V27 L33 V34 R35	V27-C31 PolarHBondContact O-N 2.89Å; C31-L33 PolarHBondContact O-N 3.36Å; C31-V34 HydrophobicContact CB-CB 4.36Å; C31-V34 HydrophobicContact CB-CG2 4.24Å; C31-V34 PolarHBondContact O-N 3.35Å; C31-R35 PolarHBondContact O-N 2.94Å
32	W	39.7	Very low	35.4	Very low	164 Å²	164	85.1 Å²	85.1	62%	0.621	43%	0.434	S	S	*	.	H	α-helix	trans	-58.4	-26.1	-169.7	-102.1	41.7	0	0	0	111.8	N30 R36 F107	N30-W32 VanDerWaalsContact C-N 3.29Å; N30-W32 PolarHBondContact O-N 2.97Å; W32-R36 VanDerWaalsContact O-CB 3.22Å; W32-R36 WeakPolarHBondContact O-CB 3.31Å; W32-R36 PolarHBondContact O-N 3.5Å; W32-F107 HydrophobicContact CB-CE1 3.37Å; W32-F107 HydrophobicContact CB-CZ 3.57Å; W32-F107 AromaticContact CD1-CE1 3.98Å; W32-F107 AromaticContact CG-CE1 3.81Å; W32-F107 HydrophobicContact CG-CE1 3.81Å; W32-F107 HydrophobicContact CG-CZ 4.38Å
33	L	40.2	Very low	35.6	Very low	46 Å²	46	88.4 Å²	88.4	24%	0.241	45%	0.447	C	S	.	.	H	α-helix	trans	-62.8	-56.4	173	-95.9	115.7	0	0	0	110.3	C31 R35 R36 I37 I103 F137	C31-L33 PolarHBondContact O-N 3.36Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.4Å; L33-R36 PolarHBondContact O-N 2.95Å; L33-I37 HydrophobicContact CB-CD1 4.46Å; L33-I37 VanDerWaalsContact O-CB 3.32Å; L33-I37 WeakPolarHBondContact O-CB 3.22Å; L33-I37 WeakPolarHBondContact O-CD1 3.47Å; L33-I37 WeakPolarHBondContact O-CG1 3.37Å; L33-I37 PolarHBondContact O-N 3.47Å; L33-I103 HydrophobicContact CD1-CG2 4.35Å; L33-F137 HydrophobicContact CD2-CE1 3.92Å; L33-F137 HydrophobicContact CD2-CE2 4.48Å; L33-F137 HydrophobicContact CD2-CZ 3.52Å
34	V	40.3	Very low	35.8	Very low	29 Å²	29	88.2 Å²	88.2	18%	0.176	45%	0.448	C	S	.	.	H	α-helix	trans	-63.4	-38.7	179.5	-175.9	0	0	0	0	111.3	C31 I37 V38 L145	C31-V34 HydrophobicContact CB-CB 4.36Å; C31-V34 HydrophobicContact CB-CG2 4.24Å; C31-V34 PolarHBondContact O-N 3.35Å; V34-I37 PolarHBondContact O-N 3.19Å; V34-V38 HydrophobicContact CG1-CG2 4.14Å; V34-V38 VanDerWaalsContact O-CB 3.26Å; V34-V38 WeakPolarHBondContact O-CB 3.44Å; V34-V38 WeakPolarHBondContact O-CG2 3.48Å; V34-V38 PolarHBondContact O-N 3.03Å; V34-L145 HydrophobicContact CG1-CD1 4.48Å; V34-L145 HydrophobicContact CG1-CD2 4.31Å; V34-L145 HydrophobicContact CG2-CD1 4.41Å; V34-L145 HydrophobicContact CG2-CD2 4.38Å
35	R	36.8	Very low	35.9	Very low	112 Å²	112	91.8 Å²	91.8	42%	0.423	47%	0.47	S	S	.	.	H	α-helix	trans	-70.1	-42	175.9	-152.4	-166.8	177.5	126.4	-7.9	112.4	L29 N30 C31 L33 I37 T39	L29-R35 WeakPolarHBondContact O-CB 3.37Å; L29-R35 WeakPolarHBondContact O-CD 3.37Å; L29-R35 VanDerWaalsContact O-CG 3.3Å; L29-R35 WeakPolarHBondContact O-CG 3.48Å; L29-R35 PolarHBondContact O-NH1 3.14Å; N30-R35 PolarHBondContact OD1-NH1 3.23Å; C31-R35 PolarHBondContact O-N 2.94Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.4Å; R35-I37 VanDerWaalsContact C-N 3.32Å; R35-I37 PolarHBondContact O-N 3.36Å; R35-T39 VanDerWaalsContact O-CB 3.23Å; R35-T39 WeakPolarHBondContact O-CB 3.49Å; R35-T39 PolarHBondContact O-N 3.39Å; R35-T39 PolarHBondContact O-OG1 3.23Å
36	R	40.8	Very low	36.2	Very low	107 Å²	107	92.3 Å²	92.3	40%	0.404	47%	0.472	S	S	.	.	H	α-helix	trans	-62.3	-40.5	173.1	-91.5	175.9	74.7	172.6	-3.3	111.4	W32 L33 W40 E89	W32-R36 VanDerWaalsContact O-CB 3.22Å; W32-R36 WeakPolarHBondContact O-CB 3.31Å; W32-R36 PolarHBondContact O-N 3.5Å; L33-R36 PolarHBondContact O-N 2.95Å; R36-W40 WeakPolarHBondContact O-CB 3.16Å; R36-W40 PolarHBondContact O-N 3.47Å; R36-E89 IonicContact CZ-OE1 3.1Å; R36-E89 IonicContact NH1-OE1 3.25Å; R36-E89 PolarHBondContact NH1-OE1 3.1Å; R36-E89 IonicContact NH2-OE1 3.98Å
37	I	39.7	Very low	36.7	Very low	26 Å²	26	91.2 Å²	91.2	13%	0.133	47%	0.472	C	S	.	.	H	α-helix	trans	-67.9	-44.9	179.6	-67.3	158.4	0	0	0	111.3	L33 V34 R35 W40 A41 I81 L82	L33-I37 HydrophobicContact CB-CD1 4.46Å; L33-I37 VanDerWaalsContact O-CB 3.32Å; L33-I37 WeakPolarHBondContact O-CB 3.22Å; L33-I37 WeakPolarHBondContact O-CD1 3.47Å; L33-I37 WeakPolarHBondContact O-CG1 3.37Å; L33-I37 PolarHBondContact O-N 3.47Å; V34-I37 PolarHBondContact O-N 3.19Å; R35-I37 VanDerWaalsContact C-N 3.32Å; R35-I37 PolarHBondContact O-N 3.36Å; I37-W40 PolarHBondContact O-N 3.35Å; I37-A41 VanDerWaalsContact O-CB 3.25Å; I37-A41 WeakPolarHBondContact O-CB 3.27Å; I37-A41 PolarHBondContact O-N 3.32Å; I37-I81 HydrophobicContact CG1-CG2 4.46Å; I37-I81 HydrophobicContact CG2-CG2 4.26Å; I37-L82 HydrophobicContact CD1-CD2 3.3Å; I37-L82 HydrophobicContact CD1-CG 4.12Å; I37-L82 HydrophobicContact CG1-CD2 4.25Å; I37-L82 HydrophobicContact CG2-CG 4.39Å
38	V	37	Very low	37.3	Very low	86 Å²	86	93.6 Å²	93.6	52%	0.521	49%	0.491	S	S	.	.	H	α-helix	trans	-72.7	-33.3	178.5	172.1	0	0	0	0	112.2	V34 W40 A41 S42	V34-V38 HydrophobicContact CG1-CG2 4.14Å; V34-V38 VanDerWaalsContact O-CB 3.26Å; V34-V38 WeakPolarHBondContact O-CB 3.44Å; V34-V38 WeakPolarHBondContact O-CG2 3.48Å; V34-V38 PolarHBondContact O-N 3.03Å; V38-W40 VanDerWaalsContact C-N 3.35Å; V38-A41 PolarHBondContact O-N 2.93Å; V38-S42 PolarHBondContact O-N 3.36Å
39	T	36.3	Very low	37.7	Very low	93 Å²	93	95.5 Å²	95.5	57%	0.571	51%	0.505	S	S	*	.	H	α-helix	trans	-73.8	-26.8	175.4	-39.7	0	0	0	0	111.7	R35	R35-T39 VanDerWaalsContact O-CB 3.23Å; R35-T39 WeakPolarHBondContact O-CB 3.49Å; R35-T39 PolarHBondContact O-N 3.39Å; R35-T39 PolarHBondContact O-OG1 3.23Å
40	W	35.3	Very low	38	Very low	127 Å²	127	99 Å²	99	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-77.1	-32	168.5	-103.7	60.4	0	0	0	113.6	R36 I37 V38 S42 I81	R36-W40 WeakPolarHBondContact O-CB 3.16Å; R36-W40 PolarHBondContact O-N 3.47Å; I37-W40 PolarHBondContact O-N 3.35Å; V38-W40 VanDerWaalsContact C-N 3.35Å; W40-S42 VanDerWaalsContact C-N 3.29Å; W40-S42 PolarHBondContact O-N 3.1Å; W40-I81 HydrophobicContact CB-CG2 3.91Å; W40-I81 HydrophobicContact CE3-CG1 4.15Å; W40-I81 HydrophobicContact CE3-CG2 4.31Å; W40-I81 HydrophobicContact CG-CG2 4.47Å
41	A	31.8	Very low	38.3	Very low	48 Å²	48	98.2 Å²	98.2	40%	0.397	52%	0.515	S	S	.	.	S	Bend	trans	-81.1	-2.8	-177.6	0	0	0	0	0	114.3	I37 V38 I81	I37-A41 VanDerWaalsContact O-CB 3.25Å; I37-A41 WeakPolarHBondContact O-CB 3.27Å; I37-A41 PolarHBondContact O-N 3.32Å; V38-A41 PolarHBondContact O-N 2.93Å; A41-I81 HydrophobicContact CB-CD1 4.34Å
42	S	29.6	Very low	38.2	Very low	82 Å²	82	103.5 Å²	103.5	57%	0.573	54%	0.536	S	S	*	.	S	Bend	trans	-90.4	116.8	176.4	-149.1	0	0	0	0	109.3	V38 W40 H44	V38-S42 PolarHBondContact O-N 3.36Å; W40-S42 VanDerWaalsContact C-N 3.29Å; W40-S42 PolarHBondContact O-N 3.1Å; S42-H44 PolarHBondContact O-N 2.96Å
43	P	33.7	Very low	38.2	Very low	118 Å²	118	101.8 Å²	101.8	77%	0.766	54%	0.539	S	S	*	.			trans	-69	107.1	-175.5	26.5	-31	0	0	0	109.5
44	H	34	Very low	38.3	Very low	143 Å²	143	104.1 Å²	104.1	66%	0.662	55%	0.548	S	S	*	.			trans	-67.8	133.7	161	-89.3	-48.8	0	0	0	108.2	S42 K46	S42-H44 PolarHBondContact O-N 2.96Å; H44-K46 PolarHBondContact O-N 3.02Å
45	P	40.3	Very low	38.3	Very low	125 Å²	125	107 Å²	107	81%	0.812	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	14.6	-172.3	-17.3	29.8	0	0	0	115.5
46	K	35.4	Very low	38.3	Very low	187 Å²	187	105.7 Å²	105.7	81%	0.813	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	-1.9	-169.3	-69.3	-168.6	177.1	-177.2	0	116.3	H44	H44-K46 PolarHBondContact O-N 3.02Å
47	D	39.4	Very low	38.1	Very low	100 Å²	100	104 Å²	104	54%	0.535	58%	0.579	S	S	.	*			trans	-113.2	55.7	-170	-56.5	-37	0	0	0	112.8
48	S	45.8	Very low	38	Very low	97 Å²	97	107.2 Å²	107.2	68%	0.678	60%	0.6	S	S	*	*	S	Bend	trans	-98.7	3.3	-171.6	-67.5	0	0	0	0	116.7
49	V	42.7	Very low	37.9	Very low	113 Å²	113	114.1 Å²	114.1	69%	0.685	62%	0.617	S	S	*	*	S	Bend	trans	-136.8	-30.2	-174.5	-95.3	0	0	0	0	115.3
50	E	41.9	Very low	38.1	Very low	166 Å²	166	116.8 Å²	116.8	78%	0.776	62%	0.622	S	S	*	*	H	α-helix	trans	-82.2	-33.8	178.4	-67.1	-178.1	160.6	0	0	111.8	E52 L53 E54	E50-E52 PolarHBondContact O-N 3.24Å; E50-L53 WeakPolarHBondContact O-CB 3.39Å; E50-L53 PolarHBondContact O-N 3.29Å; E50-E54 PolarHBondContact O-N 2.96Å
51	D	42	Very low	38.4	Very low	60 Å²	60	120.5 Å²	120.5	32%	0.321	64%	0.636	S	S	.	*	H	α-helix	trans	-70.5	-32.5	179.7	-134.5	12.9	0	0	0	111.9	L53 E54 L55	D51-L53 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 3.46Å; D51-E54 PolarHBondContact O-N 3.45Å; D51-L55 WeakPolarHBondContact O-CB 3.3Å; D51-L55 VanDerWaalsContact O-CD1 3.26Å; D51-L55 WeakPolarHBondContact O-CD1 3.09Å; D51-L55 VanDerWaalsContact O-CG 3.26Å; D51-L55 WeakPolarHBondContact O-CG 3.42Å; D51-L55 PolarHBondContact O-N 2.77Å
52	E	40.4	Very low	39.1	Very low	144 Å²	144	119.7 Å²	119.7	67%	0.673	63%	0.627	S	S	*	*	H	α-helix	trans	-67	-30.8	174.3	-154.1	177.3	-160.3	0	0	111.7	E50 S56	E50-E52 PolarHBondContact O-N 3.24Å; E52-S56 PolarHBondContact O-N 2.85Å
53	L	39.8	Very low	40	Very low	129 Å²	129	125 Å²	125	68%	0.675	64%	0.643	S	S	*	*	H	α-helix	trans	-77.4	-38.9	175.1	-132.1	86	0	0	0	111.8	E50 D51 S56 A57	E50-L53 WeakPolarHBondContact O-CB 3.39Å; E50-L53 PolarHBondContact O-N 3.29Å; D51-L53 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 3.46Å; L53-S56 PolarHBondContact O-N 3.2Å; L53-S56 PolarHBondContact O-OG 2.82Å; L53-A57 PolarHBondContact O-N 3.01Å
54	E	42	Very low	41.4	Very low	95 Å²	95	120 Å²	120	44%	0.444	61%	0.613	S	S	.	*	H	α-helix	trans	-68.5	-39.5	173	-80.5	-157.8	168.7	0	0	112.5	E50 D51 S56 A57 R84	E50-E54 PolarHBondContact O-N 2.96Å; D51-E54 PolarHBondContact O-N 3.45Å; E54-S56 PolarHBondContact O-N 2.87Å; E54-A57 PolarHBondContact O-N 3.24Å; E54-R84 IonicContact OE2-CZ 2.76Å; E54-R84 IonicContact OE2-NH1 3.96Å; E54-R84 PolarHBondContact OE2-NH1 2.87Å; E54-R84 IonicContact OE2-NH2 2.94Å; E54-R84 PolarHBondContact OE2-NH2 3.03Å
55	L	39.9	Very low	43.1	Very low	90 Å²	90	113.7 Å²	113.7	47%	0.471	58%	0.583	S	S	.	*	H	α-helix	trans	-60.9	-26.8	173.2	-82.1	155.7	0	0	0	112.4	D51	D51-L55 WeakPolarHBondContact O-CB 3.3Å; D51-L55 VanDerWaalsContact O-CD1 3.26Å; D51-L55 WeakPolarHBondContact O-CD1 3.09Å; D51-L55 VanDerWaalsContact O-CG 3.26Å; D51-L55 WeakPolarHBondContact O-CG 3.42Å; D51-L55 PolarHBondContact O-N 2.77Å
56	S	37.5	Very low	44.7	Very low	84 Å²	84	113.3 Å²	113.3	59%	0.587	57%	0.571	S	S	*	*	H	α-helix	trans	-83.5	-18.9	174.4	81.4	0	0	0	0	114.1	E52 L53 E54	E52-S56 PolarHBondContact O-N 2.85Å; L53-S56 PolarHBondContact O-N 3.2Å; L53-S56 PolarHBondContact O-OG 2.82Å; E54-S56 PolarHBondContact O-N 2.87Å
57	A	35.1	Very low	46.8	Very low	71 Å²	71	110.3 Å²	110.3	59%	0.587	56%	0.56	S	S	*	*	H	α-helix	trans	-88.4	-18	-173	0	0	0	0	0	113.8	L53 E54 R59	L53-A57 PolarHBondContact O-N 3.01Å; E54-A57 PolarHBondContact O-N 3.24Å; A57-R59 VanDerWaalsContact C-N 3.26Å; A57-R59 PolarHBondContact O-N 2.96Å
58	V	37.4	Very low	48.7	Very low	94 Å²	94	105.8 Å²	105.8	57%	0.57	54%	0.535	S	S	*	.			trans	-76.8	81.1	172.1	-173.6	0	0	0	0	109	H60	V58-H60 PolarHBondContact O-N 2.73Å
59	R	36.4	Very low	50.5	Low	231 Å²	231	104.8 Å²	104.8	87%	0.872	52%	0.52	S	S	*	.			trans	-70.8	41.7	176.8	-70.8	-173.3	175.8	-174.3	0	113.7	A57	A57-R59 VanDerWaalsContact C-N 3.26Å; A57-R59 PolarHBondContact O-N 2.96Å
60	H	38.7	Very low	52.4	Low	148 Å²	148	103.6 Å²	103.6	69%	0.685	52%	0.522	S	S	*	.			trans	-131.8	95.5	160.7	-93.6	47.8	0	0	0	106.1	V58 P62	V58-H60 PolarHBondContact O-N 2.73Å; H60-P62 WeakPolarHBondContact O-CD 3.03Å
61	R	42.2	Very low	54.3	Low	205 Å²	205	101.1 Å²	101.1	77%	0.774	51%	0.51	S	S	*	.			trans	-54.1	116.2	157	-111.5	-178.1	174.9	-178	-4.7	105.1	E63	R61-E63 VanDerWaalsContact C-N 3.34Å; R61-E63 PolarHBondContact O-N 3.15Å
62	P	47.3	Very low	56.2	Low	32 Å²	32	98.8 Å²	98.8	21%	0.208	50%	0.498	C	S	.	.			trans	-64.2	107.4	162.8	-10.6	28.4	0	0	0	104.7	H60 G64 L65 Y83	H60-P62 WeakPolarHBondContact O-CD 3.03Å; P62-G64 VanDerWaalsContact C-N 3.28Å; P62-G64 PolarHBondContact O-N 3.11Å; P62-L65 HydrophobicContact CB-CD1 4.41Å; P62-L65 HydrophobicContact CB-CG 4.01Å; P62-L65 VanDerWaalsContact CD-CD1 3.43Å; P62-L65 HydrophobicContact CG-CD1 3.62Å; P62-L65 HydrophobicContact CG-CG 3.69Å; P62-L65 PolarHBondContact O-N 3.49Å; P62-L65 VanDerWaalsContact O-N 3.16Å; P62-Y83 HydrophobicContact CG-CD1 4.32Å; P62-Y83 HydrophobicContact CG-CE1 4.2Å; P62-Y83 HydrophobicContact CG-CE2 4.42Å; P62-Y83 HydrophobicContact CG-CG 4.49Å
63	E	47.3	Very low	58.1	Low	193 Å²	193	97 Å²	97	90%	0.902	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	103.3	159.6	-68.8	-178.7	159.3	0	0	104.8	R61	R61-E63 VanDerWaalsContact C-N 3.34Å; R61-E63 PolarHBondContact O-N 3.15Å
64	G	63.4	Low	60	Low	13 Å²	13	91.5 Å²	91.5	13%	0.134	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	135.1	-21.2	-172.6	0	0	0	0	0	116	P62 E66 Q67 L68	P62-G64 VanDerWaalsContact C-N 3.28Å; P62-G64 PolarHBondContact O-N 3.11Å; G64-E66 VanDerWaalsContact C-N 3.27Å; G64-E66 PolarHBondContact O-N 3.12Å; G64-Q67 CarbonylContact O-C 3.56Å; G64-Q67 WeakPolarHBondContact O-CA 3.35Å; G64-Q67 WeakPolarHBondContact O-CB 3.3Å; G64-Q67 PolarHBondContact O-N 3.44Å; G64-L68 WeakPolarHBondContact O-CG 3.24Å; G64-L68 PolarHBondContact O-N 3.2Å
65	L	71	Confident	61.8	Low	10 Å²	10	89.4 Å²	89.4	5%	0.052	45%	0.452	C	S	.	.	H	α-helix	trans	-57.2	-38.1	-179.6	-91.4	174.1	0	0	0	113.6	P62 E69 L79 Q80	P62-L65 HydrophobicContact CB-CD1 4.41Å; P62-L65 HydrophobicContact CB-CG 4.01Å; P62-L65 VanDerWaalsContact CD-CD1 3.43Å; P62-L65 HydrophobicContact CG-CD1 3.62Å; P62-L65 HydrophobicContact CG-CG 3.69Å; P62-L65 PolarHBondContact O-N 3.49Å; P62-L65 VanDerWaalsContact O-N 3.16Å; L65-E69 VanDerWaalsContact O-CB 3.3Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 PolarHBondContact O-N 3.32Å; L65-L79 HydrophobicContact CD2-CB 3.46Å; L65-L79 VanDerWaalsContact CD2-CB 3.46Å; L65-L79 HydrophobicContact CD2-CD1 4.25Å; L65-L79 HydrophobicContact CD2-CG 4.46Å; L65-Q80 HydrophobicContact CD1-CG 4.12Å
66	E	73.6	Confident	63.7	Low	118 Å²	118	89 Å²	89	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-72.6	-30.8	177.7	-73.6	172.9	-172.9	0	0	112.1	G64 A70 R76	G64-E66 VanDerWaalsContact C-N 3.27Å; G64-E66 PolarHBondContact O-N 3.12Å; E66-A70 PolarHBondContact O-N 3.12Å; E66-R76 IonicContact OE1-CZ 2.97Å; E66-R76 IonicContact OE1-NH1 3.35Å; E66-R76 PolarHBondContact OE1-NH1 2.88Å; E66-R76 IonicContact OE1-NH2 2.87Å
67	Q	79.1	Confident	65.5	Low	124 Å²	124	92.7 Å²	92.7	58%	0.579	45%	0.449	S	S	*	.	H	α-helix	trans	-73.1	-42.6	173.2	-69.9	178.5	-1.5	0	0	110.9	G64 E69 A70 Q71	G64-Q67 CarbonylContact O-C 3.56Å; G64-Q67 WeakPolarHBondContact O-CA 3.35Å; G64-Q67 WeakPolarHBondContact O-CB 3.3Å; G64-Q67 PolarHBondContact O-N 3.44Å; Q67-E69 VanDerWaalsContact C-N 3.32Å; Q67-E69 PolarHBondContact O-N 2.95Å; Q67-A70 CarbonylContact O-C 3.59Å; Q67-A70 WeakPolarHBondContact O-CB 2.95Å; Q67-A70 PolarHBondContact O-N 2.92Å; Q67-A70 VanDerWaalsContact O-N 3.08Å; Q67-Q71 WeakPolarHBondContact O-CB 3.2Å; Q67-Q71 VanDerWaalsContact O-CG 3.26Å; Q67-Q71 WeakPolarHBondContact O-CG 3.34Å; Q67-Q71 PolarHBondContact O-N 3.5Å
68	L	80.1	Confident	67.6	Low	4 Å²	4	91.3 Å²	91.3	2%	0.021	43%	0.431	C	S	.	.	H	α-helix	trans	-64.5	-36.1	174.8	-67	174.4	0	0	0	111.7	G64 A70 Q71 T72 L79 F134 E135 V138	G64-L68 WeakPolarHBondContact O-CG 3.24Å; G64-L68 PolarHBondContact O-N 3.2Å; L68-A70 VanDerWaalsContact C-N 3.27Å; L68-A70 PolarHBondContact O-N 3.48Å; L68-Q71 PolarHBondContact O-N 2.85Å; L68-T72 WeakPolarHBondContact O-CA 3.42Å; L68-T72 WeakPolarHBondContact O-CB 3.48Å; L68-T72 VanDerWaalsContact O-CG2 3.31Å; L68-T72 WeakPolarHBondContact O-CG2 3.24Å; L68-T72 PolarHBondContact O-N 3.08Å; L68-T72 PolarHBondContact O-OG1 2.71Å; L68-L79 HydrophobicContact CB-CD1 3.92Å; L68-L79 HydrophobicContact CB-CD2 4.39Å; L68-F134 HydrophobicContact CD1-CD1 3.89Å; L68-F134 HydrophobicContact CD1-CE1 3.75Å; L68-E135 HydrophobicContact CD1-CG 4.3Å; L68-E135 HydrophobicContact CD2-CB 4.02Å; L68-E135 HydrophobicContact CD2-CG 4.04Å; L68-V138 HydrophobicContact CD1-CG2 4.05Å; L68-V138 HydrophobicContact CD2-CG2 3.71Å; L68-V138 HydrophobicContact CG-CG2 4.33Å
69	E	82.8	Confident	69.5	Low	77 Å²	77	86.8 Å²	86.8	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-65	-32.2	172.3	-177	166.6	-142	0	0	111.9	L65 Q67 R76 L79	L65-E69 VanDerWaalsContact O-CB 3.3Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 PolarHBondContact O-N 3.32Å; Q67-E69 VanDerWaalsContact C-N 3.32Å; Q67-E69 PolarHBondContact O-N 2.95Å; E69-R76 WeakPolarHBondContact OE1-CB 3.22Å; E69-R76 PolarHBondContact OE1-N 2.77Å; E69-L79 HydrophobicContact CB-CD1 4Å
70	A	83.3	Confident	71.4	Confident	87 Å²	87	78.8 Å²	78.8	72%	0.719	38%	0.376	S	S	*	.	H	α-helix	trans	-79.9	-29.3	176	0	0	0	0	0	113.6	E66 Q67 L68	E66-A70 PolarHBondContact O-N 3.12Å; Q67-A70 CarbonylContact O-C 3.59Å; Q67-A70 WeakPolarHBondContact O-CB 2.95Å; Q67-A70 PolarHBondContact O-N 2.92Å; Q67-A70 VanDerWaalsContact O-N 3.08Å; L68-A70 VanDerWaalsContact C-N 3.27Å; L68-A70 PolarHBondContact O-N 3.48Å
71	Q	80.4	Confident	73.1	Confident	114 Å²	114	73.4 Å²	73.4	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-96.7	-23.7	-175.5	-67.2	176.6	30.7	0	0	113.3	Q67 L68 M139	Q67-Q71 WeakPolarHBondContact O-CB 3.2Å; Q67-Q71 VanDerWaalsContact O-CG 3.26Å; Q67-Q71 WeakPolarHBondContact O-CG 3.34Å; Q67-Q71 PolarHBondContact O-N 3.5Å; L68-Q71 PolarHBondContact O-N 2.85Å; Q71-M139 HydrophobicContact CB-CE 4.46Å; Q71-M139 HydrophobicContact CB-SD 3.99Å
72	T	82.3	Confident	74.7	Confident	11 Å²	11	63.9 Å²	63.9	7%	0.067	32%	0.316	C	S	.	.	S	Bend	trans	-106.4	164.7	177.8	74.2	0	0	0	0	111.2	L68 F74 V138 M139 S142	L68-T72 WeakPolarHBondContact O-CA 3.42Å; L68-T72 WeakPolarHBondContact O-CB 3.48Å; L68-T72 VanDerWaalsContact O-CG2 3.31Å; L68-T72 WeakPolarHBondContact O-CG2 3.24Å; L68-T72 PolarHBondContact O-N 3.08Å; L68-T72 PolarHBondContact O-OG1 2.71Å; T72-F74 PolarHBondContact O-N 2.82Å; T72-F74 PolarHBondContact OG1-N 3.2Å; T72-V138 HydrophobicContact CG2-CB 4.41Å; T72-V138 HydrophobicContact CG2-CG2 4.09Å; T72-M139 HydrophobicContact CG2-CG 4.48Å; T72-M139 HydrophobicContact CG2-SD 3.62Å; T72-S142 WeakPolarHBondContact CA-OG 3.41Å
73	R	79.9	Confident	76	Confident	108 Å²	108	64.6 Å²	64.6	41%	0.408	32%	0.315	S	S	.	.	S	Bend	trans	-89.4	21	174.2	-62.9	176.3	177.1	98.9	-1.3	111.9	S142 R146 E151	R73-S142 PolarHBondContact N-OG 2.9Å; R73-R146 HydrophobicContact CB-CB 3.82Å; R73-R146 HydrophobicContact CB-CG 4.46Å; R73-R146 VanDerWaalsContact CD-O 3.26Å; R73-R146 WeakPolarHBondContact CD-O 3.43Å; R73-R146 HydrophobicContact CG-CB 4.47Å; R73-R146 VanDerWaalsContact O-CD 3.22Å; R73-R146 WeakPolarHBondContact O-CD 3.31Å; R73-R146 PolarHBondContact O-NH1 3.35Å; R73-E151 IonicContact CZ-OE1 2.52Å; R73-E151 IonicContact CZ-OE2 2.8Å; R73-E151 IonicContact NH1-OE1 2.81Å; R73-E151 PolarHBondContact NH1-OE1 2.79Å; R73-E151 IonicContact NH1-OE2 3.42Å; R73-E151 PolarHBondContact NH1-OE2 2.93Å; R73-E151 VanDerWaalsContact NH2-CD 3.34Å; R73-E151 IonicContact NH2-OE1 3.84Å; R73-E151 PolarHBondContact NH2-OE1 3.5Å; R73-E151 IonicContact NH2-OE2 3.55Å; R73-E151 PolarHBondContact NH2-OE2 3.44Å; R73-E151 VanDerWaalsContact NH2-OE2 3.1Å
74	F	79.8	Confident	77.3	Confident	13 Å²	13	59.6 Å²	59.6	6%	0.057	29%	0.288	C	S	.	.			trans	-102.3	144.2	179.8	-65.6	-66.2	0	0	0	111.9	T72 E78 L79 L82 L141 L145	T72-F74 PolarHBondContact O-N 2.82Å; T72-F74 PolarHBondContact OG1-N 3.2Å; F74-E78 HydrophobicContact CB-CB 4.24Å; F74-E78 HydrophobicContact CD1-CB 4.27Å; F74-L79 HydrophobicContact CB-CD2 3.83Å; F74-L79 HydrophobicContact CB-CG 3.82Å; F74-L79 HydrophobicContact CD2-CD2 4.25Å; F74-L79 HydrophobicContact CG-CD2 4.4Å; F74-L82 HydrophobicContact CD1-CD1 4.35Å; F74-L82 HydrophobicContact CD2-CD1 4.18Å; F74-L82 HydrophobicContact CE2-CD1 4.32Å; F74-L82 HydrophobicContact CG-CD1 4.21Å; F74-L141 HydrophobicContact CE2-CB 4.08Å; F74-L141 HydrophobicContact CZ-CB 4.12Å; F74-L145 HydrophobicContact CE1-CD1 4.43Å; F74-L145 HydrophobicContact CZ-CD1 4.1Å
75	S	79.9	Confident	77.6	Confident	50 Å²	50	59.9 Å²	59.9	35%	0.35	29%	0.291	S	S	.	.			trans	-74.7	156.8	170.9	63.9	0	0	0	0	111.3	K77 E78 L79	S75-K77 PolarHBondContact O-N 3.33Å; S75-K77 VanDerWaalsContact O-N 3.1Å; S75-E78 PolarHBondContact N-OE2 3.35Å; S75-E78 WeakPolarHBondContact O-CB 3.4Å; S75-E78 PolarHBondContact O-N 3.07Å; S75-E78 VanDerWaalsContact OG-CD 3.29Å; S75-E78 VanDerWaalsContact OG-CG 3.28Å; S75-E78 WeakPolarHBondContact OG-CG 3.38Å; S75-E78 PolarHBondContact OG-N 3.38Å; S75-E78 PolarHBondContact OG-OE2 2.93Å; S75-L79 PolarHBondContact O-N 3.16Å
76	R	79.6	Confident	77.6	Confident	82 Å²	82	59.8 Å²	59.8	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-48.5	-39.6	173.8	-167.1	172.1	-175.2	132.7	3.8	114.2	E66 E69 L79 Q80	E66-R76 IonicContact OE1-CZ 2.97Å; E66-R76 IonicContact OE1-NH1 3.35Å; E66-R76 PolarHBondContact OE1-NH1 2.88Å; E66-R76 IonicContact OE1-NH2 2.87Å; E69-R76 WeakPolarHBondContact OE1-CB 3.22Å; E69-R76 PolarHBondContact OE1-N 2.77Å; R76-L79 PolarHBondContact O-N 3.1Å; R76-Q80 WeakPolarHBondContact O-CG 3.46Å; R76-Q80 PolarHBondContact O-N 3.25Å
77	K	77.1	Confident	77.6	Confident	161 Å²	161	57.4 Å²	57.4	70%	0.7	28%	0.278	S	S	*	.	H	α-helix	trans	-65.9	-43.5	178.3	-69.9	-173.5	178	-174.1	0	111.7	S75 Q80 I81	S75-K77 PolarHBondContact O-N 3.33Å; S75-K77 VanDerWaalsContact O-N 3.1Å; K77-Q80 PolarHBondContact O-N 2.76Å; K77-I81 WeakPolarHBondContact O-CG1 3.23Å; K77-I81 PolarHBondContact O-N 3.33Å; K77-I81 VanDerWaalsContact O-N 3.11Å
78	E	77.7	Confident	77.1	Confident	42 Å²	42	56.1 Å²	56.1	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-41.4	178.1	-68.6	167	141.7	0	0	111.3	F74 S75 Q80 I81 L82 R146	F74-E78 HydrophobicContact CB-CB 4.24Å; F74-E78 HydrophobicContact CD1-CB 4.27Å; S75-E78 PolarHBondContact N-OE2 3.35Å; S75-E78 WeakPolarHBondContact O-CB 3.4Å; S75-E78 PolarHBondContact O-N 3.07Å; S75-E78 VanDerWaalsContact OG-CD 3.29Å; S75-E78 VanDerWaalsContact OG-CG 3.28Å; S75-E78 WeakPolarHBondContact OG-CG 3.38Å; S75-E78 PolarHBondContact OG-N 3.38Å; S75-E78 PolarHBondContact OG-OE2 2.93Å; E78-Q80 VanDerWaalsContact C-N 3.32Å; E78-Q80 PolarHBondContact O-N 3.19Å; E78-I81 PolarHBondContact O-N 3.13Å; E78-L82 WeakPolarHBondContact O-CB 3.46Å; E78-L82 WeakPolarHBondContact O-CD1 3.35Å; E78-L82 WeakPolarHBondContact O-CG 3.34Å; E78-L82 PolarHBondContact O-N 2.79Å; E78-R146 VanDerWaalsContact CD-NH2 3.29Å; E78-R146 IonicContact OE1-CZ 3.54Å; E78-R146 IonicContact OE1-NH1 2.9Å; E78-R146 PolarHBondContact OE1-NH1 3.36Å; E78-R146 IonicContact OE1-NH2 3.74Å; E78-R146 PolarHBondContact OE1-NH2 3.45Å; E78-R146 IonicContact OE2-CZ 2.86Å; E78-R146 IonicContact OE2-NH1 3.7Å; E78-R146 PolarHBondContact OE2-NH1 2.71Å; E78-R146 IonicContact OE2-NH2 3.59Å; E78-R146 PolarHBondContact OE2-NH2 2.82Å
79	L	77.5	Confident	76.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-37.3	175.3	-68.6	171.7	0	0	0	112.3	L65 L68 E69 F74 S75 R76 L82 Y83 V138	L65-L79 HydrophobicContact CD2-CB 3.46Å; L65-L79 VanDerWaalsContact CD2-CB 3.46Å; L65-L79 HydrophobicContact CD2-CD1 4.25Å; L65-L79 HydrophobicContact CD2-CG 4.46Å; L68-L79 HydrophobicContact CB-CD1 3.92Å; L68-L79 HydrophobicContact CB-CD2 4.39Å; E69-L79 HydrophobicContact CB-CD1 4Å; F74-L79 HydrophobicContact CB-CD2 3.83Å; F74-L79 HydrophobicContact CB-CG 3.82Å; F74-L79 HydrophobicContact CD2-CD2 4.25Å; F74-L79 HydrophobicContact CG-CD2 4.4Å; S75-L79 PolarHBondContact O-N 3.16Å; R76-L79 PolarHBondContact O-N 3.1Å; L79-L82 HydrophobicContact CD2-CD1 4.32Å; L79-L82 PolarHBondContact O-N 3.25Å; L79-Y83 VanDerWaalsContact O-CB 3.28Å; L79-Y83 WeakPolarHBondContact O-CB 3.37Å; L79-Y83 PolarHBondContact O-N 2.74Å; L79-V138 HydrophobicContact CD2-CB 4.16Å; L79-V138 HydrophobicContact CD2-CG1 4.05Å; L79-V138 HydrophobicContact CD2-CG2 4.35Å
80	Q	76.2	Confident	75.7	Confident	63 Å²	63	56.7 Å²	56.7	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-41.6	173.9	-75.8	173.5	-27.5	0	0	112.4	L65 R76 K77 E78 Y83 R84	L65-Q80 HydrophobicContact CD1-CG 4.12Å; R76-Q80 WeakPolarHBondContact O-CG 3.46Å; R76-Q80 PolarHBondContact O-N 3.25Å; K77-Q80 PolarHBondContact O-N 2.76Å; E78-Q80 VanDerWaalsContact C-N 3.32Å; E78-Q80 PolarHBondContact O-N 3.19Å; Q80-Y83 PolarHBondContact O-N 3.23Å; Q80-R84 WeakPolarHBondContact O-CB 3.28Å; Q80-R84 PolarHBondContact O-N 3.39Å
81	I	75.2	Confident	75.1	Confident	34 Å²	34	57.6 Å²	57.6	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-46.8	176.8	-64.8	167.4	0	0	0	110.2	I37 W40 A41 K77 E78 Y83 R84 G85	I37-I81 HydrophobicContact CG1-CG2 4.46Å; I37-I81 HydrophobicContact CG2-CG2 4.26Å; W40-I81 HydrophobicContact CB-CG2 3.91Å; W40-I81 HydrophobicContact CE3-CG1 4.15Å; W40-I81 HydrophobicContact CE3-CG2 4.31Å; W40-I81 HydrophobicContact CG-CG2 4.47Å; A41-I81 HydrophobicContact CB-CD1 4.34Å; K77-I81 WeakPolarHBondContact O-CG1 3.23Å; K77-I81 PolarHBondContact O-N 3.33Å; K77-I81 VanDerWaalsContact O-N 3.11Å; E78-I81 PolarHBondContact O-N 3.13Å; I81-Y83 VanDerWaalsContact C-N 3.33Å; I81-Y83 PolarHBondContact O-N 2.77Å; I81-R84 PolarHBondContact O-N 2.94Å; I81-G85 PolarHBondContact O-N 3.31Å
82	L	75.5	Confident	74.6	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-55	-48.3	174.1	-81.5	159.2	0	0	0	111.1	I37 F74 E78 L79 G85 F86 F134 F137 V138 L141	I37-L82 HydrophobicContact CD1-CD2 3.3Å; I37-L82 HydrophobicContact CD1-CG 4.12Å; I37-L82 HydrophobicContact CG1-CD2 4.25Å; I37-L82 HydrophobicContact CG2-CG 4.39Å; F74-L82 HydrophobicContact CD1-CD1 4.35Å; F74-L82 HydrophobicContact CD2-CD1 4.18Å; F74-L82 HydrophobicContact CE2-CD1 4.32Å; F74-L82 HydrophobicContact CG-CD1 4.21Å; E78-L82 WeakPolarHBondContact O-CB 3.46Å; E78-L82 WeakPolarHBondContact O-CD1 3.35Å; E78-L82 WeakPolarHBondContact O-CG 3.34Å; E78-L82 PolarHBondContact O-N 2.79Å; L79-L82 HydrophobicContact CD2-CD1 4.32Å; L79-L82 PolarHBondContact O-N 3.25Å; L82-G85 PolarHBondContact O-N 2.93Å; L82-F86 WeakPolarHBondContact O-CB 3.44Å; L82-F86 PolarHBondContact O-N 3.39Å; L82-F134 HydrophobicContact CB-CE2 3.99Å; L82-F134 HydrophobicContact CB-CZ 4Å; L82-F137 HydrophobicContact CD2-CE1 4.24Å; L82-V138 HydrophobicContact CB-CG1 4.31Å; L82-V138 HydrophobicContact CD1-CG1 4.11Å; L82-L141 HydrophobicContact CD2-CD1 3.59Å
83	Y	75.4	Confident	74.1	Confident	47 Å²	47	56.6 Å²	56.6	18%	0.184	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-43.3	-179.4	-172.2	-103.8	0	0	0	112.5	P62 L79 Q80 I81 G85 F86 K87 F134	P62-Y83 HydrophobicContact CG-CD1 4.32Å; P62-Y83 HydrophobicContact CG-CE1 4.2Å; P62-Y83 HydrophobicContact CG-CE2 4.42Å; P62-Y83 HydrophobicContact CG-CG 4.49Å; L79-Y83 VanDerWaalsContact O-CB 3.28Å; L79-Y83 WeakPolarHBondContact O-CB 3.37Å; L79-Y83 PolarHBondContact O-N 2.74Å; Q80-Y83 PolarHBondContact O-N 3.23Å; I81-Y83 VanDerWaalsContact C-N 3.33Å; I81-Y83 PolarHBondContact O-N 2.77Å; Y83-G85 VanDerWaalsContact C-N 3.32Å; Y83-G85 PolarHBondContact O-N 2.99Å; Y83-F86 PolarHBondContact O-N 3.03Å; Y83-K87 HydrophobicContact CD1-CG 4.31Å; Y83-K87 HydrophobicContact CE1-CG 3.83Å; Y83-K87 HydrophobicContact CE2-CG 4.31Å; Y83-K87 WeakPolarHBondContact O-CB 3.33Å; Y83-K87 PolarHBondContact O-N 3.24Å; Y83-K87 VanDerWaalsContact OH-CE 3.3Å; Y83-K87 WeakPolarHBondContact OH-CE 3.29Å; Y83-F134 HydrophobicContact CD2-CB 4.42Å; Y83-F134 AromaticContact CD2-CD1 3.62Å; Y83-F134 HydrophobicContact CD2-CD1 3.62Å; Y83-F134 AromaticContact CD2-CD2 3.89Å; Y83-F134 HydrophobicContact CD2-CD2 3.89Å; Y83-F134 AromaticContact CD2-CE1 3.73Å; Y83-F134 HydrophobicContact CD2-CE1 3.73Å; Y83-F134 HydrophobicContact CD2-CE2 4.02Å; Y83-F134 AromaticContact CD2-CG 3.69Å; Y83-F134 HydrophobicContact CD2-CG 3.69Å; Y83-F134 AromaticContact CD2-CZ 3.92Å; Y83-F134 HydrophobicContact CD2-CZ 3.92Å; Y83-F134 HydrophobicContact CE2-CD1 4.25Å; Y83-F134 HydrophobicContact CE2-CG 4.24Å; Y83-F134 HydrophobicContact CG-CE1 4.36Å; Y83-F134 HydrophobicContact CG-CE2 4.46Å; Y83-F134 HydrophobicContact CG-CZ 4.27Å
84	R	72.8	Confident	73.9	Confident	89 Å²	89	54.5 Å²	54.5	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-41	175.4	-173.8	176.9	176	165.7	0.7	111	E54 Q80 I81 N88	E54-R84 IonicContact OE2-CZ 2.76Å; E54-R84 IonicContact OE2-NH1 3.96Å; E54-R84 PolarHBondContact OE2-NH1 2.87Å; E54-R84 IonicContact OE2-NH2 2.94Å; E54-R84 PolarHBondContact OE2-NH2 3.03Å; Q80-R84 WeakPolarHBondContact O-CB 3.28Å; Q80-R84 PolarHBondContact O-N 3.39Å; I81-R84 PolarHBondContact O-N 2.94Å; R84-N88 WeakPolarHBondContact O-CB 3.4Å; R84-N88 PolarHBondContact O-N 3.41Å; R84-N88 VanDerWaalsContact O-N 3.09Å; R84-N88 PolarHBondContact O-ND2 2.89Å; R84-N88 VanDerWaalsContact O-ND2 3.09Å
85	G	70.5	Confident	73.9	Confident	18 Å²	18	54.3 Å²	54.3	19%	0.186	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-52.7	173.6	0	0	0	0	0	111.8	I81 L82 Y83 K87 N88 E89	I81-G85 PolarHBondContact O-N 3.31Å; L82-G85 PolarHBondContact O-N 2.93Å; Y83-G85 VanDerWaalsContact C-N 3.32Å; Y83-G85 PolarHBondContact O-N 2.99Å; G85-K87 PolarHBondContact O-N 3.5Å; G85-N88 PolarHBondContact O-N 2.81Å; G85-E89 PolarHBondContact O-N 2.92Å; G85-E89 VanDerWaalsContact O-N 3.16Å
86	F	71.7	Confident	74.1	Confident	9 Å²	9	55.1 Å²	55.1	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-44.7	180	-171.1	-88.2	0	0	0	112.6	L82 Y83 N88 E89 C90 G93 V95 F134 F137	L82-F86 WeakPolarHBondContact O-CB 3.44Å; L82-F86 PolarHBondContact O-N 3.39Å; Y83-F86 PolarHBondContact O-N 3.03Å; F86-N88 PolarHBondContact O-N 3.36Å; F86-E89 PolarHBondContact O-N 2.93Å; F86-C90 WeakPolarHBondContact O-CA 3.3Å; F86-C90 WeakPolarHBondContact O-CB 3.47Å; F86-C90 PolarHBondContact O-N 2.8Å; F86-G93 WeakPolarHBondContact CE1-O 3.15Å; F86-V95 HydrophobicContact CD2-CG2 4.23Å; F86-V95 HydrophobicContact CE1-CG2 4.36Å; F86-V95 HydrophobicContact CE2-CG2 3.36Å; F86-V95 HydrophobicContact CZ-CB 4.42Å; F86-V95 HydrophobicContact CZ-CG2 3.45Å; F86-V95 VanDerWaalsContact CZ-CG2 3.45Å; F86-F134 HydrophobicContact CB-CD2 3.82Å; F86-F134 HydrophobicContact CB-CE2 4.15Å; F86-F134 HydrophobicContact CD1-CB 4.23Å; F86-F134 HydrophobicContact CD1-CD2 4.1Å; F86-F134 HydrophobicContact CD2-CD2 4.14Å; F86-F134 HydrophobicContact CE1-CB 4.13Å; F86-F134 AromaticContact CG-CD2 3.78Å; F86-F134 HydrophobicContact CG-CD2 3.78Å; F86-F134 HydrophobicContact CZ-CB 4.41Å; F86-F137 HydrophobicContact CD2-CB 4.36Å; F86-F137 AromaticContact CD2-CD1 3.97Å; F86-F137 HydrophobicContact CD2-CD1 3.97Å; F86-F137 HydrophobicContact CD2-CG 4.1Å; F86-F137 HydrophobicContact CE2-CB 4.01Å; F86-F137 HydrophobicContact CE2-CD1 4.43Å; F86-F137 HydrophobicContact CE2-CG 4.11Å
87	K	72.3	Confident	74.3	Confident	68 Å²	68	53.9 Å²	53.9	30%	0.296	28%	0.283	S	S	.	.	H	α-helix	trans	-68.7	-29.3	177.7	-84.6	-64.1	-163.3	179.3	0	114.3	Y83 G85 C90 P91 G93	Y83-K87 HydrophobicContact CD1-CG 4.31Å; Y83-K87 HydrophobicContact CE1-CG 3.83Å; Y83-K87 HydrophobicContact CE2-CG 4.31Å; Y83-K87 WeakPolarHBondContact O-CB 3.33Å; Y83-K87 PolarHBondContact O-N 3.24Å; Y83-K87 VanDerWaalsContact OH-CE 3.3Å; Y83-K87 WeakPolarHBondContact OH-CE 3.29Å; G85-K87 PolarHBondContact O-N 3.5Å; K87-C90 CarbonylContact O-C 2.94Å; K87-P91 PolarHBondContact NZ-O 3.35Å; K87-P91 WeakPolarHBondContact O-CA 3.4Å; K87-G93 VanDerWaalsContact NZ-CA 3.31Å
88	N	69.9	Low	74.6	Confident	96 Å²	96	53.3 Å²	53.3	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-71	-40.9	176.1	-78.3	-27	0	0	0	111.8	R84 G85 F86	R84-N88 WeakPolarHBondContact O-CB 3.4Å; R84-N88 PolarHBondContact O-N 3.41Å; R84-N88 VanDerWaalsContact O-N 3.09Å; R84-N88 PolarHBondContact O-ND2 2.89Å; R84-N88 VanDerWaalsContact O-ND2 3.09Å; G85-N88 PolarHBondContact O-N 2.81Å; F86-N88 PolarHBondContact O-N 3.36Å
89	E	65.9	Low	74.7	Confident	89 Å²	89	53.5 Å²	53.5	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-80.1	-30.5	178.4	-55.5	-59.4	149.6	0	0	111.2	R36 G85 F86	R36-E89 IonicContact CZ-OE1 3.1Å; R36-E89 IonicContact NH1-OE1 3.25Å; R36-E89 PolarHBondContact NH1-OE1 3.1Å; R36-E89 IonicContact NH2-OE1 3.98Å; G85-E89 PolarHBondContact O-N 2.92Å; G85-E89 VanDerWaalsContact O-N 3.16Å; F86-E89 PolarHBondContact O-N 2.93Å
90	C	67.5	Low	74.8	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.034	29%	0.29	C	S	.	.			trans	-132.7	87.6	-179.3	-62.3	0	0	0	0	111.4	F86 K87 S92 G93 V95	F86-C90 WeakPolarHBondContact O-CA 3.3Å; F86-C90 WeakPolarHBondContact O-CB 3.47Å; F86-C90 PolarHBondContact O-N 2.8Å; K87-C90 CarbonylContact O-C 2.94Å; C90-S92 PolarHBondContact O-N 2.89Å; C90-S92 VanDerWaalsContact O-N 3.17Å; C90-G93 PolarHBondContact O-N 3.07Å; C90-V95 HydrophobicContact CB-CG2 4.2Å; C90-V95 VanDerWaalsContact SG-CG2 3.51Å
91	P	70.1	Confident	75	Confident	105 Å²	105	54.1 Å²	54.1	68%	0.682	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.6	-178.7	-24.8	34	0	0	0	113.5	K87 G93	K87-P91 PolarHBondContact NZ-O 3.35Å; K87-P91 WeakPolarHBondContact O-CA 3.4Å; P91-G93 PolarHBondContact O-N 2.81Å
92	S	70.8	Confident	75.1	Confident	85 Å²	85	57.6 Å²	57.6	59%	0.594	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-28	174.4	51.4	0	0	0	0	113.1	C90 V94	C90-S92 PolarHBondContact O-N 2.89Å; C90-S92 VanDerWaalsContact O-N 3.17Å; S92-V94 VanDerWaalsContact C-N 3.3Å; S92-V94 PolarHBondContact OG-N 2.94Å; S92-V94 PolarHBondContact OG-O 2.85Å
93	G	70	Confident	75	Confident	19 Å²	19	59 Å²	59	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	79.9	8.5	-172.6	0	0	0	0	0	114.8	F86 K87 C90 P91	F86-G93 WeakPolarHBondContact CE1-O 3.15Å; K87-G93 VanDerWaalsContact NZ-CA 3.31Å; C90-G93 PolarHBondContact O-N 3.07Å; P91-G93 PolarHBondContact O-N 2.81Å
94	V	76.3	Confident	74.7	Confident	64 Å²	64	57.8 Å²	57.8	39%	0.388	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.9	170.3	-66.9	0	0	0	0	108.8	S92	S92-V94 VanDerWaalsContact C-N 3.3Å; S92-V94 PolarHBondContact OG-N 2.94Å; S92-V94 PolarHBondContact OG-O 2.85Å
95	V	80.1	Confident	74.7	Confident	9 Å²	9	55.6 Å²	55.6	6%	0.055	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.3	174.6	179.7	0	0	0	0	107.7	F86 C90 F100 F121 S131 V132	F86-V95 HydrophobicContact CD2-CG2 4.23Å; F86-V95 HydrophobicContact CE1-CG2 4.36Å; F86-V95 HydrophobicContact CE2-CG2 3.36Å; F86-V95 HydrophobicContact CZ-CB 4.42Å; F86-V95 HydrophobicContact CZ-CG2 3.45Å; F86-V95 VanDerWaalsContact CZ-CG2 3.45Å; C90-V95 HydrophobicContact CB-CG2 4.2Å; C90-V95 VanDerWaalsContact SG-CG2 3.51Å; V95-F100 HydrophobicContact CG1-CB 3.86Å; V95-F100 HydrophobicContact CG1-CD2 3.96Å; V95-F100 HydrophobicContact CG1-CG 4.43Å; V95-F121 WeakPolarHBondContact O-CE2 3.21Å; V95-S131 CarbonylContact O-C 3.39Å; V95-S131 WeakPolarHBondContact O-CA 3.13Å; V95-V132 HydrophobicContact CB-CB 4.37Å; V95-V132 PolarHBondContact N-O 3.46Å; V95-V132 PolarHBondContact O-N 3.39Å
96	N	83.9	Confident	74.5	Confident	68 Å²	68	61.8 Å²	61.8	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	166.7	170.4	67.2	15.5	0	0	0	110.5	E98 T99 F100	N96-E98 VanDerWaalsContact C-N 3.32Å; N96-E98 PolarHBondContact O-N 3.41Å; N96-T99 PolarHBondContact O-N 3.36Å; N96-T99 WeakPolarHBondContact OD1-CB 3.44Å; N96-T99 PolarHBondContact OD1-N 3.43Å; N96-T99 PolarHBondContact OD1-OG1 3.45Å; N96-F100 WeakPolarHBondContact O-CB 3.41Å; N96-F100 PolarHBondContact O-N 2.9Å
97	E	83.8	Confident	74.1	Confident	56 Å²	56	64.3 Å²	64.3	26%	0.262	35%	0.346	S	S	.	.	H	α-helix	trans	-58.5	-41.3	-175.2	-166.4	-167.7	147.1	0	0	113.1	F100 K101 H118 F121	E97-F100 WeakPolarHBondContact O-CB 3.08Å; E97-F100 PolarHBondContact O-N 3.48Å; E97-K101 WeakPolarHBondContact O-CG 3.4Å; E97-K101 PolarHBondContact O-N 3.45Å; E97-K101 WeakPolarHBondContact OE1-CE 3.42Å; E97-K101 IonicContact OE1-NZ 2.62Å; E97-K101 PolarHBondContact OE1-NZ 3.34Å; E97-H118 IonicContact OE1-CE1 3.6Å; E97-H118 IonicContact OE1-CG 3.48Å; E97-H118 IonicContact OE1-ND1 2.66Å; E97-H118 PolarHBondContact OE1-ND1 2.87Å; E97-H118 IonicContact OE2-CE1 3.9Å; E97-H118 IonicContact OE2-ND1 3.55Å; E97-F121 HydrophobicContact CB-CD1 4.03Å; E97-F121 HydrophobicContact CB-CD2 4.37Å; E97-F121 HydrophobicContact CB-CE1 3.96Å; E97-F121 HydrophobicContact CB-CE2 4.29Å; E97-F121 HydrophobicContact CB-CG 4.24Å; E97-F121 HydrophobicContact CB-CZ 4.08Å; E97-F121 HydrophobicContact CG-CB 4.44Å; E97-F121 HydrophobicContact CG-CD1 3.94Å; E97-F121 HydrophobicContact CG-CE1 4.36Å; E97-F121 HydrophobicContact CG-CG 4.06Å
98	E	83.9	Confident	73.8	Confident	149 Å²	149	63.2 Å²	63.2	70%	0.696	34%	0.341	S	S	*	.	H	α-helix	trans	-62.8	-47	178.8	-67.2	-176.9	166.1	0	0	111.5	N96 F100 K101 D102	N96-E98 VanDerWaalsContact C-N 3.32Å; N96-E98 PolarHBondContact O-N 3.41Å; E98-F100 VanDerWaalsContact C-N 3.28Å; E98-F100 PolarHBondContact O-N 2.55Å; E98-K101 PolarHBondContact O-N 3.4Å; E98-D102 PolarHBondContact O-N 2.83Å
99	T	79.7	Confident	73.5	Confident	46 Å²	46	63.9 Å²	63.9	28%	0.282	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-38.9	176.7	-54.5	0	0	0	0	110.6	N96 D102 I103	N96-T99 PolarHBondContact O-N 3.36Å; N96-T99 WeakPolarHBondContact OD1-CB 3.44Å; N96-T99 PolarHBondContact OD1-N 3.43Å; N96-T99 PolarHBondContact OD1-OG1 3.45Å; T99-D102 PolarHBondContact O-N 3.03Å; T99-I103 HydrophobicContact CG2-CD1 3.99Å; T99-I103 WeakPolarHBondContact O-CD1 2.94Å; T99-I103 VanDerWaalsContact O-CG1 3.23Å; T99-I103 WeakPolarHBondContact O-CG1 3.09Å; T99-I103 PolarHBondContact O-N 3.49Å
100	F	79.7	Confident	73.3	Confident	18 Å²	18	67.4 Å²	67.4	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-44.2	176.6	-164.8	-91.9	0	0	0	111.8	V95 N96 E97 E98 I103 Y104 A117 L120 F121 F124	V95-F100 HydrophobicContact CG1-CB 3.86Å; V95-F100 HydrophobicContact CG1-CD2 3.96Å; V95-F100 HydrophobicContact CG1-CG 4.43Å; N96-F100 WeakPolarHBondContact O-CB 3.41Å; N96-F100 PolarHBondContact O-N 2.9Å; E97-F100 WeakPolarHBondContact O-CB 3.08Å; E97-F100 PolarHBondContact O-N 3.48Å; E98-F100 VanDerWaalsContact C-N 3.28Å; E98-F100 PolarHBondContact O-N 2.55Å; F100-I103 PolarHBondContact O-N 3.41Å; F100-Y104 AromaticContact CE1-CD2 3.89Å; F100-Y104 HydrophobicContact CE1-CD2 3.89Å; F100-Y104 HydrophobicContact CE1-CE2 4.23Å; F100-Y104 HydrophobicContact CZ-CD2 4.22Å; F100-Y104 HydrophobicContact CZ-CE2 4.26Å; F100-Y104 PolarHBondContact O-N 3.39Å; F100-A117 HydrophobicContact CD1-CB 4.17Å; F100-A117 WeakPolarHBondContact CD1-O 3.47Å; F100-A117 HydrophobicContact CE1-CB 4.4Å; F100-L120 HydrophobicContact CE1-CB 4.05Å; F100-L120 HydrophobicContact CE1-CD2 3.89Å; F100-L120 HydrophobicContact CE1-CG 3.96Å; F100-L120 HydrophobicContact CZ-CB 4.45Å; F100-L120 HydrophobicContact CZ-CD2 3.79Å; F100-L120 HydrophobicContact CZ-CG 3.87Å; F100-F121 HydrophobicContact CB-CD2 3.76Å; F100-F121 HydrophobicContact CB-CE2 4.43Å; F100-F121 HydrophobicContact CD1-CB 3.95Å; F100-F121 HydrophobicContact CD1-CD2 4.38Å; F100-F121 HydrophobicContact CD2-CD2 4.23Å; F100-F121 HydrophobicContact CE1-CB 4.34Å; F100-F121 HydrophobicContact CG-CB 4.3Å; F100-F121 AromaticContact CG-CD2 3.88Å; F100-F121 HydrophobicContact CG-CD2 3.88Å; F100-F124 HydrophobicContact CZ-CD2 4.23Å; F100-F124 HydrophobicContact CZ-CE2 4.4Å
101	K	81.2	Confident	73.4	Confident	58 Å²	58	68.5 Å²	68.5	25%	0.252	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-44.1	174.9	-74.7	175.5	-179	172.4	0	112	E97 E98 I103 Y104 A105 S114 A117	E97-K101 WeakPolarHBondContact O-CG 3.4Å; E97-K101 PolarHBondContact O-N 3.45Å; E97-K101 WeakPolarHBondContact OE1-CE 3.42Å; E97-K101 IonicContact OE1-NZ 2.62Å; E97-K101 PolarHBondContact OE1-NZ 3.34Å; E98-K101 PolarHBondContact O-N 3.4Å; K101-I103 VanDerWaalsContact C-N 3.34Å; K101-I103 PolarHBondContact O-N 3.13Å; K101-Y104 PolarHBondContact O-N 2.87Å; K101-Y104 VanDerWaalsContact O-N 3.15Å; K101-A105 WeakPolarHBondContact O-CB 3.24Å; K101-A105 PolarHBondContact O-N 3.48Å; K101-S114 WeakPolarHBondContact CE-O 3.38Å; K101-A117 HydrophobicContact CB-CB 4.49Å; K101-A117 HydrophobicContact CG-CB 3.91Å
102	D	77.1	Confident	73.8	Confident	107 Å²	107	67.3 Å²	67.3	57%	0.572	37%	0.367	S	S	*	.	H	α-helix	trans	-63.7	-39.4	178.8	-76.4	-16.4	0	0	0	112.2	E98 T99 Q106	E98-D102 PolarHBondContact O-N 2.83Å; T99-D102 PolarHBondContact O-N 3.03Å; D102-Q106 WeakPolarHBondContact O-CG 3.27Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-Q106 PolarHBondContact O-NE2 3.08Å
103	I	73.2	Confident	74.1	Confident	34 Å²	34	63.4 Å²	63.4	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-63.2	-45.6	172.9	-68.5	164.6	0	0	0	109.7	L33 T99 F100 K101 Q106 F107	L33-I103 HydrophobicContact CD1-CG2 4.35Å; T99-I103 HydrophobicContact CG2-CD1 3.99Å; T99-I103 WeakPolarHBondContact O-CD1 2.94Å; T99-I103 VanDerWaalsContact O-CG1 3.23Å; T99-I103 WeakPolarHBondContact O-CG1 3.09Å; T99-I103 PolarHBondContact O-N 3.49Å; F100-I103 PolarHBondContact O-N 3.41Å; K101-I103 VanDerWaalsContact C-N 3.34Å; K101-I103 PolarHBondContact O-N 3.13Å; I103-Q106 PolarHBondContact O-N 2.64Å; I103-F107 HydrophobicContact CG2-CE2 3.94Å; I103-F107 WeakPolarHBondContact O-CD2 3.48Å; I103-F107 VanDerWaalsContact O-CE2 3.25Å; I103-F107 WeakPolarHBondContact O-CE2 3.5Å
104	Y	68.7	Low	74.7	Confident	21 Å²	21	64.7 Å²	64.7	8%	0.082	35%	0.346	C	S	.	.	H	α-helix	trans	-67.2	-39.6	-178.6	-123.7	-97.8	0	0	0	113.2	F100 K101 Q106 F107 F108 A113 Y116 A117 L120 M183	F100-Y104 AromaticContact CE1-CD2 3.89Å; F100-Y104 HydrophobicContact CE1-CD2 3.89Å; F100-Y104 HydrophobicContact CE1-CE2 4.23Å; F100-Y104 HydrophobicContact CZ-CD2 4.22Å; F100-Y104 HydrophobicContact CZ-CE2 4.26Å; F100-Y104 PolarHBondContact O-N 3.39Å; K101-Y104 PolarHBondContact O-N 2.87Å; K101-Y104 VanDerWaalsContact O-N 3.15Å; Y104-Q106 PolarHBondContact O-N 2.89Å; Y104-F107 WeakPolarHBondContact O-CB 3.38Å; Y104-F107 PolarHBondContact O-N 2.86Å; Y104-F108 HydrophobicContact CD1-CD2 4.17Å; Y104-F108 AromaticContact CD1-CE2 3.99Å; Y104-F108 HydrophobicContact CD1-CE2 3.99Å; Y104-F108 HydrophobicContact CE1-CD2 4.42Å; Y104-F108 AromaticContact CE1-CE2 3.79Å; Y104-F108 HydrophobicContact CE1-CE2 3.79Å; Y104-A113 HydrophobicContact CD1-CB 4.17Å; Y104-Y116 HydrophobicContact CE1-CD1 4.11Å; Y104-Y116 HydrophobicContact CE1-CE1 4.41Å; Y104-A117 HydrophobicContact CD1-CB 4.35Å; Y104-A117 HydrophobicContact CG-CB 4Å; Y104-L120 HydrophobicContact CD2-CD2 4.25Å; Y104-L120 HydrophobicContact CE1-CD2 4.31Å; Y104-L120 HydrophobicContact CE2-CD2 3.33Å; Y104-L120 WeakPolarHBondContact OH-CD2 3.43Å; Y104-M183 HydrophobicContact CE1-SD 4.29Å
105	A	72.4	Confident	75.1	Confident	44 Å²	44	64.4 Å²	64.4	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-30.8	179.3	0	0	0	0	0	112.6	K101 F107 F108	K101-A105 WeakPolarHBondContact O-CB 3.24Å; K101-A105 PolarHBondContact O-N 3.48Å; A105-F107 PolarHBondContact O-N 3.3Å; A105-F108 CarbonylContact O-C 3.37Å; A105-F108 PolarHBondContact O-N 3.39Å
106	Q	67.1	Low	75.2	Confident	147 Å²	147	64.1 Å²	64.1	69%	0.687	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26	175.9	-69.6	173	48.8	0	0	113.2	D102 I103 Y104	D102-Q106 WeakPolarHBondContact O-CG 3.27Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-Q106 PolarHBondContact O-NE2 3.08Å; I103-Q106 PolarHBondContact O-N 2.64Å; Y104-Q106 PolarHBondContact O-N 2.89Å
107	F	63.5	Low	75.2	Confident	62 Å²	62	60.9 Å²	60.9	27%	0.272	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-24.1	177.7	-64.8	-72.3	0	0	0	113.6	W32 I103 Y104 A105 P109	W32-F107 HydrophobicContact CB-CE1 3.37Å; W32-F107 HydrophobicContact CB-CZ 3.57Å; W32-F107 AromaticContact CD1-CE1 3.98Å; W32-F107 AromaticContact CG-CE1 3.81Å; W32-F107 HydrophobicContact CG-CE1 3.81Å; W32-F107 HydrophobicContact CG-CZ 4.38Å; I103-F107 HydrophobicContact CG2-CE2 3.94Å; I103-F107 WeakPolarHBondContact O-CD2 3.48Å; I103-F107 VanDerWaalsContact O-CE2 3.25Å; I103-F107 WeakPolarHBondContact O-CE2 3.5Å; Y104-F107 WeakPolarHBondContact O-CB 3.38Å; Y104-F107 PolarHBondContact O-N 2.86Å; A105-F107 PolarHBondContact O-N 3.3Å; F107-P109 WeakPolarHBondContact O-CD 3.34Å
108	F	64.1	Low	75.3	Confident	45 Å²	45	61.5 Å²	61.5	20%	0.197	33%	0.328	C	S	.	.			trans	-125	61.4	-174.9	-61.3	-84	0	0	0	111.2	Y104 A105 Q110 G111 A113 M183 V241	Y104-F108 HydrophobicContact CD1-CD2 4.17Å; Y104-F108 AromaticContact CD1-CE2 3.99Å; Y104-F108 HydrophobicContact CD1-CE2 3.99Å; Y104-F108 HydrophobicContact CE1-CD2 4.42Å; Y104-F108 AromaticContact CE1-CE2 3.79Å; Y104-F108 HydrophobicContact CE1-CE2 3.79Å; A105-F108 CarbonylContact O-C 3.37Å; A105-F108 PolarHBondContact O-N 3.39Å; F108-Q110 PolarHBondContact O-N 2.99Å; F108-G111 PolarHBondContact O-N 3.34Å; F108-G111 VanDerWaalsContact O-N 3.13Å; F108-G111 VanDerWaalsContact O-O 3.13Å; F108-A113 HydrophobicContact CB-CB 4.18Å; F108-A113 HydrophobicContact CD2-CB 4.08Å; F108-A113 HydrophobicContact CG-CB 4.41Å; F108-M183 HydrophobicContact CB-CG 4.36Å; F108-M183 HydrophobicContact CD1-CG 3.74Å; F108-M183 HydrophobicContact CD1-SD 4.38Å; F108-M183 HydrophobicContact CD2-CG 3.99Å; F108-M183 HydrophobicContact CD2-SD 4.06Å; F108-M183 HydrophobicContact CE1-CG 3.96Å; F108-M183 HydrophobicContact CE1-SD 4.07Å; F108-M183 HydrophobicContact CE2-CG 4.21Å; F108-M183 HydrophobicContact CE2-SD 3.73Å; F108-M183 HydrophobicContact CG-CG 3.76Å; F108-M183 HydrophobicContact CG-SD 4.37Å; F108-M183 HydrophobicContact CZ-CE 4.48Å; F108-M183 HydrophobicContact CZ-CG 4.19Å; F108-M183 HydrophobicContact CZ-SD 3.73Å; F108-V241 HydrophobicContact CZ-CG1 4.5Å
109	P	64.7	Low	75.3	Confident	111 Å²	111	55.4 Å²	55.4	72%	0.721	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.3	-174.4	27.8	-36.3	0	0	0	114.4	F107	F107-P109 WeakPolarHBondContact O-CD 3.34Å
110	Q	62	Low	75.5	Confident	163 Å²	163	53.4 Å²	53.4	76%	0.762	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-4	-179.5	-60.1	-169.2	34	0	0	113.8	F108	F108-Q110 PolarHBondContact O-N 2.99Å
111	G	69	Low	75.7	Confident	27 Å²	27	52.8 Å²	52.8	28%	0.278	28%	0.284	S	S	.	.	S	Bend	trans	-128.3	176.1	179.5	0	0	0	0	0	111.7	F108 D182	F108-G111 PolarHBondContact O-N 3.34Å; F108-G111 VanDerWaalsContact O-N 3.13Å; F108-G111 VanDerWaalsContact O-O 3.13Å; G111-D182 WeakPolarHBondContact CA-O 3.32Å
112	D	78.2	Confident	75.8	Confident	81 Å²	81	51.7 Å²	51.7	43%	0.433	28%	0.281	S	S	.	.			trans	-103.7	99.7	171.2	-173.7	1.4	0	0	0	109.4	S114 D182 M183	D112-S114 VanDerWaalsContact C-N 3.3Å; D112-S114 WeakPolarHBondContact OD1-CB 3.13Å; D112-S114 PolarHBondContact OD1-N 2.85Å; D112-S114 PolarHBondContact OD1-OG 2.98Å; D112-D182 PolarHBondContact N-O 2.87Å; D112-D182 CarbonylContact O-C 3.43Å; D112-M183 WeakPolarHBondContact O-CA 3.22Å; D112-M183 PolarHBondContact O-N 3.02Å
113	A	76.6	Confident	76.1	Confident	3 Å²	3	47 Å²	47	3%	0.025	26%	0.257	C	S	.	.			trans	-86.1	-0.7	178.1	0	0	0	0	0	113	Y104 F108 T115 Y116 A117 M183	Y104-A113 HydrophobicContact CD1-CB 4.17Å; F108-A113 HydrophobicContact CB-CB 4.18Å; F108-A113 HydrophobicContact CD2-CB 4.08Å; F108-A113 HydrophobicContact CG-CB 4.41Å; A113-T115 PolarHBondContact O-N 2.95Å; A113-Y116 PolarHBondContact O-N 3.42Å; A113-A117 WeakPolarHBondContact O-CB 3.19Å; A113-A117 PolarHBondContact O-N 3.5Å; A113-M183 HydrophobicContact CB-CB 4.45Å; A113-M183 HydrophobicContact CB-CG 3.92Å; A113-M183 HydrophobicContact CB-SD 4.4Å
114	S	83.4	Confident	76.4	Confident	46 Å²	46	46 Å²	46	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-44	-168.4	-50.9	0	0	0	0	112.5	K101 D112 H118	K101-S114 WeakPolarHBondContact CE-O 3.38Å; D112-S114 VanDerWaalsContact C-N 3.3Å; D112-S114 WeakPolarHBondContact OD1-CB 3.13Å; D112-S114 PolarHBondContact OD1-N 2.85Å; D112-S114 PolarHBondContact OD1-OG 2.98Å; S114-H118 PolarHBondContact O-N 2.72Å
115	T	84.8	Confident	77.1	Confident	57 Å²	57	45.3 Å²	45.3	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-68.2	-41.7	179.4	-48.9	0	0	0	0	111.2	A113 H118 F119 A179	A113-T115 PolarHBondContact O-N 2.95Å; T115-H118 WeakPolarHBondContact O-CB 3.02Å; T115-H118 PolarHBondContact O-N 3.03Å; T115-F119 HydrophobicContact CG2-CD2 4.47Å; T115-F119 HydrophobicContact CG2-CE2 3.73Å; T115-F119 HydrophobicContact CG2-CZ 3.86Å; T115-F119 WeakPolarHBondContact O-CD2 3.3Å; T115-F119 PolarHBondContact O-N 2.89Å; T115-A179 HydrophobicContact CG2-CB 3.88Å
116	Y	82.6	Confident	77.2	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-40.8	178.2	-169.8	-103.5	0	0	0	111.8	Y104 A113 H118 F119 L120 A179 I180 M183 L242	Y104-Y116 HydrophobicContact CE1-CD1 4.11Å; Y104-Y116 HydrophobicContact CE1-CE1 4.41Å; A113-Y116 PolarHBondContact O-N 3.42Å; Y116-H118 VanDerWaalsContact C-N 3.26Å; Y116-H118 PolarHBondContact O-N 2.82Å; Y116-F119 PolarHBondContact O-N 2.65Å; Y116-L120 WeakPolarHBondContact O-CB 3.33Å; Y116-L120 PolarHBondContact O-N 3.43Å; Y116-A179 HydrophobicContact CD2-CB 4.27Å; Y116-I180 HydrophobicContact CD2-CG1 3.82Å; Y116-I180 HydrophobicContact CE2-CD1 4.17Å; Y116-I180 HydrophobicContact CE2-CG1 3.61Å; Y116-M183 HydrophobicContact CD1-CE 3.95Å; Y116-M183 HydrophobicContact CD1-SD 3.58Å; Y116-M183 VanDerWaalsContact CD1-SD 3.58Å; Y116-M183 HydrophobicContact CE1-CE 4.11Å; Y116-M183 HydrophobicContact CE1-SD 4.16Å; Y116-M183 HydrophobicContact CG-CE 4.21Å; Y116-M183 HydrophobicContact CG-SD 4.05Å; Y116-L242 HydrophobicContact CE1-CD2 3.64Å; Y116-L242 HydrophobicContact CE1-CG 4.45Å; Y116-L242 WeakPolarHBondContact OH-CD2 3.16Å; Y116-L242 VanDerWaalsContact OH-CG 3.31Å; Y116-L242 WeakPolarHBondContact OH-CG 3.46Å
117	A	82.9	Confident	77.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-33.7	174.7	0	0	0	0	0	112.1	F100 K101 Y104 A113 F121	F100-A117 HydrophobicContact CD1-CB 4.17Å; F100-A117 WeakPolarHBondContact CD1-O 3.47Å; F100-A117 HydrophobicContact CE1-CB 4.4Å; K101-A117 HydrophobicContact CB-CB 4.49Å; K101-A117 HydrophobicContact CG-CB 3.91Å; Y104-A117 HydrophobicContact CD1-CB 4.35Å; Y104-A117 HydrophobicContact CG-CB 4Å; A113-A117 WeakPolarHBondContact O-CB 3.19Å; A113-A117 PolarHBondContact O-N 3.5Å; A117-F121 WeakPolarHBondContact O-CB 3.22Å; A117-F121 PolarHBondContact O-N 3.23Å
118	H	86.9	Confident	78.5	Confident	69 Å²	69	47.2 Å²	47.2	32%	0.319	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-49.3	171.8	175.6	72.5	0	0	0	112.1	E97 S114 T115 Y116 L120 F121 N122	E97-H118 IonicContact OE1-CE1 3.6Å; E97-H118 IonicContact OE1-CG 3.48Å; E97-H118 IonicContact OE1-ND1 2.66Å; E97-H118 PolarHBondContact OE1-ND1 2.87Å; E97-H118 IonicContact OE2-CE1 3.9Å; E97-H118 IonicContact OE2-ND1 3.55Å; S114-H118 PolarHBondContact O-N 2.72Å; T115-H118 WeakPolarHBondContact O-CB 3.02Å; T115-H118 PolarHBondContact O-N 3.03Å; Y116-H118 VanDerWaalsContact C-N 3.26Å; Y116-H118 PolarHBondContact O-N 2.82Å; H118-L120 VanDerWaalsContact C-N 3.32Å; H118-L120 PolarHBondContact O-N 3.44Å; H118-F121 WeakPolarHBondContact O-CB 3.4Å; H118-F121 PolarHBondContact O-N 3.28Å; H118-N122 PolarHBondContact O-N 2.96Å
119	F	84.1	Confident	79.3	Confident	21 Å²	21	48.9 Å²	48.9	9%	0.092	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-41.7	178	-59.8	-38.1	0	0	0	112.1	T115 Y116 N122 A123 L159 I162 D175 I176 A179	T115-F119 HydrophobicContact CG2-CD2 4.47Å; T115-F119 HydrophobicContact CG2-CE2 3.73Å; T115-F119 HydrophobicContact CG2-CZ 3.86Å; T115-F119 WeakPolarHBondContact O-CD2 3.3Å; T115-F119 PolarHBondContact O-N 2.89Å; Y116-F119 PolarHBondContact O-N 2.65Å; F119-N122 PolarHBondContact O-N 3.3Å; F119-A123 PolarHBondContact O-N 2.98Å; F119-L159 HydrophobicContact CB-CD1 4.23Å; F119-I162 HydrophobicContact CD1-CD1 4.11Å; F119-I162 HydrophobicContact CD1-CG1 4.08Å; F119-I162 HydrophobicContact CD1-CG2 4.14Å; F119-I162 HydrophobicContact CE1-CD1 3.59Å; F119-I162 HydrophobicContact CE1-CG1 4.03Å; F119-I162 HydrophobicContact CE1-CG2 3.93Å; F119-I162 HydrophobicContact CE2-CD1 4.32Å; F119-I162 HydrophobicContact CZ-CD1 3.7Å; F119-D175 HydrophobicContact CZ-CB 4.24Å; F119-I176 HydrophobicContact CB-CD1 3.99Å; F119-I176 HydrophobicContact CD2-CD1 3.49Å; F119-I176 VanDerWaalsContact CD2-CD1 3.49Å; F119-I176 HydrophobicContact CE2-CD1 4.04Å; F119-I176 HydrophobicContact CG-CD1 3.82Å; F119-A179 HydrophobicContact CD2-CB 4.02Å; F119-A179 HydrophobicContact CE2-CB 3.75Å
120	L	82.8	Confident	80.2	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-43.1	176.8	-173.6	61	0	0	0	111.7	F100 Y104 Y116 H118 N122 A123 F124 W155 L159 L242	F100-L120 HydrophobicContact CE1-CB 4.05Å; F100-L120 HydrophobicContact CE1-CD2 3.89Å; F100-L120 HydrophobicContact CE1-CG 3.96Å; F100-L120 HydrophobicContact CZ-CB 4.45Å; F100-L120 HydrophobicContact CZ-CD2 3.79Å; F100-L120 HydrophobicContact CZ-CG 3.87Å; Y104-L120 HydrophobicContact CD2-CD2 4.25Å; Y104-L120 HydrophobicContact CE1-CD2 4.31Å; Y104-L120 HydrophobicContact CE2-CD2 3.33Å; Y104-L120 WeakPolarHBondContact OH-CD2 3.43Å; Y116-L120 WeakPolarHBondContact O-CB 3.33Å; Y116-L120 PolarHBondContact O-N 3.43Å; H118-L120 VanDerWaalsContact C-N 3.32Å; H118-L120 PolarHBondContact O-N 3.44Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-N122 PolarHBondContact O-N 2.96Å; L120-A123 WeakPolarHBondContact O-CB 3.28Å; L120-A123 PolarHBondContact O-N 3.42Å; L120-A123 VanDerWaalsContact O-N 3.08Å; L120-F124 HydrophobicContact CD1-CD2 3.99Å; L120-F124 HydrophobicContact CD1-CE2 3.57Å; L120-F124 HydrophobicContact CD2-CE2 4.29Å; L120-F124 HydrophobicContact CG-CD2 3.94Å; L120-F124 HydrophobicContact CG-CE2 3.73Å; L120-F124 VanDerWaalsContact O-CD2 3.25Å; L120-F124 WeakPolarHBondContact O-CD2 3.39Å; L120-F124 PolarHBondContact O-N 3.26Å; L120-W155 HydrophobicContact CD1-CH2 3.37Å; L120-W155 HydrophobicContact CD1-CZ2 3.79Å; L120-L159 HydrophobicContact CB-CD1 4.4Å; L120-L159 HydrophobicContact CD1-CD1 4.19Å; L120-L242 HydrophobicContact CD1-CD2 3.63Å; L120-L242 HydrophobicContact CD2-CD2 3.77Å; L120-L242 HydrophobicContact CG-CD2 4.33Å
121	F	84.3	Confident	81.3	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-56.6	-48.2	174.3	179.2	-91.5	0	0	0	111.2	V95 E97 F100 A117 H118 A123 F124 D125 V132	V95-F121 WeakPolarHBondContact O-CE2 3.21Å; E97-F121 HydrophobicContact CB-CD1 4.03Å; E97-F121 HydrophobicContact CB-CD2 4.37Å; E97-F121 HydrophobicContact CB-CE1 3.96Å; E97-F121 HydrophobicContact CB-CE2 4.29Å; E97-F121 HydrophobicContact CB-CG 4.24Å; E97-F121 HydrophobicContact CB-CZ 4.08Å; E97-F121 HydrophobicContact CG-CB 4.44Å; E97-F121 HydrophobicContact CG-CD1 3.94Å; E97-F121 HydrophobicContact CG-CE1 4.36Å; E97-F121 HydrophobicContact CG-CG 4.06Å; F100-F121 HydrophobicContact CB-CD2 3.76Å; F100-F121 HydrophobicContact CB-CE2 4.43Å; F100-F121 HydrophobicContact CD1-CB 3.95Å; F100-F121 HydrophobicContact CD1-CD2 4.38Å; F100-F121 HydrophobicContact CD2-CD2 4.23Å; F100-F121 HydrophobicContact CE1-CB 4.34Å; F100-F121 HydrophobicContact CG-CB 4.3Å; F100-F121 AromaticContact CG-CD2 3.88Å; F100-F121 HydrophobicContact CG-CD2 3.88Å; A117-F121 WeakPolarHBondContact O-CB 3.22Å; A117-F121 PolarHBondContact O-N 3.23Å; H118-F121 WeakPolarHBondContact O-CB 3.4Å; H118-F121 PolarHBondContact O-N 3.28Å; F121-A123 PolarHBondContact O-N 3.4Å; F121-F124 PolarHBondContact O-N 3.5Å; F121-D125 HydrophobicContact CE1-CB 4.23Å; F121-D125 WeakPolarHBondContact O-CB 3.49Å; F121-D125 PolarHBondContact O-N 3.03Å; F121-V132 HydrophobicContact CD2-CG2 3.77Å; F121-V132 HydrophobicContact CE2-CB 4.22Å; F121-V132 HydrophobicContact CE2-CG2 3.54Å; F121-V132 HydrophobicContact CG-CG2 4.46Å; F121-V132 HydrophobicContact CZ-CG2 4.04Å
122	N	84.3	Confident	81.9	Confident	35 Å²	35	38 Å²	38	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-21.8	177.3	-165.3	42.8	0	0	0	113.4	H118 F119 L120 I162 K164	H118-N122 PolarHBondContact O-N 2.96Å; F119-N122 PolarHBondContact O-N 3.3Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-N122 PolarHBondContact O-N 2.96Å; N122-I162 PolarHBondContact ND2-O 3.22Å; N122-K164 WeakPolarHBondContact ND2-CE 3.21Å
123	A	82.1	Confident	82.2	Confident	9 Å²	9	35.5 Å²	35.5	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-79.2	-26.5	172.2	0	0	0	0	0	112.8	F119 L120 F121 W155 L159	F119-A123 PolarHBondContact O-N 2.98Å; L120-A123 WeakPolarHBondContact O-CB 3.28Å; L120-A123 PolarHBondContact O-N 3.42Å; L120-A123 VanDerWaalsContact O-N 3.08Å; F121-A123 PolarHBondContact O-N 3.4Å; A123-W155 HydrophobicContact CB-CZ2 4.39Å; A123-L159 HydrophobicContact CB-CB 4.38Å; A123-L159 HydrophobicContact CB-CD1 3.89Å
124	F	80.3	Confident	82.4	Confident	12 Å²	12	36.1 Å²	36.1	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-85.5	-33.9	172.5	-80	-77.5	0	0	0	112.8	F100 L120 F121 T126 V132 D136 L144 W155	F100-F124 HydrophobicContact CZ-CD2 4.23Å; F100-F124 HydrophobicContact CZ-CE2 4.4Å; L120-F124 HydrophobicContact CD1-CD2 3.99Å; L120-F124 HydrophobicContact CD1-CE2 3.57Å; L120-F124 HydrophobicContact CD2-CE2 4.29Å; L120-F124 HydrophobicContact CG-CD2 3.94Å; L120-F124 HydrophobicContact CG-CE2 3.73Å; L120-F124 VanDerWaalsContact O-CD2 3.25Å; L120-F124 WeakPolarHBondContact O-CD2 3.39Å; L120-F124 PolarHBondContact O-N 3.26Å; F121-F124 PolarHBondContact O-N 3.5Å; F124-T126 VanDerWaalsContact C-N 3.31Å; F124-T126 PolarHBondContact O-N 3.24Å; F124-V132 HydrophobicContact CB-CG1 4.14Å; F124-V132 HydrophobicContact CB-CG2 3.82Å; F124-D136 WeakPolarHBondContact O-CB 3.47Å; F124-L144 HydrophobicContact CE1-CD1 4.4Å; F124-L144 HydrophobicContact CZ-CD1 3.81Å; F124-W155 HydrophobicContact CD2-CZ2 4.44Å; F124-W155 AromaticContact CE2-CZ2 3.95Å; F124-W155 HydrophobicContact CE2-CZ2 3.95Å; F124-W155 HydrophobicContact CZ-CZ2 4Å
125	D	83	Confident	82.5	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.032	22%	0.216	C	C	.	.			trans	-75.2	77.2	178.4	-175.3	11.2	0	0	0	110.9	F121 D127 H128 N129 G130 V132	F121-D125 HydrophobicContact CE1-CB 4.23Å; F121-D125 WeakPolarHBondContact O-CB 3.49Å; F121-D125 PolarHBondContact O-N 3.03Å; D125-D127 VanDerWaalsContact C-N 3.33Å; D125-D127 PolarHBondContact O-N 3.03Å; D125-H128 PolarHBondContact O-CE1 2.83Å; D125-H128 PolarHBondContact O-N 2.87Å; D125-H128 PolarHBondContact O-ND1 3.27Å; D125-H128 WeakPolarHBondContact OD1-CA 3.45Å; D125-H128 PolarHBondContact OD1-N 3.05Å; D125-N129 PolarHBondContact OD1-N 2.74Å; D125-N129 VanDerWaalsContact OD1-N 3.13Å; D125-N129 PolarHBondContact OD2-N 3.27Å; D125-G130 WeakPolarHBondContact OD2-CA 3.26Å; D125-G130 PolarHBondContact OD2-N 2.99Å; D125-V132 HydrophobicContact CB-CG2 4.06Å
126	T	74.7	Confident	82.4	Confident	99 Å²	99	36.7 Å²	36.7	61%	0.607	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.7	-174.6	64.2	0	0	0	0	114	F124 D136	F124-T126 VanDerWaalsContact C-N 3.31Å; F124-T126 PolarHBondContact O-N 3.24Å; T126-D136 PolarHBondContact OG1-OD1 2.84Å; T126-D136 VanDerWaalsContact OG1-OD1 3.06Å
127	D	79.3	Confident	82.2	Confident	91 Å²	91	37.5 Å²	37.5	49%	0.487	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.3	176.9	70.7	-21.1	0	0	0	113.1	D125 N129	D125-D127 VanDerWaalsContact C-N 3.33Å; D125-D127 PolarHBondContact O-N 3.03Å; D127-N129 PolarHBondContact O-N 3.08Å; D127-N129 VanDerWaalsContact OD1-CG 3.26Å; D127-N129 PolarHBondContact OD1-ND2 3.22Å; D127-N129 PolarHBondContact OD2-ND2 3.31Å
128	H	79.1	Confident	82.2	Confident	104 Å²	104	37.5 Å²	37.5	48%	0.481	21%	0.208	S	C	.	.			trans	52.5	34.7	176.3	-58.4	-57.9	0	0	0	113	D125 G130	D125-H128 PolarHBondContact O-CE1 2.83Å; D125-H128 PolarHBondContact O-N 2.87Å; D125-H128 PolarHBondContact O-ND1 3.27Å; D125-H128 WeakPolarHBondContact OD1-CA 3.45Å; D125-H128 PolarHBondContact OD1-N 3.05Å; H128-G130 VanDerWaalsContact C-N 3.26Å
129	N	81.3	Confident	82	Confident	79 Å²	79	37.4 Å²	37.4	42%	0.422	21%	0.208	S	C	.	.	S	Bend	trans	-86.2	-2.7	-177.4	77.4	27.9	0	0	0	111.9	D125 D127 S131	D125-N129 PolarHBondContact OD1-N 2.74Å; D125-N129 VanDerWaalsContact OD1-N 3.13Å; D125-N129 PolarHBondContact OD2-N 3.27Å; D127-N129 PolarHBondContact O-N 3.08Å; D127-N129 VanDerWaalsContact OD1-CG 3.26Å; D127-N129 PolarHBondContact OD1-ND2 3.22Å; D127-N129 PolarHBondContact OD2-ND2 3.31Å; N129-S131 VanDerWaalsContact C-N 3.34Å; N129-S131 VanDerWaalsContact OD1-CA 3.25Å; N129-S131 WeakPolarHBondContact OD1-CA 3.27Å; N129-S131 WeakPolarHBondContact OD1-CB 3.36Å; N129-S131 PolarHBondContact OD1-N 2.99Å; N129-S131 PolarHBondContact OD1-O 3.42Å; N129-S131 PolarHBondContact OD1-OG 3.4Å
130	G	83.2	Confident	81.8	Confident	43 Å²	43	36.7 Å²	36.7	44%	0.443	21%	0.207	S	C	.	.	S	Bend	trans	80.8	13.2	-177.2	0	0	0	0	0	113.6	D125 H128	D125-G130 WeakPolarHBondContact OD2-CA 3.26Å; D125-G130 PolarHBondContact OD2-N 2.99Å; H128-G130 VanDerWaalsContact C-N 3.26Å
131	S	83.8	Confident	81.6	Confident	29 Å²	29	37.2 Å²	37.2	20%	0.203	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	127.9	180	70.2	0	0	0	0	112	V95 N129 S133	V95-S131 CarbonylContact O-C 3.39Å; V95-S131 WeakPolarHBondContact O-CA 3.13Å; N129-S131 VanDerWaalsContact C-N 3.34Å; N129-S131 VanDerWaalsContact OD1-CA 3.25Å; N129-S131 WeakPolarHBondContact OD1-CA 3.27Å; N129-S131 WeakPolarHBondContact OD1-CB 3.36Å; N129-S131 PolarHBondContact OD1-N 2.99Å; N129-S131 PolarHBondContact OD1-O 3.42Å; N129-S131 PolarHBondContact OD1-OG 3.4Å; S131-S133 PolarHBondContact O-N 3.13Å
132	V	82.4	Confident	81.5	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.1	175.9	174.5	0	0	0	0	108.5	V95 F121 F124 D125 D136 F137	V95-V132 HydrophobicContact CB-CB 4.37Å; V95-V132 PolarHBondContact N-O 3.46Å; V95-V132 PolarHBondContact O-N 3.39Å; F121-V132 HydrophobicContact CD2-CG2 3.77Å; F121-V132 HydrophobicContact CE2-CB 4.22Å; F121-V132 HydrophobicContact CE2-CG2 3.54Å; F121-V132 HydrophobicContact CG-CG2 4.46Å; F121-V132 HydrophobicContact CZ-CG2 4.04Å; F124-V132 HydrophobicContact CB-CG1 4.14Å; F124-V132 HydrophobicContact CB-CG2 3.82Å; D125-V132 HydrophobicContact CB-CG2 4.06Å; V132-D136 HydrophobicContact CG1-CB 3.95Å; V132-F137 HydrophobicContact CG1-CB 4.14Å
133	S	84	Confident	81.3	Confident	29 Å²	29	37.5 Å²	37.5	20%	0.203	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	168.6	174.4	78.9	0	0	0	0	111	S131 E135 D136 F137	S131-S133 PolarHBondContact O-N 3.13Å; S133-E135 PolarHBondContact O-N 3.13Å; S133-E135 PolarHBondContact OG-N 3.11Å; S133-D136 VanDerWaalsContact CB-OD2 3.29Å; S133-D136 WeakPolarHBondContact CB-OD2 3.4Å; S133-D136 PolarHBondContact N-OD2 2.96Å; S133-D136 VanDerWaalsContact N-OD2 3.14Å; S133-D136 PolarHBondContact O-N 3.08Å; S133-D136 PolarHBondContact OG-N 3.48Å; S133-D136 PolarHBondContact OG-OD2 3.11Å; S133-F137 WeakPolarHBondContact O-CB 3.22Å; S133-F137 PolarHBondContact O-N 3.21Å; S133-F137 VanDerWaalsContact O-N 3.1Å
134	F	81.9	Confident	81.1	Confident	16 Å²	16	39.2 Å²	39.2	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-34.7	172.6	178.6	-109.5	0	0	0	112	L68 L82 Y83 F86 F137 V138	L68-F134 HydrophobicContact CD1-CD1 3.89Å; L68-F134 HydrophobicContact CD1-CE1 3.75Å; L82-F134 HydrophobicContact CB-CE2 3.99Å; L82-F134 HydrophobicContact CB-CZ 4Å; Y83-F134 HydrophobicContact CD2-CB 4.42Å; Y83-F134 AromaticContact CD2-CD1 3.62Å; Y83-F134 HydrophobicContact CD2-CD1 3.62Å; Y83-F134 AromaticContact CD2-CD2 3.89Å; Y83-F134 HydrophobicContact CD2-CD2 3.89Å; Y83-F134 AromaticContact CD2-CE1 3.73Å; Y83-F134 HydrophobicContact CD2-CE1 3.73Å; Y83-F134 HydrophobicContact CD2-CE2 4.02Å; Y83-F134 AromaticContact CD2-CG 3.69Å; Y83-F134 HydrophobicContact CD2-CG 3.69Å; Y83-F134 AromaticContact CD2-CZ 3.92Å; Y83-F134 HydrophobicContact CD2-CZ 3.92Å; Y83-F134 HydrophobicContact CE2-CD1 4.25Å; Y83-F134 HydrophobicContact CE2-CG 4.24Å; Y83-F134 HydrophobicContact CG-CE1 4.36Å; Y83-F134 HydrophobicContact CG-CE2 4.46Å; Y83-F134 HydrophobicContact CG-CZ 4.27Å; F86-F134 HydrophobicContact CB-CD2 3.82Å; F86-F134 HydrophobicContact CB-CE2 4.15Å; F86-F134 HydrophobicContact CD1-CB 4.23Å; F86-F134 HydrophobicContact CD1-CD2 4.1Å; F86-F134 HydrophobicContact CD2-CD2 4.14Å; F86-F134 HydrophobicContact CE1-CB 4.13Å; F86-F134 AromaticContact CG-CD2 3.78Å; F86-F134 HydrophobicContact CG-CD2 3.78Å; F86-F134 HydrophobicContact CZ-CB 4.41Å; F134-F137 PolarHBondContact O-N 3.28Å; F134-V138 HydrophobicContact CD1-CG1 4.47Å; F134-V138 HydrophobicContact CD2-CG1 4.21Å; F134-V138 HydrophobicContact CE1-CG1 3.88Å; F134-V138 HydrophobicContact CE1-CG2 4.48Å; F134-V138 HydrophobicContact CE2-CG1 3.55Å; F134-V138 HydrophobicContact CZ-CG1 3.38Å; F134-V138 WeakPolarHBondContact O-CG2 3.43Å; F134-V138 PolarHBondContact O-N 2.92Å
135	E	84.2	Confident	80.7	Confident	94 Å²	94	42.5 Å²	42.5	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-65.5	-50.2	-179.2	-55.4	-169.1	172.8	0	0	110.7	L68 S133 F137 V138 M139	L68-E135 HydrophobicContact CD1-CG 4.3Å; L68-E135 HydrophobicContact CD2-CB 4.02Å; L68-E135 HydrophobicContact CD2-CG 4.04Å; S133-E135 PolarHBondContact O-N 3.13Å; S133-E135 PolarHBondContact OG-N 3.11Å; E135-F137 VanDerWaalsContact C-N 3.26Å; E135-F137 PolarHBondContact O-N 2.95Å; E135-V138 VanDerWaalsContact O-CG2 3.27Å; E135-V138 WeakPolarHBondContact O-CG2 3.4Å; E135-V138 PolarHBondContact O-N 3.32Å; E135-M139 WeakPolarHBondContact O-CB 3.49Å; E135-M139 WeakPolarHBondContact O-CG 3.32Å; E135-M139 PolarHBondContact O-N 3.5Å
136	D	82.6	Confident	80.5	Confident	20 Å²	20	47.1 Å²	47.1	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-55.8	-43.6	175.2	-63	-57	0	0	0	111.7	F124 T126 V132 S133 M139 G140	F124-D136 WeakPolarHBondContact O-CB 3.47Å; T126-D136 PolarHBondContact OG1-OD1 2.84Å; T126-D136 VanDerWaalsContact OG1-OD1 3.06Å; V132-D136 HydrophobicContact CG1-CB 3.95Å; S133-D136 VanDerWaalsContact CB-OD2 3.29Å; S133-D136 WeakPolarHBondContact CB-OD2 3.4Å; S133-D136 PolarHBondContact N-OD2 2.96Å; S133-D136 VanDerWaalsContact N-OD2 3.14Å; S133-D136 PolarHBondContact O-N 3.08Å; S133-D136 PolarHBondContact OG-N 3.48Å; S133-D136 PolarHBondContact OG-OD2 3.11Å; D136-M139 PolarHBondContact O-N 3.16Å; D136-G140 PolarHBondContact O-N 3.29Å
137	F	79.9	Confident	80.5	Confident	21 Å²	21	43 Å²	43	9%	0.092	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-48.4	179.6	-174.8	-105	0	0	0	112.2	L33 L82 F86 V132 S133 F134 E135 L141	L33-F137 HydrophobicContact CD2-CE1 3.92Å; L33-F137 HydrophobicContact CD2-CE2 4.48Å; L33-F137 HydrophobicContact CD2-CZ 3.52Å; L82-F137 HydrophobicContact CD2-CE1 4.24Å; F86-F137 HydrophobicContact CD2-CB 4.36Å; F86-F137 AromaticContact CD2-CD1 3.97Å; F86-F137 HydrophobicContact CD2-CD1 3.97Å; F86-F137 HydrophobicContact CD2-CG 4.1Å; F86-F137 HydrophobicContact CE2-CB 4.01Å; F86-F137 HydrophobicContact CE2-CD1 4.43Å; F86-F137 HydrophobicContact CE2-CG 4.11Å; V132-F137 HydrophobicContact CG1-CB 4.14Å; S133-F137 WeakPolarHBondContact O-CB 3.22Å; S133-F137 PolarHBondContact O-N 3.21Å; S133-F137 VanDerWaalsContact O-N 3.1Å; F134-F137 PolarHBondContact O-N 3.28Å; E135-F137 VanDerWaalsContact C-N 3.26Å; E135-F137 PolarHBondContact O-N 2.95Å; F137-L141 HydrophobicContact CD1-CD1 3.96Å; F137-L141 HydrophobicContact CE1-CD1 3.29Å; F137-L141 HydrophobicContact CE1-CG 4.18Å; F137-L141 HydrophobicContact CE2-CD1 4.33Å; F137-L141 HydrophobicContact CE2-CG 4.46Å; F137-L141 HydrophobicContact CZ-CD1 3.48Å; F137-L141 VanDerWaalsContact CZ-CD1 3.48Å; F137-L141 HydrophobicContact CZ-CD2 4.48Å; F137-L141 HydrophobicContact CZ-CG 4.05Å; F137-L141 WeakPolarHBondContact O-CB 3.26Å; F137-L141 WeakPolarHBondContact O-CG 3.47Å; F137-L141 PolarHBondContact O-N 3.02Å
138	V	82	Confident	80.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-73.1	-30.5	179.2	-64.5	0	0	0	0	113	L68 T72 L79 L82 F134 E135 S142	L68-V138 HydrophobicContact CD1-CG2 4.05Å; L68-V138 HydrophobicContact CD2-CG2 3.71Å; L68-V138 HydrophobicContact CG-CG2 4.33Å; T72-V138 HydrophobicContact CG2-CB 4.41Å; T72-V138 HydrophobicContact CG2-CG2 4.09Å; L79-V138 HydrophobicContact CD2-CB 4.16Å; L79-V138 HydrophobicContact CD2-CG1 4.05Å; L79-V138 HydrophobicContact CD2-CG2 4.35Å; L82-V138 HydrophobicContact CB-CG1 4.31Å; L82-V138 HydrophobicContact CD1-CG1 4.11Å; F134-V138 HydrophobicContact CD1-CG1 4.47Å; F134-V138 HydrophobicContact CD2-CG1 4.21Å; F134-V138 HydrophobicContact CE1-CG1 3.88Å; F134-V138 HydrophobicContact CE1-CG2 4.48Å; F134-V138 HydrophobicContact CE2-CG1 3.55Å; F134-V138 HydrophobicContact CZ-CG1 3.38Å; F134-V138 WeakPolarHBondContact O-CG2 3.43Å; F134-V138 PolarHBondContact O-N 2.92Å; E135-V138 VanDerWaalsContact O-CG2 3.27Å; E135-V138 WeakPolarHBondContact O-CG2 3.4Å; E135-V138 PolarHBondContact O-N 3.32Å; V138-S142 VanDerWaalsContact O-CB 3.26Å; V138-S142 WeakPolarHBondContact O-CB 3.25Å; V138-S142 PolarHBondContact O-N 3.38Å
139	M	83.3	Confident	80.8	Confident	67 Å²	67	41.5 Å²	41.5	33%	0.33	23%	0.232	S	C	.	.	H	α-helix	trans	-64.7	-47.6	174.5	-73.7	-63.2	-71.4	0	0	110.9	Q71 T72 E135 D136 S142 I143	Q71-M139 HydrophobicContact CB-CE 4.46Å; Q71-M139 HydrophobicContact CB-SD 3.99Å; T72-M139 HydrophobicContact CG2-CG 4.48Å; T72-M139 HydrophobicContact CG2-SD 3.62Å; E135-M139 WeakPolarHBondContact O-CB 3.49Å; E135-M139 WeakPolarHBondContact O-CG 3.32Å; E135-M139 PolarHBondContact O-N 3.5Å; D136-M139 PolarHBondContact O-N 3.16Å; M139-S142 WeakPolarHBondContact O-CB 3.25Å; M139-S142 PolarHBondContact O-N 3.23Å; M139-I143 PolarHBondContact O-N 3.4Å
140	G	79	Confident	80.9	Confident	6 Å²	6	43 Å²	43	6%	0.062	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-45.3	174.8	0	0	0	0	0	112.4	D136 S142 I143 L144	D136-G140 PolarHBondContact O-N 3.29Å; G140-S142 VanDerWaalsContact C-N 3.31Å; G140-S142 PolarHBondContact O-N 3.45Å; G140-I143 PolarHBondContact O-N 2.93Å; G140-L144 WeakPolarHBondContact O-CG 3.41Å; G140-L144 PolarHBondContact O-N 2.95Å
141	L	79.8	Confident	80.9	Confident	14 Å²	14	43.5 Å²	43.5	7%	0.073	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-34.6	176.1	-75.8	-176.5	0	0	0	113.4	F74 L82 F137 I143 L144 L145	F74-L141 HydrophobicContact CE2-CB 4.08Å; F74-L141 HydrophobicContact CZ-CB 4.12Å; L82-L141 HydrophobicContact CD2-CD1 3.59Å; F137-L141 HydrophobicContact CD1-CD1 3.96Å; F137-L141 HydrophobicContact CE1-CD1 3.29Å; F137-L141 HydrophobicContact CE1-CG 4.18Å; F137-L141 HydrophobicContact CE2-CD1 4.33Å; F137-L141 HydrophobicContact CE2-CG 4.46Å; F137-L141 HydrophobicContact CZ-CD1 3.48Å; F137-L141 VanDerWaalsContact CZ-CD1 3.48Å; F137-L141 HydrophobicContact CZ-CD2 4.48Å; F137-L141 HydrophobicContact CZ-CG 4.05Å; F137-L141 WeakPolarHBondContact O-CB 3.26Å; F137-L141 WeakPolarHBondContact O-CG 3.47Å; F137-L141 PolarHBondContact O-N 3.02Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.31Å; L141-L144 PolarHBondContact O-N 3.47Å; L141-L145 HydrophobicContact CB-CD1 4.47Å; L141-L145 HydrophobicContact CD2-CD1 4.34Å; L141-L145 VanDerWaalsContact O-CB 3.26Å; L141-L145 WeakPolarHBondContact O-CB 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.36Å; L141-L145 PolarHBondContact O-N 3.05Å
142	S	82.3	Confident	80.8	Confident	4 Å²	4	45 Å²	45	3%	0.028	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-41.4	177.6	178.3	0	0	0	0	110.7	T72 R73 V138 M139 G140 R146 G147	T72-S142 WeakPolarHBondContact CA-OG 3.41Å; R73-S142 PolarHBondContact N-OG 2.9Å; V138-S142 VanDerWaalsContact O-CB 3.26Å; V138-S142 WeakPolarHBondContact O-CB 3.25Å; V138-S142 PolarHBondContact O-N 3.38Å; M139-S142 WeakPolarHBondContact O-CB 3.25Å; M139-S142 PolarHBondContact O-N 3.23Å; G140-S142 VanDerWaalsContact C-N 3.31Å; G140-S142 PolarHBondContact O-N 3.45Å; S142-R146 CarbonylContact O-C 3.57Å; S142-R146 WeakPolarHBondContact O-CA 3.26Å; S142-R146 WeakPolarHBondContact O-CB 3.2Å; S142-R146 PolarHBondContact O-N 3.41Å; S142-G147 PolarHBondContact O-N 3.12Å
143	I	80.1	Confident	80.9	Confident	44 Å²	44	45.2 Å²	45.2	23%	0.226	23%	0.231	C	C	.	.	H	α-helix	trans	-70.5	-50.5	176.2	-65.1	165.9	0	0	0	110.7	M139 G140 L141 L145 G147 E151 W155	M139-I143 PolarHBondContact O-N 3.4Å; G140-I143 PolarHBondContact O-N 2.93Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.31Å; I143-L145 PolarHBondContact O-N 3.26Å; I143-G147 WeakPolarHBondContact O-CA 3.41Å; I143-G147 PolarHBondContact O-N 3.03Å; I143-E151 HydrophobicContact CG2-CB 3.88Å; I143-E151 WeakPolarHBondContact CG2-O 3.18Å; I143-W155 HydrophobicContact CG2-CB 3.96Å; I143-W155 HydrophobicContact CG2-CG 4.37Å
144	L	76.1	Confident	81	Confident	44 Å²	44	46.6 Å²	46.6	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-44.8	-176.6	-72.2	173	0	0	0	112.8	F124 G140 L141 K152 W155	F124-L144 HydrophobicContact CE1-CD1 4.4Å; F124-L144 HydrophobicContact CZ-CD1 3.81Å; G140-L144 WeakPolarHBondContact O-CG 3.41Å; G140-L144 PolarHBondContact O-N 2.95Å; L141-L144 PolarHBondContact O-N 3.47Å; L144-K152 VanDerWaalsContact O-CE 3.24Å; L144-K152 WeakPolarHBondContact O-CE 3.08Å; L144-K152 PolarHBondContact O-NZ 3.26Å; L144-W155 HydrophobicContact CD1-CH2 4.05Å; L144-W155 HydrophobicContact CD1-CZ2 3.82Å; L144-W155 HydrophobicContact CD2-CD2 3.73Å; L144-W155 HydrophobicContact CD2-CE3 3.53Å; L144-W155 HydrophobicContact CD2-CG 4.44Å; L144-W155 HydrophobicContact CD2-CH2 3.96Å; L144-W155 HydrophobicContact CD2-CZ2 4.18Å; L144-W155 HydrophobicContact CD2-CZ3 3.67Å; L144-W155 HydrophobicContact CG-CD2 4.25Å; L144-W155 HydrophobicContact CG-CE3 4.48Å; L144-W155 HydrophobicContact CG-CH2 4.5Å; L144-W155 HydrophobicContact CG-CZ2 4.3Å
145	L	73.8	Confident	81.1	Confident	81 Å²	81	46.6 Å²	46.6	42%	0.424	24%	0.235	S	C	.	.	H	α-helix	trans	-88	-39	-173.9	-61.2	179.3	0	0	0	112.9	V34 F74 L141 I143	V34-L145 HydrophobicContact CG1-CD1 4.48Å; V34-L145 HydrophobicContact CG1-CD2 4.31Å; V34-L145 HydrophobicContact CG2-CD1 4.41Å; V34-L145 HydrophobicContact CG2-CD2 4.38Å; F74-L145 HydrophobicContact CE1-CD1 4.43Å; F74-L145 HydrophobicContact CZ-CD1 4.1Å; L141-L145 HydrophobicContact CB-CD1 4.47Å; L141-L145 HydrophobicContact CD2-CD1 4.34Å; L141-L145 VanDerWaalsContact O-CB 3.26Å; L141-L145 WeakPolarHBondContact O-CB 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.36Å; L141-L145 PolarHBondContact O-N 3.05Å; I143-L145 PolarHBondContact O-N 3.26Å
146	R	77.3	Confident	81	Confident	104 Å²	104	42.3 Å²	42.3	39%	0.392	22%	0.216	S	C	.	.	H	α-helix	trans	-126.3	-0.1	-169.9	-61.4	-177.1	-179.5	-178.9	2.8	114.1	R73 E78 S142	R73-R146 HydrophobicContact CB-CB 3.82Å; R73-R146 HydrophobicContact CB-CG 4.46Å; R73-R146 VanDerWaalsContact CD-O 3.26Å; R73-R146 WeakPolarHBondContact CD-O 3.43Å; R73-R146 HydrophobicContact CG-CB 4.47Å; R73-R146 VanDerWaalsContact O-CD 3.22Å; R73-R146 WeakPolarHBondContact O-CD 3.31Å; R73-R146 PolarHBondContact O-NH1 3.35Å; E78-R146 VanDerWaalsContact CD-NH2 3.29Å; E78-R146 IonicContact OE1-CZ 3.54Å; E78-R146 IonicContact OE1-NH1 2.9Å; E78-R146 PolarHBondContact OE1-NH1 3.36Å; E78-R146 IonicContact OE1-NH2 3.74Å; E78-R146 PolarHBondContact OE1-NH2 3.45Å; E78-R146 IonicContact OE2-CZ 2.86Å; E78-R146 IonicContact OE2-NH1 3.7Å; E78-R146 PolarHBondContact OE2-NH1 2.71Å; E78-R146 IonicContact OE2-NH2 3.59Å; E78-R146 PolarHBondContact OE2-NH2 2.82Å; S142-R146 CarbonylContact O-C 3.57Å; S142-R146 WeakPolarHBondContact O-CA 3.26Å; S142-R146 WeakPolarHBondContact O-CB 3.2Å; S142-R146 PolarHBondContact O-N 3.41Å
147	G	75.2	Confident	81.2	Confident	12 Å²	12	41.5 Å²	41.5	12%	0.124	21%	0.211	C	C	.	.			trans	-70	158.5	176.3	0	0	0	0	0	112.7	S142 I143 E151 K152	S142-G147 PolarHBondContact O-N 3.12Å; I143-G147 WeakPolarHBondContact O-CA 3.41Å; I143-G147 PolarHBondContact O-N 3.03Å; G147-E151 WeakPolarHBondContact CA-OE2 3.38Å; G147-K152 WeakPolarHBondContact O-CE 3.4Å
148	T	84.4	Confident	81.5	Confident	75 Å²	75	43.3 Å²	43.3	46%	0.46	22%	0.222	S	C	.	.			trans	-65.8	161.2	168.6	61.6	0	0	0	0	110.8	Q150 E151 K152	T148-Q150 PolarHBondContact O-N 3.44Å; T148-E151 WeakPolarHBondContact CB-OE2 3.16Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.3Å; T148-E151 PolarHBondContact N-OE2 2.98Å; T148-E151 PolarHBondContact O-N 3.05Å; T148-E151 WeakPolarHBondContact OG1-CG 3.37Å; T148-E151 PolarHBondContact OG1-N 3.2Å; T148-E151 PolarHBondContact OG1-OE2 3.1Å; T148-K152 WeakPolarHBondContact O-CG 3.37Å; T148-K152 PolarHBondContact O-N 2.93Å
149	V	80.6	Confident	81.7	Confident	88 Å²	88	43.7 Å²	43.7	53%	0.533	22%	0.224	S	C	.	.	H	α-helix	trans	-54.7	-39.9	175.4	178	0	0	0	0	111	K152 L153 M232	V149-K152 PolarHBondContact O-N 2.97Å; V149-L153 HydrophobicContact CG1-CD1 4.11Å; V149-L153 HydrophobicContact CG1-CG 4.37Å; V149-L153 VanDerWaalsContact O-CG 3.3Å; V149-L153 WeakPolarHBondContact O-CG 3.05Å; V149-L153 PolarHBondContact O-N 3.04Å; V149-M232 HydrophobicContact CG1-CE 3.94Å
150	Q	83.3	Confident	81.8	Confident	110 Å²	110	41.3 Å²	41.3	51%	0.514	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-45.6	178.9	-172.3	174.8	-6.7	0	0	112.4	T148 K152 L153 I154	T148-Q150 PolarHBondContact O-N 3.44Å; Q150-K152 VanDerWaalsContact C-N 3.28Å; Q150-K152 PolarHBondContact O-N 3.08Å; Q150-L153 PolarHBondContact O-N 2.86Å; Q150-I154 HydrophobicContact CG-CD1 4.23Å; Q150-I154 VanDerWaalsContact O-CG1 3.29Å; Q150-I154 WeakPolarHBondContact O-CG1 3.28Å; Q150-I154 PolarHBondContact O-N 3.38Å
151	E	83.6	Confident	82.2	Confident	55 Å²	55	41.3 Å²	41.3	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-37.5	176.4	-69.6	163.1	125.8	0	0	111.7	R73 I143 G147 T148 I154 W155	R73-E151 IonicContact CZ-OE1 2.52Å; R73-E151 IonicContact CZ-OE2 2.8Å; R73-E151 IonicContact NH1-OE1 2.81Å; R73-E151 PolarHBondContact NH1-OE1 2.79Å; R73-E151 IonicContact NH1-OE2 3.42Å; R73-E151 PolarHBondContact NH1-OE2 2.93Å; R73-E151 VanDerWaalsContact NH2-CD 3.34Å; R73-E151 IonicContact NH2-OE1 3.84Å; R73-E151 PolarHBondContact NH2-OE1 3.5Å; R73-E151 IonicContact NH2-OE2 3.55Å; R73-E151 PolarHBondContact NH2-OE2 3.44Å; R73-E151 VanDerWaalsContact NH2-OE2 3.1Å; I143-E151 HydrophobicContact CG2-CB 3.88Å; I143-E151 WeakPolarHBondContact CG2-O 3.18Å; G147-E151 WeakPolarHBondContact CA-OE2 3.38Å; T148-E151 WeakPolarHBondContact CB-OE2 3.16Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.3Å; T148-E151 PolarHBondContact N-OE2 2.98Å; T148-E151 PolarHBondContact O-N 3.05Å; T148-E151 WeakPolarHBondContact OG1-CG 3.37Å; T148-E151 PolarHBondContact OG1-N 3.2Å; T148-E151 PolarHBondContact OG1-OE2 3.1Å; E151-I154 PolarHBondContact O-N 2.88Å; E151-W155 WeakPolarHBondContact O-CB 3.41Å; E151-W155 PolarHBondContact O-N 2.63Å
152	K	81.8	Confident	82.6	Confident	59 Å²	59	42.4 Å²	42.4	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-66	-41.7	175	-65.8	-177.1	-168	-150.6	0	112.2	L144 G147 T148 V149 Q150 I154 W155 A156	L144-K152 VanDerWaalsContact O-CE 3.24Å; L144-K152 WeakPolarHBondContact O-CE 3.08Å; L144-K152 PolarHBondContact O-NZ 3.26Å; G147-K152 WeakPolarHBondContact O-CE 3.4Å; T148-K152 WeakPolarHBondContact O-CG 3.37Å; T148-K152 PolarHBondContact O-N 2.93Å; V149-K152 PolarHBondContact O-N 2.97Å; Q150-K152 VanDerWaalsContact C-N 3.28Å; Q150-K152 PolarHBondContact O-N 3.08Å; K152-I154 PolarHBondContact O-N 3.5Å; K152-W155 PolarHBondContact O-N 2.88Å; K152-A156 WeakPolarHBondContact O-CB 3.48Å; K152-A156 PolarHBondContact O-N 3.36Å
153	L	83.5	Confident	82.7	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-39.7	175.1	-71.4	173.5	0	0	0	112.1	V149 Q150 W155 A156 F157 F221 I222 C225 Q226	V149-L153 HydrophobicContact CG1-CD1 4.11Å; V149-L153 HydrophobicContact CG1-CG 4.37Å; V149-L153 VanDerWaalsContact O-CG 3.3Å; V149-L153 WeakPolarHBondContact O-CG 3.05Å; V149-L153 PolarHBondContact O-N 3.04Å; Q150-L153 PolarHBondContact O-N 2.86Å; L153-W155 VanDerWaalsContact C-N 3.34Å; L153-A156 PolarHBondContact O-N 2.95Å; L153-F157 WeakPolarHBondContact O-CB 3.34Å; L153-F157 PolarHBondContact O-N 3.41Å; L153-F221 HydrophobicContact CB-CE1 4.5Å; L153-F221 HydrophobicContact CD2-CE1 4.28Å; L153-F221 WeakPolarHBondContact O-CE1 3.2Å; L153-I222 HydrophobicContact CB-CG1 4.27Å; L153-I222 HydrophobicContact CD1-CG2 4.39Å; L153-C225 HydrophobicContact CD1-CB 4.14Å; L153-C225 HydrophobicContact CD2-CB 3.69Å; L153-Q226 HydrophobicContact CD1-CG 4.48Å
154	I	85.8	Confident	83	Confident	58 Å²	58	47.4 Å²	47.4	30%	0.297	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-43.8	174.3	-66.1	166.4	0	0	0	110.2	Q150 E151 K152 A156 F157 N158 I218 I222	Q150-I154 HydrophobicContact CG-CD1 4.23Å; Q150-I154 VanDerWaalsContact O-CG1 3.29Å; Q150-I154 WeakPolarHBondContact O-CG1 3.28Å; Q150-I154 PolarHBondContact O-N 3.38Å; E151-I154 PolarHBondContact O-N 2.88Å; K152-I154 PolarHBondContact O-N 3.5Å; I154-A156 VanDerWaalsContact C-N 3.34Å; I154-A156 PolarHBondContact O-N 3.5Å; I154-F157 WeakPolarHBondContact O-CB 3.31Å; I154-F157 PolarHBondContact O-N 2.92Å; I154-N158 PolarHBondContact O-N 3.02Å; I154-I218 HydrophobicContact CG1-CD1 4.16Å; I154-I218 HydrophobicContact CG2-CD1 4.24Å; I154-I222 HydrophobicContact CG1-CD1 4.1Å
155	W	83.8	Confident	83.6	Confident	16 Å²	16	49.1 Å²	49.1	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-40.4	177.4	-170.4	93.2	0	0	0	111.7	L120 A123 F124 I143 L144 E151 K152 L153 N158 L159 L242	L120-W155 HydrophobicContact CD1-CH2 3.37Å; L120-W155 HydrophobicContact CD1-CZ2 3.79Å; A123-W155 HydrophobicContact CB-CZ2 4.39Å; F124-W155 HydrophobicContact CD2-CZ2 4.44Å; F124-W155 AromaticContact CE2-CZ2 3.95Å; F124-W155 HydrophobicContact CE2-CZ2 3.95Å; F124-W155 HydrophobicContact CZ-CZ2 4Å; I143-W155 HydrophobicContact CG2-CB 3.96Å; I143-W155 HydrophobicContact CG2-CG 4.37Å; L144-W155 HydrophobicContact CD1-CH2 4.05Å; L144-W155 HydrophobicContact CD1-CZ2 3.82Å; L144-W155 HydrophobicContact CD2-CD2 3.73Å; L144-W155 HydrophobicContact CD2-CE3 3.53Å; L144-W155 HydrophobicContact CD2-CG 4.44Å; L144-W155 HydrophobicContact CD2-CH2 3.96Å; L144-W155 HydrophobicContact CD2-CZ2 4.18Å; L144-W155 HydrophobicContact CD2-CZ3 3.67Å; L144-W155 HydrophobicContact CG-CD2 4.25Å; L144-W155 HydrophobicContact CG-CE3 4.48Å; L144-W155 HydrophobicContact CG-CH2 4.5Å; L144-W155 HydrophobicContact CG-CZ2 4.3Å; E151-W155 WeakPolarHBondContact O-CB 3.41Å; E151-W155 PolarHBondContact O-N 2.63Å; K152-W155 PolarHBondContact O-N 2.88Å; L153-W155 VanDerWaalsContact C-N 3.34Å; W155-N158 PolarHBondContact O-N 3.34Å; W155-L159 HydrophobicContact CH2-CD2 4.46Å; W155-L159 HydrophobicContact CZ3-CB 4.42Å; W155-L159 HydrophobicContact CZ3-CD2 4.08Å; W155-L159 PolarHBondContact O-N 2.64Å; W155-L242 HydrophobicContact CH2-CD1 3.86Å; W155-L242 HydrophobicContact CH2-CD2 4.49Å; W155-L242 HydrophobicContact CZ3-CD1 3.51Å
156	A	83.9	Confident	84.3	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-42.6	173	0	0	0	0	0	111.3	K152 L153 I154 N158 L159 Y160 F221 M235	K152-A156 WeakPolarHBondContact O-CB 3.48Å; K152-A156 PolarHBondContact O-N 3.36Å; L153-A156 PolarHBondContact O-N 2.95Å; I154-A156 VanDerWaalsContact C-N 3.34Å; I154-A156 PolarHBondContact O-N 3.5Å; A156-N158 VanDerWaalsContact C-N 3.31Å; A156-N158 PolarHBondContact O-N 3.31Å; A156-L159 WeakPolarHBondContact O-CB 3.26Å; A156-L159 PolarHBondContact O-N 2.82Å; A156-Y160 VanDerWaalsContact O-CD2 3.25Å; A156-Y160 WeakPolarHBondContact O-CD2 3.47Å; A156-Y160 PolarHBondContact O-N 3.26Å; A156-Y160 VanDerWaalsContact O-N 3.08Å; A156-F221 HydrophobicContact CB-CE1 4.44Å; A156-F221 HydrophobicContact CB-CZ 4.38Å; A156-M235 HydrophobicContact CB-CE 4.46Å
157	F	86.5	Confident	85	Confident	4 Å²	4	47 Å²	47	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-55.5	-48.5	173.8	-179.3	-86.9	0	0	0	110.9	L153 I154 L159 Y160 D161 G166 I168 I218 F221	L153-F157 WeakPolarHBondContact O-CB 3.34Å; L153-F157 PolarHBondContact O-N 3.41Å; I154-F157 WeakPolarHBondContact O-CB 3.31Å; I154-F157 PolarHBondContact O-N 2.92Å; F157-L159 PolarHBondContact O-N 3.3Å; F157-Y160 PolarHBondContact O-N 3.47Å; F157-D161 HydrophobicContact CD1-CB 4.43Å; F157-D161 HydrophobicContact CE1-CB 4.07Å; F157-D161 WeakPolarHBondContact O-CB 3.47Å; F157-D161 PolarHBondContact O-N 2.77Å; F157-G166 WeakPolarHBondContact CZ-O 3.34Å; F157-I168 HydrophobicContact CD2-CD1 3.32Å; F157-I168 HydrophobicContact CD2-CG1 4.04Å; F157-I168 HydrophobicContact CE2-CD1 3.37Å; F157-I168 HydrophobicContact CE2-CG1 3.61Å; F157-I168 HydrophobicContact CG-CD1 4.09Å; F157-I168 HydrophobicContact CZ-CD1 4.15Å; F157-I168 HydrophobicContact CZ-CG1 3.93Å; F157-I218 HydrophobicContact CD1-CB 4.35Å; F157-I218 HydrophobicContact CD1-CD1 4.21Å; F157-I218 HydrophobicContact CD1-CG1 4.28Å; F157-I218 HydrophobicContact CD2-CB 4.2Å; F157-I218 HydrophobicContact CD2-CG1 4.28Å; F157-I218 HydrophobicContact CE1-CB 4.25Å; F157-I218 HydrophobicContact CE2-CB 4.09Å; F157-I218 HydrophobicContact CG-CB 4.33Å; F157-I218 HydrophobicContact CG-CD1 4.39Å; F157-I218 HydrophobicContact CG-CG1 4.09Å; F157-I218 HydrophobicContact CZ-CB 4.13Å; F157-F221 HydrophobicContact CB-CD1 4.04Å; F157-F221 HydrophobicContact CB-CE1 4.14Å; F157-F221 HydrophobicContact CD2-CB 3.76Å; F157-F221 HydrophobicContact CD2-CD1 4.09Å; F157-F221 HydrophobicContact CD2-CD2 4.35Å; F157-F221 AromaticContact CD2-CG 3.82Å; F157-F221 HydrophobicContact CD2-CG 3.82Å; F157-F221 HydrophobicContact CE2-CB 4.24Å
158	N	85.7	Confident	85.8	Confident	58 Å²	58	46.5 Å²	46.5	31%	0.31	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-29.1	176.9	-68.8	-14.1	0	0	0	112.9	I154 W155 A156 D161 K164	I154-N158 PolarHBondContact O-N 3.02Å; W155-N158 PolarHBondContact O-N 3.34Å; A156-N158 VanDerWaalsContact C-N 3.31Å; A156-N158 PolarHBondContact O-N 3.31Å; N158-D161 VanDerWaalsContact O-O 3.1Å; N158-K164 PolarHBondContact O-NZ 2.85Å
159	L	85.6	Confident	86.1	Confident	8 Å²	8	44.5 Å²	44.5	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-70.8	-35.6	173.9	-178.7	66.8	0	0	0	111.7	F119 L120 A123 W155 A156 F157 I176 L242	F119-L159 HydrophobicContact CB-CD1 4.23Å; L120-L159 HydrophobicContact CB-CD1 4.4Å; L120-L159 HydrophobicContact CD1-CD1 4.19Å; A123-L159 HydrophobicContact CB-CB 4.38Å; A123-L159 HydrophobicContact CB-CD1 3.89Å; W155-L159 HydrophobicContact CH2-CD2 4.46Å; W155-L159 HydrophobicContact CZ3-CB 4.42Å; W155-L159 HydrophobicContact CZ3-CD2 4.08Å; W155-L159 PolarHBondContact O-N 2.64Å; A156-L159 WeakPolarHBondContact O-CB 3.26Å; A156-L159 PolarHBondContact O-N 2.82Å; F157-L159 PolarHBondContact O-N 3.3Å; L159-I176 WeakPolarHBondContact O-CD1 3.4Å; L159-L242 HydrophobicContact CD2-CD1 4.15Å
160	Y	85.7	Confident	86.5	Confident	18 Å²	18	44.6 Å²	44.6	7%	0.071	22%	0.221	C	C	.	.	H	α-helix	trans	-79.9	-32.1	179.6	-82.8	-107	0	0	0	113.3	A156 F157 I162 I168 M173 I176 M235	A156-Y160 VanDerWaalsContact O-CD2 3.25Å; A156-Y160 WeakPolarHBondContact O-CD2 3.47Å; A156-Y160 PolarHBondContact O-N 3.26Å; A156-Y160 VanDerWaalsContact O-N 3.08Å; F157-Y160 PolarHBondContact O-N 3.47Å; Y160-I162 PolarHBondContact O-N 3.09Å; Y160-I168 HydrophobicContact CG-CD1 4.46Å; Y160-M173 HydrophobicContact CD1-CG 4.34Å; Y160-M173 HydrophobicContact CE1-CG 4.32Å; Y160-I176 HydrophobicContact CD1-CB 4.34Å; Y160-I176 HydrophobicContact CD1-CG1 4.37Å; Y160-I176 HydrophobicContact CD1-CG2 4.13Å; Y160-I176 HydrophobicContact CE1-CB 4.38Å; Y160-I176 HydrophobicContact CE1-CG2 3.83Å; Y160-I176 HydrophobicContact CE2-CG2 4.31Å; Y160-M235 HydrophobicContact CD2-CE 4.23Å; Y160-M235 HydrophobicContact CE2-CE 3.42Å; Y160-M235 VanDerWaalsContact CE2-CE 3.42Å; Y160-M235 HydrophobicContact CE2-SD 4.3Å; Y160-M235 PolarHBondContact OH-SD 3.39Å
161	D	88.6	Confident	86.8	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.027	23%	0.231	C	C	.	.			trans	-77.2	94.2	171.9	178.4	3.4	0	0	0	109.3	F157 N158 N163 K164 D165 G166 I168	F157-D161 HydrophobicContact CD1-CB 4.43Å; F157-D161 HydrophobicContact CE1-CB 4.07Å; F157-D161 WeakPolarHBondContact O-CB 3.47Å; F157-D161 PolarHBondContact O-N 2.77Å; N158-D161 VanDerWaalsContact O-O 3.1Å; D161-N163 PolarHBondContact OD1-OD1 2.93Å; D161-K164 WeakPolarHBondContact O-CD 3.31Å; D161-K164 PolarHBondContact O-NZ 3.48Å; D161-K164 WeakPolarHBondContact OD1-CA 3.46Å; D161-K164 PolarHBondContact OD1-N 2.86Å; D161-K164 WeakPolarHBondContact OD2-CA 3.3Å; D161-D165 PolarHBondContact OD1-N 2.9Å; D161-G166 WeakPolarHBondContact OD2-CA 3.35Å; D161-G166 PolarHBondContact OD2-N 3.01Å; D161-I168 HydrophobicContact CB-CG1 4.23Å
162	I	86.4	Confident	87.1	Confident	38 Å²	38	44.6 Å²	44.6	20%	0.195	22%	0.221	C	C	.	.	S	Bend	trans	-76.1	-42.6	-173.3	-63.3	171.8	0	0	0	109.6	F119 N122 Y160 E172 D175 I176	F119-I162 HydrophobicContact CD1-CD1 4.11Å; F119-I162 HydrophobicContact CD1-CG1 4.08Å; F119-I162 HydrophobicContact CD1-CG2 4.14Å; F119-I162 HydrophobicContact CE1-CD1 3.59Å; F119-I162 HydrophobicContact CE1-CG1 4.03Å; F119-I162 HydrophobicContact CE1-CG2 3.93Å; F119-I162 HydrophobicContact CE2-CD1 4.32Å; F119-I162 HydrophobicContact CZ-CD1 3.7Å; N122-I162 PolarHBondContact ND2-O 3.22Å; Y160-I162 PolarHBondContact O-N 3.09Å; I162-E172 HydrophobicContact CB-CG 4.13Å; I162-E172 HydrophobicContact CD1-CB 3.97Å; I162-E172 HydrophobicContact CD1-CG 4.11Å; I162-E172 HydrophobicContact CG1-CB 4.23Å; I162-E172 HydrophobicContact CG1-CG 4.27Å; I162-E172 PolarHBondContact N-OE1 2.87Å; I162-D175 HydrophobicContact CD1-CB 4.14Å; I162-I176 HydrophobicContact CD1-CD1 4.38Å; I162-I176 HydrophobicContact CD1-CG1 4.23Å; I162-I176 HydrophobicContact CG1-CD1 4.3Å; I162-I176 HydrophobicContact CG1-CG1 4.42Å
163	N	85.9	Confident	87.3	Confident	90 Å²	90	42 Å²	42	48%	0.481	21%	0.211	S	C	.	.	S	Bend	trans	-84.8	-8.3	-175.7	75.4	5.5	0	0	0	113.8	D161 D165 E172	D161-N163 PolarHBondContact OD1-OD1 2.93Å; N163-D165 VanDerWaalsContact C-N 3.3Å; N163-D165 VanDerWaalsContact ND2-CG 3.34Å; N163-D165 PolarHBondContact ND2-OD2 2.78Å; N163-D165 PolarHBondContact O-N 3.47Å; N163-D165 VanDerWaalsContact OD1-CB 3.31Å; N163-D165 WeakPolarHBondContact OD1-CB 3.44Å; N163-D165 PolarHBondContact OD1-N 3.3Å; N163-D165 PolarHBondContact OD1-OD1 3.38Å; N163-D165 PolarHBondContact OD1-OD2 3.42Å; N163-E172 VanDerWaalsContact CG-OE1 3.23Å; N163-E172 PolarHBondContact N-OE1 3.2Å; N163-E172 VanDerWaalsContact N-OE1 3.09Å; N163-E172 PolarHBondContact OD1-OE1 3.01Å
164	K	85.8	Confident	87.4	Confident	62 Å²	62	42.9 Å²	42.9	27%	0.27	22%	0.215	S	C	.	.			trans	63.8	29.3	179.2	-51.7	-64.2	-179.9	-177.8	0	113.9	N122 N158 D161 G166	N122-K164 WeakPolarHBondContact ND2-CE 3.21Å; N158-K164 PolarHBondContact O-NZ 2.85Å; D161-K164 WeakPolarHBondContact O-CD 3.31Å; D161-K164 PolarHBondContact O-NZ 3.48Å; D161-K164 WeakPolarHBondContact OD1-CA 3.46Å; D161-K164 PolarHBondContact OD1-N 2.86Å; D161-K164 WeakPolarHBondContact OD2-CA 3.3Å; K164-G166 VanDerWaalsContact C-N 3.26Å
165	D	87.9	Confident	87.5	Confident	80 Å²	80	43.3 Å²	43.3	43%	0.428	22%	0.218	S	C	.	.	S	Bend	trans	-83.5	-4.2	178.4	73.7	14.5	0	0	0	113.2	D161 N163 Y167	D161-D165 PolarHBondContact OD1-N 2.9Å; N163-D165 VanDerWaalsContact C-N 3.3Å; N163-D165 VanDerWaalsContact ND2-CG 3.34Å; N163-D165 PolarHBondContact ND2-OD2 2.78Å; N163-D165 PolarHBondContact O-N 3.47Å; N163-D165 VanDerWaalsContact OD1-CB 3.31Å; N163-D165 WeakPolarHBondContact OD1-CB 3.44Å; N163-D165 PolarHBondContact OD1-N 3.3Å; N163-D165 PolarHBondContact OD1-OD1 3.38Å; N163-D165 PolarHBondContact OD1-OD2 3.42Å; D165-Y167 VanDerWaalsContact O-CD2 3.27Å; D165-Y167 WeakPolarHBondContact O-CD2 3.49Å; D165-Y167 WeakPolarHBondContact O-CE2 3.26Å; D165-Y167 WeakPolarHBondContact OD1-CA 3.31Å; D165-Y167 VanDerWaalsContact OD1-CB 3.32Å; D165-Y167 WeakPolarHBondContact OD1-CB 3.28Å; D165-Y167 PolarHBondContact OD1-N 2.91Å; D165-Y167 VanDerWaalsContact OD1-O 3.08Å
166	G	88.8	Confident	87.5	Confident	33 Å²	33	42.6 Å²	42.6	34%	0.34	22%	0.215	S	C	.	.	S	Bend	trans	86.9	8.7	-179.2	0	0	0	0	0	113.8	F157 D161 K164	F157-G166 WeakPolarHBondContact CZ-O 3.34Å; D161-G166 WeakPolarHBondContact OD2-CA 3.35Å; D161-G166 PolarHBondContact OD2-N 3.01Å; K164-G166 VanDerWaalsContact C-N 3.26Å
167	Y	92.6	Very high	87.3	Confident	109 Å²	109	43 Å²	43	43%	0.427	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.9	179.2	-56.4	-87.6	0	0	0	110.1	D165 V215 T217	D165-Y167 VanDerWaalsContact O-CD2 3.27Å; D165-Y167 WeakPolarHBondContact O-CD2 3.49Å; D165-Y167 WeakPolarHBondContact O-CE2 3.26Å; D165-Y167 WeakPolarHBondContact OD1-CA 3.31Å; D165-Y167 VanDerWaalsContact OD1-CB 3.32Å; D165-Y167 WeakPolarHBondContact OD1-CB 3.28Å; D165-Y167 PolarHBondContact OD1-N 2.91Å; D165-Y167 VanDerWaalsContact OD1-O 3.08Å; Y167-V215 HydrophobicContact CD1-CB 4.23Å; Y167-V215 HydrophobicContact CD1-CG2 3.79Å; Y167-V215 HydrophobicContact CE1-CG2 4.47Å; Y167-V215 HydrophobicContact CG-CG2 4.46Å; Y167-T217 HydrophobicContact CD1-CG2 3.82Å; Y167-T217 HydrophobicContact CE1-CG2 3.74Å
168	I	90.9	Very high	87.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.4	172.1	-60.9	164.4	0	0	0	108.3	F157 Y160 D161 M173 V216 F221	F157-I168 HydrophobicContact CD2-CD1 3.32Å; F157-I168 HydrophobicContact CD2-CG1 4.04Å; F157-I168 HydrophobicContact CE2-CD1 3.37Å; F157-I168 HydrophobicContact CE2-CG1 3.61Å; F157-I168 HydrophobicContact CG-CD1 4.09Å; F157-I168 HydrophobicContact CZ-CD1 4.15Å; F157-I168 HydrophobicContact CZ-CG1 3.93Å; Y160-I168 HydrophobicContact CG-CD1 4.46Å; D161-I168 HydrophobicContact CB-CG1 4.23Å; I168-M173 HydrophobicContact CG2-CB 4.25Å; I168-M173 HydrophobicContact CG2-CE 4.12Å; I168-V216 HydrophobicContact CB-CB 4.23Å; I168-V216 PolarHBondContact N-O 3.17Å; I168-V216 PolarHBondContact O-N 2.7Å; I168-F221 HydrophobicContact CD1-CD2 4.06Å; I168-F221 HydrophobicContact CD1-CE2 4.33Å
169	T	91.6	Very high	86.9	Confident	34 Å²	34	44 Å²	44	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	160.1	171.9	66.8	0	0	0	0	111.3	E171 E172 M173 V215	T169-E171 PolarHBondContact O-N 3.22Å; T169-E172 WeakPolarHBondContact CB-OE2 3.4Å; T169-E172 PolarHBondContact N-OE2 3.44Å; T169-E172 PolarHBondContact O-N 3.38Å; T169-E172 VanDerWaalsContact OG1-CG 3.25Å; T169-E172 WeakPolarHBondContact OG1-CG 3.36Å; T169-E172 PolarHBondContact OG1-N 2.52Å; T169-E172 PolarHBondContact OG1-OE2 2.78Å; T169-M173 PolarHBondContact O-N 2.98Å; T169-V215 HydrophobicContact CG2-CG1 4.38Å
170	K	88.9	Confident	86.5	Confident	89 Å²	89	43.8 Å²	43.8	39%	0.387	22%	0.217	S	C	.	.	H	α-helix	trans	-61.4	-30.5	175.2	-172.4	-179.9	179.5	179.6	0	112.7	L174 V201 E202 F205	K170-L174 WeakPolarHBondContact O-CB 3.18Å; K170-L174 PolarHBondContact O-N 2.93Å; K170-L174 VanDerWaalsContact O-N 3.11Å; K170-V201 HydrophobicContact CG-CG1 3.95Å; K170-E202 WeakPolarHBondContact CE-OE2 3.46Å; K170-E202 IonicContact NZ-OE1 2.98Å; K170-E202 IonicContact NZ-OE2 3.5Å; K170-E202 PolarHBondContact NZ-OE2 3.45Å; K170-F205 HydrophobicContact CB-CD2 3.92Å; K170-F205 HydrophobicContact CB-CE2 3.87Å; K170-F205 HydrophobicContact CB-CG 4.29Å; K170-F205 HydrophobicContact CB-CZ 4.18Å; K170-F205 HydrophobicContact CG-CD2 4.3Å; K170-F205 HydrophobicContact CG-CG 4.35Å; K170-F205 VanDerWaalsContact N-CE2 3.26Å
171	E	89.6	Confident	85.8	Confident	151 Å²	151	45.3 Å²	45.3	71%	0.706	22%	0.223	S	C	*	.	H	α-helix	trans	-69	-47	178.6	-66.3	177.1	179.8	0	0	110.4	T169 M173 L174 D175	T169-E171 PolarHBondContact O-N 3.22Å; E171-M173 PolarHBondContact O-N 2.88Å; E171-L174 WeakPolarHBondContact O-CB 3.25Å; E171-L174 PolarHBondContact O-N 2.81Å; E171-L174 VanDerWaalsContact O-N 3.13Å; E171-D175 PolarHBondContact O-N 3.39Å
172	E	89.8	Confident	85.3	Confident	14 Å²	14	49 Å²	49	7%	0.065	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-43.5	177.2	-67.9	167	126.1	0	0	112.1	I162 N163 T169 L174 D175 I176	I162-E172 HydrophobicContact CB-CG 4.13Å; I162-E172 HydrophobicContact CD1-CB 3.97Å; I162-E172 HydrophobicContact CD1-CG 4.11Å; I162-E172 HydrophobicContact CG1-CB 4.23Å; I162-E172 HydrophobicContact CG1-CG 4.27Å; I162-E172 PolarHBondContact N-OE1 2.87Å; N163-E172 VanDerWaalsContact CG-OE1 3.23Å; N163-E172 PolarHBondContact N-OE1 3.2Å; N163-E172 VanDerWaalsContact N-OE1 3.09Å; N163-E172 PolarHBondContact OD1-OE1 3.01Å; T169-E172 WeakPolarHBondContact CB-OE2 3.4Å; T169-E172 PolarHBondContact N-OE2 3.44Å; T169-E172 PolarHBondContact O-N 3.38Å; T169-E172 VanDerWaalsContact OG1-CG 3.25Å; T169-E172 WeakPolarHBondContact OG1-CG 3.36Å; T169-E172 PolarHBondContact OG1-N 2.52Å; T169-E172 PolarHBondContact OG1-OE2 2.78Å; E172-L174 PolarHBondContact O-N 3.23Å; E172-D175 PolarHBondContact O-N 2.91Å; E172-D175 VanDerWaalsContact O-N 3.11Å; E172-I176 WeakPolarHBondContact O-CG1 3.37Å; E172-I176 PolarHBondContact O-N 3.05Å
173	M	86.7	Confident	84.5	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-36.2	175.2	-170.9	177.3	-73.3	0	0	111.9	Y160 I168 T169 E171 M177 V201 F204 F205 M208	Y160-M173 HydrophobicContact CD1-CG 4.34Å; Y160-M173 HydrophobicContact CE1-CG 4.32Å; I168-M173 HydrophobicContact CG2-CB 4.25Å; I168-M173 HydrophobicContact CG2-CE 4.12Å; T169-M173 PolarHBondContact O-N 2.98Å; E171-M173 PolarHBondContact O-N 2.88Å; M173-M177 VanDerWaalsContact O-CB 3.28Å; M173-M177 WeakPolarHBondContact O-CB 3.37Å; M173-M177 PolarHBondContact O-N 3Å; M173-M177 VanDerWaalsContact O-N 3.08Å; M173-V201 HydrophobicContact CB-CG1 4.14Å; M173-V201 HydrophobicContact CG-CG1 4.05Å; M173-V201 HydrophobicContact CG-CG2 4.29Å; M173-V201 HydrophobicContact SD-CG1 4.08Å; M173-F204 HydrophobicContact SD-CB 4.1Å; M173-F205 HydrophobicContact CE-CD2 4.17Å; M173-F205 HydrophobicContact SD-CB 4.39Å; M173-F205 HydrophobicContact SD-CD2 4.19Å; M173-M208 HydrophobicContact CE-SD 3.7Å
174	L	85.6	Confident	83.6	Confident	25 Å²	25	46.8 Å²	46.8	13%	0.131	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-39.5	176.1	-179.8	66.6	0	0	0	111.9	K170 E171 E172 M177 K178 P197 R198 V201	K170-L174 WeakPolarHBondContact O-CB 3.18Å; K170-L174 PolarHBondContact O-N 2.93Å; K170-L174 VanDerWaalsContact O-N 3.11Å; E171-L174 WeakPolarHBondContact O-CB 3.25Å; E171-L174 PolarHBondContact O-N 2.81Å; E171-L174 VanDerWaalsContact O-N 3.13Å; E172-L174 PolarHBondContact O-N 3.23Å; L174-M177 PolarHBondContact O-N 2.84Å; L174-K178 WeakPolarHBondContact O-CG 3.47Å; L174-K178 PolarHBondContact O-N 2.86Å; L174-P197 HydrophobicContact CD1-CB 4.33Å; L174-R198 HydrophobicContact CD1-CG 3.82Å; L174-R198 HydrophobicContact CD2-CG 4.32Å; L174-V201 HydrophobicContact CB-CG1 4.44Å; L174-V201 HydrophobicContact CB-CG2 4.36Å; L174-V201 HydrophobicContact CD1-CG2 4.09Å
175	D	87.6	Confident	82.5	Confident	66 Å²	66	44.7 Å²	44.7	35%	0.353	23%	0.226	S	C	.	.	H	α-helix	trans	-70.9	-38.8	-179.4	-71.1	-21.6	0	0	0	112.3	F119 I162 E171 E172 M177 K178 A179	F119-D175 HydrophobicContact CZ-CB 4.24Å; I162-D175 HydrophobicContact CD1-CB 4.14Å; E171-D175 PolarHBondContact O-N 3.39Å; E172-D175 PolarHBondContact O-N 2.91Å; E172-D175 VanDerWaalsContact O-N 3.11Å; D175-M177 VanDerWaalsContact C-N 3.35Å; D175-K178 PolarHBondContact O-N 2.98Å; D175-K178 IonicContact OD1-NZ 3.4Å; D175-K178 PolarHBondContact OD1-NZ 3.23Å; D175-A179 WeakPolarHBondContact O-CB 3.43Å; D175-A179 PolarHBondContact O-N 3.18Å
176	I	83.6	Confident	80.7	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-47.8	169.7	-65.7	-73.5	0	0	0	110.7	F119 L159 Y160 I162 E172 K178 A179 I180	F119-I176 HydrophobicContact CB-CD1 3.99Å; F119-I176 HydrophobicContact CD2-CD1 3.49Å; F119-I176 VanDerWaalsContact CD2-CD1 3.49Å; F119-I176 HydrophobicContact CE2-CD1 4.04Å; F119-I176 HydrophobicContact CG-CD1 3.82Å; L159-I176 WeakPolarHBondContact O-CD1 3.4Å; Y160-I176 HydrophobicContact CD1-CB 4.34Å; Y160-I176 HydrophobicContact CD1-CG1 4.37Å; Y160-I176 HydrophobicContact CD1-CG2 4.13Å; Y160-I176 HydrophobicContact CE1-CB 4.38Å; Y160-I176 HydrophobicContact CE1-CG2 3.83Å; Y160-I176 HydrophobicContact CE2-CG2 4.31Å; I162-I176 HydrophobicContact CD1-CD1 4.38Å; I162-I176 HydrophobicContact CD1-CG1 4.23Å; I162-I176 HydrophobicContact CG1-CD1 4.3Å; I162-I176 HydrophobicContact CG1-CG1 4.42Å; E172-I176 WeakPolarHBondContact O-CG1 3.37Å; E172-I176 PolarHBondContact O-N 3.05Å; I176-K178 PolarHBondContact O-N 2.92Å; I176-A179 PolarHBondContact O-N 3.29Å; I176-I180 HydrophobicContact CG2-CD1 3.96Å; I176-I180 WeakPolarHBondContact O-CG1 3.34Å; I176-I180 PolarHBondContact O-N 2.88Å
177	M	80.1	Confident	78.5	Confident	12 Å²	12	52.7 Å²	52.7	6%	0.059	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-47	-180	-175.2	69.2	85.4	0	0	110.9	M173 L174 D175 A179 I180 Y181 P197 H200 V201 F238	M173-M177 VanDerWaalsContact O-CB 3.28Å; M173-M177 WeakPolarHBondContact O-CB 3.37Å; M173-M177 PolarHBondContact O-N 3Å; M173-M177 VanDerWaalsContact O-N 3.08Å; L174-M177 PolarHBondContact O-N 2.84Å; D175-M177 VanDerWaalsContact C-N 3.35Å; M177-A179 PolarHBondContact O-N 2.93Å; M177-I180 PolarHBondContact O-N 2.8Å; M177-Y181 HydrophobicContact CG-CD2 3.85Å; M177-Y181 HydrophobicContact CG-CE2 3.5Å; M177-Y181 WeakPolarHBondContact O-CD2 3.39Å; M177-Y181 PolarHBondContact O-N 3.13Å; M177-Y181 HydrophobicContact SD-CD2 4.22Å; M177-Y181 HydrophobicContact SD-CE2 3.57Å; M177-Y181 VanDerWaalsContact SD-CE2 3.57Å; M177-P197 HydrophobicContact CG-CB 3.96Å; M177-H200 HydrophobicContact CE-CB 4.06Å; M177-V201 HydrophobicContact CB-CG2 3.99Å; M177-V201 HydrophobicContact CE-CG2 4.38Å; M177-V201 HydrophobicContact CG-CG2 4.17Å; M177-F238 HydrophobicContact CE-CZ 4.41Å; M177-F238 HydrophobicContact SD-CZ 4.27Å
178	K	81.9	Confident	76.2	Confident	82 Å²	82	49 Å²	49	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-46	175.1	-73.5	177.1	-159.5	139.8	0	111.9	L174 D175 I176 I180 Y181 D182	L174-K178 WeakPolarHBondContact O-CG 3.47Å; L174-K178 PolarHBondContact O-N 2.86Å; D175-K178 PolarHBondContact O-N 2.98Å; D175-K178 IonicContact OD1-NZ 3.4Å; D175-K178 PolarHBondContact OD1-NZ 3.23Å; I176-K178 PolarHBondContact O-N 2.92Å; K178-I180 VanDerWaalsContact C-N 3.26Å; K178-I180 PolarHBondContact O-N 3.06Å; K178-Y181 WeakPolarHBondContact O-CA 3.14Å; K178-Y181 WeakPolarHBondContact O-CB 3.09Å; K178-Y181 PolarHBondContact O-N 3.04Å; K178-D182 PolarHBondContact O-N 3.11Å
179	A	81.9	Confident	73.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-37.1	-179.9	0	0	0	0	0	112.3	T115 Y116 F119 D175 I176 M177 M183	T115-A179 HydrophobicContact CG2-CB 3.88Å; Y116-A179 HydrophobicContact CD2-CB 4.27Å; F119-A179 HydrophobicContact CD2-CB 4.02Å; F119-A179 HydrophobicContact CE2-CB 3.75Å; D175-A179 WeakPolarHBondContact O-CB 3.43Å; D175-A179 PolarHBondContact O-N 3.18Å; I176-A179 PolarHBondContact O-N 3.29Å; M177-A179 PolarHBondContact O-N 2.93Å; A179-M183 VanDerWaalsContact O-CB 3.28Å; A179-M183 WeakPolarHBondContact O-CB 3.21Å; A179-M183 PolarHBondContact O-N 3.47Å
180	I	75.6	Confident	71.3	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-44	173.2	-65.3	166.3	0	0	0	110.9	Y116 I176 M177 K178 M183 M184 F238	Y116-I180 HydrophobicContact CD2-CG1 3.82Å; Y116-I180 HydrophobicContact CE2-CD1 4.17Å; Y116-I180 HydrophobicContact CE2-CG1 3.61Å; I176-I180 HydrophobicContact CG2-CD1 3.96Å; I176-I180 WeakPolarHBondContact O-CG1 3.34Å; I176-I180 PolarHBondContact O-N 2.88Å; M177-I180 PolarHBondContact O-N 2.8Å; K178-I180 VanDerWaalsContact C-N 3.26Å; K178-I180 PolarHBondContact O-N 3.06Å; I180-M183 PolarHBondContact O-N 3.31Å; I180-M184 HydrophobicContact CG2-CG 4.39Å; I180-M184 HydrophobicContact CG2-SD 3.98Å; I180-M184 VanDerWaalsContact O-CG 3.31Å; I180-M184 WeakPolarHBondContact O-CG 3.38Å; I180-M184 PolarHBondContact O-N 3.42Å; I180-F238 HydrophobicContact CD1-CB 4.34Å; I180-F238 HydrophobicContact CD1-CD1 3.76Å; I180-F238 HydrophobicContact CD1-CE1 4.28Å; I180-F238 HydrophobicContact CD1-CG 4.11Å; I180-F238 HydrophobicContact CG2-CD1 4.01Å; I180-F238 HydrophobicContact CG2-CE1 4.11Å
181	Y	72.8	Confident	68.9	Low	49 Å²	49	61.9 Å²	61.9	19%	0.192	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-44.2	176.4	-82.8	-71.8	0	0	0	112.4	M177 K178 M183 M184 G185 L192 P197 H200	M177-Y181 HydrophobicContact CG-CD2 3.85Å; M177-Y181 HydrophobicContact CG-CE2 3.5Å; M177-Y181 WeakPolarHBondContact O-CD2 3.39Å; M177-Y181 PolarHBondContact O-N 3.13Å; M177-Y181 HydrophobicContact SD-CD2 4.22Å; M177-Y181 HydrophobicContact SD-CE2 3.57Å; M177-Y181 VanDerWaalsContact SD-CE2 3.57Å; K178-Y181 WeakPolarHBondContact O-CA 3.14Å; K178-Y181 WeakPolarHBondContact O-CB 3.09Å; K178-Y181 PolarHBondContact O-N 3.04Å; Y181-M183 VanDerWaalsContact C-N 3.34Å; Y181-M184 PolarHBondContact O-N 3.31Å; Y181-G185 PolarHBondContact O-N 3.43Å; Y181-G185 VanDerWaalsContact O-N 3.12Å; Y181-L192 HydrophobicContact CE1-CB 4.29Å; Y181-L192 HydrophobicContact CE1-CD1 3.8Å; Y181-L192 WeakPolarHBondContact OH-CD1 3.23Å; Y181-P197 HydrophobicContact CD2-CB 4.1Å; Y181-P197 HydrophobicContact CD2-CG 3.9Å; Y181-P197 HydrophobicContact CE2-CB 3.8Å; Y181-P197 HydrophobicContact CE2-CG 3.75Å; Y181-H200 PolarHBondContact OH-ND1 2.97Å
182	D	76.4	Confident	66.8	Low	82 Å²	82	58 Å²	58	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-64.4	-40.3	178.7	-67.5	-24.4	0	0	0	111	G111 D112 K178 G185	G111-D182 WeakPolarHBondContact CA-O 3.32Å; D112-D182 PolarHBondContact N-O 2.87Å; D112-D182 CarbonylContact O-C 3.43Å; K178-D182 PolarHBondContact O-N 3.11Å; D182-G185 PolarHBondContact O-N 3.5Å
183	M	71.1	Confident	64.5	Low	2 Å²	2	65.2 Å²	65.2	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-66.4	-41.1	176.5	178.9	-178.8	61.2	0	0	112.9	Y104 F108 D112 A113 Y116 A179 I180 Y181 G185 V241	Y104-M183 HydrophobicContact CE1-SD 4.29Å; F108-M183 HydrophobicContact CB-CG 4.36Å; F108-M183 HydrophobicContact CD1-CG 3.74Å; F108-M183 HydrophobicContact CD1-SD 4.38Å; F108-M183 HydrophobicContact CD2-CG 3.99Å; F108-M183 HydrophobicContact CD2-SD 4.06Å; F108-M183 HydrophobicContact CE1-CG 3.96Å; F108-M183 HydrophobicContact CE1-SD 4.07Å; F108-M183 HydrophobicContact CE2-CG 4.21Å; F108-M183 HydrophobicContact CE2-SD 3.73Å; F108-M183 HydrophobicContact CG-CG 3.76Å; F108-M183 HydrophobicContact CG-SD 4.37Å; F108-M183 HydrophobicContact CZ-CE 4.48Å; F108-M183 HydrophobicContact CZ-CG 4.19Å; F108-M183 HydrophobicContact CZ-SD 3.73Å; D112-M183 WeakPolarHBondContact O-CA 3.22Å; D112-M183 PolarHBondContact O-N 3.02Å; A113-M183 HydrophobicContact CB-CB 4.45Å; A113-M183 HydrophobicContact CB-CG 3.92Å; A113-M183 HydrophobicContact CB-SD 4.4Å; Y116-M183 HydrophobicContact CD1-CE 3.95Å; Y116-M183 HydrophobicContact CD1-SD 3.58Å; Y116-M183 VanDerWaalsContact CD1-SD 3.58Å; Y116-M183 HydrophobicContact CE1-CE 4.11Å; Y116-M183 HydrophobicContact CE1-SD 4.16Å; Y116-M183 HydrophobicContact CG-CE 4.21Å; Y116-M183 HydrophobicContact CG-SD 4.05Å; A179-M183 VanDerWaalsContact O-CB 3.28Å; A179-M183 WeakPolarHBondContact O-CB 3.21Å; A179-M183 PolarHBondContact O-N 3.47Å; I180-M183 PolarHBondContact O-N 3.31Å; Y181-M183 VanDerWaalsContact C-N 3.34Å; M183-G185 PolarHBondContact O-N 3.24Å; M183-V241 HydrophobicContact CE-CG1 3.27Å; M183-V241 HydrophobicContact SD-CG1 4.47Å
184	M	66	Low	62.6	Low	80 Å²	80	74 Å²	74	39%	0.394	37%	0.367	S	S	.	.	H	α-helix	trans	-73.6	-15.9	177.8	-66.7	-177.6	82.9	0	0	112.7	I180 Y181 T188	I180-M184 HydrophobicContact CG2-CG 4.39Å; I180-M184 HydrophobicContact CG2-SD 3.98Å; I180-M184 VanDerWaalsContact O-CG 3.31Å; I180-M184 WeakPolarHBondContact O-CG 3.38Å; I180-M184 PolarHBondContact O-N 3.42Å; Y181-M184 PolarHBondContact O-N 3.31Å; M184-T188 HydrophobicContact CB-CG2 3.92Å; M184-T188 HydrophobicContact CE-CG2 3.68Å; M184-T188 HydrophobicContact SD-CG2 3.94Å
185	G	62.3	Low	60.7	Low	18 Å²	18	79.5 Å²	79.5	19%	0.186	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	62.1	-167	-179.2	0	0	0	0	0	113.4	Y181 D182 M183 C187	Y181-G185 PolarHBondContact O-N 3.43Å; Y181-G185 VanDerWaalsContact O-N 3.12Å; D182-G185 PolarHBondContact O-N 3.5Å; M183-G185 PolarHBondContact O-N 3.24Å; G185-C187 PolarHBondContact O-N 3.1Å
186	K	50.2	Low	59.5	Low	194 Å²	194	77.4 Å²	77.4	84%	0.843	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-70.2	10.2	-179.7	-66.2	-178.7	-179.7	176.2	0	114.4
187	C	44.2	Very low	58.5	Low	88 Å²	88	78.2 Å²	78.2	60%	0.595	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-99.1	4.6	-172.6	-71.2	0	0	0	0	114.6	G185 Y189	G185-C187 PolarHBondContact O-N 3.1Å; C187-Y189 PolarHBondContact O-N 3.47Å; C187-Y189 VanDerWaalsContact O-N 3.07Å
188	T	44.4	Very low	58.2	Low	31 Å²	31	86 Å²	86	19%	0.19	42%	0.416	C	S	.	.	S	Bend	trans	-70	105.6	162.6	57.3	0	0	0	0	107.9	M184 P190 V191	M184-T188 HydrophobicContact CB-CG2 3.92Å; M184-T188 HydrophobicContact CE-CG2 3.68Å; M184-T188 HydrophobicContact SD-CG2 3.94Å; T188-P190 CarbonylContact O-C 3.4Å; T188-V191 WeakPolarHBondContact O-CA 3.36Å; T188-V191 PolarHBondContact O-N 3.25Å; T188-V191 VanDerWaalsContact O-N 3.08Å
189	Y	33.5	Very low	57.8	Low	216 Å²	216	87.5 Å²	87.5	85%	0.847	42%	0.424	S	S	*	.	S	Bend	trans	-93.1	124.7	168.7	-120.5	-91.4	0	0	0	108.9	C187	C187-Y189 PolarHBondContact O-N 3.47Å; C187-Y189 VanDerWaalsContact O-N 3.07Å
190	P	44.4	Very low	57.4	Low	83 Å²	83	91.2 Å²	91.2	54%	0.539	44%	0.441	S	S	.	.	S	Bend	cis	-76.4	148.6	1.4	31.8	-32.5	0	0	0	112.3	T188 L192	T188-P190 CarbonylContact O-C 3.4Å; P190-L192 PolarHBondContact O-N 2.94Å
191	V	40	Very low	57.7	Low	95 Å²	95	91.1 Å²	91.1	58%	0.576	44%	0.441	S	S	*	.			trans	-55.3	103.6	171.4	175.7	0	0	0	0	107.7	T188 K193	T188-V191 WeakPolarHBondContact O-CA 3.36Å; T188-V191 PolarHBondContact O-N 3.25Å; T188-V191 VanDerWaalsContact O-N 3.08Å; V191-K193 PolarHBondContact O-N 2.83Å
192	L	45.2	Very low	58.2	Low	69 Å²	69	92 Å²	92	36%	0.361	45%	0.447	S	S	.	.			trans	-72.3	117	178.1	-73.5	172.1	0	0	0	106.9	Y181 P190 T196	Y181-L192 HydrophobicContact CE1-CB 4.29Å; Y181-L192 HydrophobicContact CE1-CD1 3.8Å; Y181-L192 WeakPolarHBondContact OH-CD1 3.23Å; P190-L192 PolarHBondContact O-N 2.94Å; L192-T196 HydrophobicContact CB-CG2 4.06Å; L192-T196 WeakPolarHBondContact CB-OG1 3.39Å; L192-T196 HydrophobicContact CD2-CG2 4.03Å
193	K	41.5	Very low	58.4	Low	165 Å²	165	91.9 Å²	91.9	72%	0.717	45%	0.449	S	S	*	.			trans	-55.9	148.4	178.6	-70.4	180	176	-178.9	0	109.7	V191 E195 T196	V191-K193 PolarHBondContact O-N 2.83Å; K193-E195 PolarHBondContact O-N 3.49Å; K193-T196 VanDerWaalsContact O-CB 3.28Å; K193-T196 WeakPolarHBondContact O-CB 3.22Å; K193-T196 WeakPolarHBondContact O-CG2 3.28Å; K193-T196 PolarHBondContact O-N 3.24Å; K193-T196 PolarHBondContact O-OG1 3.49Å
194	E	45.5	Very low	58.8	Low	191 Å²	191	93.4 Å²	93.4	89%	0.893	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-17.8	-179.5	-68	177.8	155.3	0	0	115.1	T196 P197	E194-T196 VanDerWaalsContact C-N 3.25Å; E194-T196 PolarHBondContact O-N 3.41Å; E194-P197 WeakPolarHBondContact O-CD 3.35Å
195	E	47.4	Very low	59.7	Low	140 Å²	140	90.2 Å²	90.2	65%	0.654	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-11.5	172.6	-68.5	-86.4	134.5	0	0	114.3	K193 Q199	K193-E195 PolarHBondContact O-N 3.49Å; E195-Q199 VanDerWaalsContact O-CG 3.28Å; E195-Q199 WeakPolarHBondContact O-CG 3.47Å
196	T	60.6	Low	60.9	Low	23 Å²	23	95.1 Å²	95.1	14%	0.141	46%	0.458	C	S	.	.	H	α-helix	trans	-83.2	-35.5	-170.2	55.4	0	0	0	0	116.6	L192 K193 E194 Q199 H200	L192-T196 HydrophobicContact CB-CG2 4.06Å; L192-T196 WeakPolarHBondContact CB-OG1 3.39Å; L192-T196 HydrophobicContact CD2-CG2 4.03Å; K193-T196 VanDerWaalsContact O-CB 3.28Å; K193-T196 WeakPolarHBondContact O-CB 3.22Å; K193-T196 WeakPolarHBondContact O-CG2 3.28Å; K193-T196 PolarHBondContact O-N 3.24Å; K193-T196 PolarHBondContact O-OG1 3.49Å; E194-T196 VanDerWaalsContact C-N 3.25Å; E194-T196 PolarHBondContact O-N 3.41Å; T196-Q199 PolarHBondContact O-N 3.4Å; T196-H200 WeakPolarHBondContact O-CB 3.4Å; T196-H200 PolarHBondContact O-N 3.45Å
197	P	64.6	Low	62.5	Low	17 Å²	17	90.4 Å²	90.4	11%	0.11	44%	0.437	C	S	.	.	H	α-helix	trans	-68.5	-41.5	-176.8	-17.9	32.2	0	0	0	111.2	L174 M177 Y181 E194 Q199 H200 V201	L174-P197 HydrophobicContact CD1-CB 4.33Å; M177-P197 HydrophobicContact CG-CB 3.96Å; Y181-P197 HydrophobicContact CD2-CB 4.1Å; Y181-P197 HydrophobicContact CD2-CG 3.9Å; Y181-P197 HydrophobicContact CE2-CB 3.8Å; Y181-P197 HydrophobicContact CE2-CG 3.75Å; E194-P197 WeakPolarHBondContact O-CD 3.35Å; P197-Q199 PolarHBondContact O-N 2.96Å; P197-H200 PolarHBondContact O-N 2.87Å; P197-V201 WeakPolarHBondContact O-CB 3.45Å; P197-V201 WeakPolarHBondContact O-CG2 3.49Å; P197-V201 PolarHBondContact O-N 3.04Å
198	R	72.7	Confident	64.4	Low	177 Å²	177	86.3 Å²	86.3	67%	0.668	41%	0.409	S	S	*	.	H	α-helix	trans	-63.9	-41.2	177.5	-70.6	-176.3	178.5	-166.3	-1.1	112.2	L174 E202	L174-R198 HydrophobicContact CD1-CG 3.82Å; L174-R198 HydrophobicContact CD2-CG 4.32Å; R198-E202 WeakPolarHBondContact O-CB 3.48Å; R198-E202 PolarHBondContact O-N 3.06Å
199	Q	73.8	Confident	66.6	Low	113 Å²	113	85.5 Å²	85.5	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-68.5	-40.2	177.2	-70.8	175.1	2.2	0	0	111.7	E195 T196 P197 E202 V203	E195-Q199 VanDerWaalsContact O-CG 3.28Å; E195-Q199 WeakPolarHBondContact O-CG 3.47Å; T196-Q199 PolarHBondContact O-N 3.4Å; P197-Q199 PolarHBondContact O-N 2.96Å; Q199-E202 PolarHBondContact O-N 3.08Å; Q199-V203 WeakPolarHBondContact O-CG2 3.36Å; Q199-V203 PolarHBondContact O-N 3.28Å; Q199-V203 VanDerWaalsContact O-N 3.13Å
200	H	73.8	Confident	69.1	Low	78 Å²	78	80.8 Å²	80.8	36%	0.361	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-51.2	172.3	-79.2	169.3	0	0	0	111.2	M177 Y181 T196 P197 E202 V203 F204	M177-H200 HydrophobicContact CE-CB 4.06Å; Y181-H200 PolarHBondContact OH-ND1 2.97Å; T196-H200 WeakPolarHBondContact O-CB 3.4Å; T196-H200 PolarHBondContact O-N 3.45Å; P197-H200 PolarHBondContact O-N 2.87Å; H200-E202 VanDerWaalsContact C-N 3.28Å; H200-E202 PolarHBondContact O-N 3.25Å; H200-V203 PolarHBondContact O-N 3.36Å; H200-V203 VanDerWaalsContact O-N 3.07Å; H200-F204 HydrophobicContact CB-CD2 4.43Å; H200-F204 VanDerWaalsContact O-CD2 3.23Å; H200-F204 WeakPolarHBondContact O-CD2 3.19Å; H200-F204 PolarHBondContact O-N 3.32Å
201	V	81	Confident	71.2	Confident	2 Å²	2	81.1 Å²	81.1	1%	0.012	39%	0.385	C	S	.	.	H	α-helix	trans	-56.9	-43.7	178.4	171.7	0	0	0	0	110.5	K170 M173 L174 M177 P197 V203 F204 F205	K170-V201 HydrophobicContact CG-CG1 3.95Å; M173-V201 HydrophobicContact CB-CG1 4.14Å; M173-V201 HydrophobicContact CG-CG1 4.05Å; M173-V201 HydrophobicContact CG-CG2 4.29Å; M173-V201 HydrophobicContact SD-CG1 4.08Å; L174-V201 HydrophobicContact CB-CG1 4.44Å; L174-V201 HydrophobicContact CB-CG2 4.36Å; L174-V201 HydrophobicContact CD1-CG2 4.09Å; M177-V201 HydrophobicContact CB-CG2 3.99Å; M177-V201 HydrophobicContact CE-CG2 4.38Å; M177-V201 HydrophobicContact CG-CG2 4.17Å; P197-V201 WeakPolarHBondContact O-CB 3.45Å; P197-V201 WeakPolarHBondContact O-CG2 3.49Å; P197-V201 PolarHBondContact O-N 3.04Å; V201-V203 VanDerWaalsContact C-N 3.35Å; V201-V203 PolarHBondContact O-N 2.99Å; V201-F204 PolarHBondContact O-N 3Å; V201-F205 WeakPolarHBondContact O-CB 3.33Å; V201-F205 PolarHBondContact O-N 3.21Å
202	E	83.4	Confident	73.6	Confident	68 Å²	68	84.9 Å²	84.9	32%	0.318	39%	0.393	S	S	.	.	H	α-helix	trans	-55.8	-47.9	175	-172.2	70.4	-143.4	0	0	112.4	K170 R198 Q199 H200 Q206	K170-E202 WeakPolarHBondContact CE-OE2 3.46Å; K170-E202 IonicContact NZ-OE1 2.98Å; K170-E202 IonicContact NZ-OE2 3.5Å; K170-E202 PolarHBondContact NZ-OE2 3.45Å; R198-E202 WeakPolarHBondContact O-CB 3.48Å; R198-E202 PolarHBondContact O-N 3.06Å; Q199-E202 PolarHBondContact O-N 3.08Å; H200-E202 VanDerWaalsContact C-N 3.28Å; H200-E202 PolarHBondContact O-N 3.25Å; E202-Q206 WeakPolarHBondContact O-CB 3.33Å; E202-Q206 VanDerWaalsContact O-CG 3.24Å; E202-Q206 WeakPolarHBondContact O-CG 3.28Å; E202-Q206 PolarHBondContact O-N 3.22Å; E202-Q206 PolarHBondContact OE1-NE2 3.04Å
203	V	80.6	Confident	75.7	Confident	80 Å²	80	85.7 Å²	85.7	49%	0.485	40%	0.398	S	S	.	.	H	α-helix	trans	-68.3	-39.7	-178.3	173	0	0	0	0	111.6	Q199 H200 V201 K207	Q199-V203 WeakPolarHBondContact O-CG2 3.36Å; Q199-V203 PolarHBondContact O-N 3.28Å; Q199-V203 VanDerWaalsContact O-N 3.13Å; H200-V203 PolarHBondContact O-N 3.36Å; H200-V203 VanDerWaalsContact O-N 3.07Å; V201-V203 VanDerWaalsContact C-N 3.35Å; V201-V203 PolarHBondContact O-N 2.99Å; V203-K207 WeakPolarHBondContact O-CG 3.38Å; V203-K207 PolarHBondContact O-N 3.3Å
204	F	80.3	Confident	77.9	Confident	34 Å²	34	79.7 Å²	79.7	15%	0.149	38%	0.383	C	S	.	.	H	α-helix	trans	-67.6	-47.7	176	-85	-78.9	0	0	0	111.2	M173 H200 V201 Q206 K207 M208 I231	M173-F204 HydrophobicContact SD-CB 4.1Å; H200-F204 HydrophobicContact CB-CD2 4.43Å; H200-F204 VanDerWaalsContact O-CD2 3.23Å; H200-F204 WeakPolarHBondContact O-CD2 3.19Å; H200-F204 PolarHBondContact O-N 3.32Å; V201-F204 PolarHBondContact O-N 3Å; F204-Q206 PolarHBondContact O-N 3.28Å; F204-K207 PolarHBondContact O-N 2.85Å; F204-K207 VanDerWaalsContact O-N 3.11Å; F204-M208 HydrophobicContact CD1-CE 4.31Å; F204-M208 WeakPolarHBondContact O-CG 3.27Å; F204-M208 PolarHBondContact O-N 3.15Å; F204-I231 HydrophobicContact CD1-CD1 4.39Å; F204-I231 HydrophobicContact CD1-CG1 4.01Å; F204-I231 HydrophobicContact CD1-CG2 4.32Å; F204-I231 HydrophobicContact CE1-CB 4.27Å; F204-I231 HydrophobicContact CE1-CG1 3.84Å; F204-I231 HydrophobicContact CE1-CG2 4.19Å
205	F	85.2	Confident	80.1	Confident	12 Å²	12	72.4 Å²	72.4	5%	0.053	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-47.1	-178.5	-159.6	-85.7	0	0	0	111.1	K170 M173 V201 K207 M208 D209 G214 V216	K170-F205 HydrophobicContact CB-CD2 3.92Å; K170-F205 HydrophobicContact CB-CE2 3.87Å; K170-F205 HydrophobicContact CB-CG 4.29Å; K170-F205 HydrophobicContact CB-CZ 4.18Å; K170-F205 HydrophobicContact CG-CD2 4.3Å; K170-F205 HydrophobicContact CG-CG 4.35Å; K170-F205 VanDerWaalsContact N-CE2 3.26Å; M173-F205 HydrophobicContact CE-CD2 4.17Å; M173-F205 HydrophobicContact SD-CB 4.39Å; M173-F205 HydrophobicContact SD-CD2 4.19Å; V201-F205 WeakPolarHBondContact O-CB 3.33Å; V201-F205 PolarHBondContact O-N 3.21Å; F205-K207 PolarHBondContact O-N 2.9Å; F205-K207 VanDerWaalsContact O-N 3.12Å; F205-M208 PolarHBondContact O-N 2.96Å; F205-M208 VanDerWaalsContact O-N 3.15Å; F205-D209 HydrophobicContact CD1-CB 3.98Å; F205-D209 HydrophobicContact CE1-CB 3.78Å; F205-D209 HydrophobicContact CZ-CB 4.49Å; F205-D209 VanDerWaalsContact O-CB 3.24Å; F205-D209 WeakPolarHBondContact O-CB 3.38Å; F205-D209 PolarHBondContact O-N 3.27Å; F205-G214 VanDerWaalsContact CZ-O 3.28Å; F205-G214 WeakPolarHBondContact CZ-O 3.41Å; F205-V216 HydrophobicContact CD2-CG2 4.18Å; F205-V216 HydrophobicContact CE2-CG2 3.78Å; F205-V216 HydrophobicContact CZ-CG2 3.97Å
206	Q	86	Confident	82.2	Confident	122 Å²	122	65.7 Å²	65.7	57%	0.57	32%	0.32	S	S	*	.	H	α-helix	trans	-61.2	-23.2	176.8	-76.2	-177.8	7.5	0	0	114.4	E202 F204	E202-Q206 WeakPolarHBondContact O-CB 3.33Å; E202-Q206 VanDerWaalsContact O-CG 3.24Å; E202-Q206 WeakPolarHBondContact O-CG 3.28Å; E202-Q206 PolarHBondContact O-N 3.22Å; E202-Q206 PolarHBondContact OE1-NE2 3.04Å; F204-Q206 PolarHBondContact O-N 3.28Å
207	K	83.9	Confident	83.8	Confident	95 Å²	95	66.3 Å²	66.3	41%	0.413	32%	0.324	S	S	.	.	H	α-helix	trans	-88.6	-32.3	177	-77	-175	169.3	-160.9	0	112.8	V203 F204 F205 C224 D228 I231	V203-K207 WeakPolarHBondContact O-CG 3.38Å; V203-K207 PolarHBondContact O-N 3.3Å; F204-K207 PolarHBondContact O-N 2.85Å; F204-K207 VanDerWaalsContact O-N 3.11Å; F205-K207 PolarHBondContact O-N 2.9Å; F205-K207 VanDerWaalsContact O-N 3.12Å; K207-C224 PolarHBondContact O-SG 3.42Å; K207-C224 VanDerWaalsContact O-SG 3.36Å; K207-D228 IonicContact NZ-OD2 2.55Å; K207-D228 PolarHBondContact NZ-OD2 3.45Å; K207-I231 HydrophobicContact CB-CD1 3.75Å; K207-I231 HydrophobicContact CD-CD1 3.69Å; K207-I231 HydrophobicContact CD-CG1 4.39Å; K207-I231 HydrophobicContact CG-CD1 4.44Å
208	M	85.3	Confident	85	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-81.5	-43.3	179.3	-72.3	-178.9	177.6	0	0	111.7	M173 F204 F205 K210 V216 F221 C224 I231 M235	M173-M208 HydrophobicContact CE-SD 3.7Å; F204-M208 HydrophobicContact CD1-CE 4.31Å; F204-M208 WeakPolarHBondContact O-CG 3.27Å; F204-M208 PolarHBondContact O-N 3.15Å; F205-M208 PolarHBondContact O-N 2.96Å; F205-M208 VanDerWaalsContact O-N 3.15Å; M208-K210 PolarHBondContact O-N 2.81Å; M208-V216 HydrophobicContact CB-CG1 3.93Å; M208-V216 HydrophobicContact CB-CG2 3.78Å; M208-F221 HydrophobicContact CE-CD2 4.2Å; M208-F221 HydrophobicContact CE-CE2 4.04Å; M208-F221 HydrophobicContact SD-CD2 3.94Å; M208-F221 HydrophobicContact SD-CE2 4.24Å; M208-C224 HydrophobicContact CG-CB 4.02Å; M208-I231 HydrophobicContact CE-CG2 3.51Å; M208-M235 HydrophobicContact CE-SD 4.39Å
209	D	89.4	Confident	85.9	Confident	13 Å²	13	65.6 Å²	65.6	7%	0.07	33%	0.332	C	S	.	.			trans	-73.8	89.6	177	-180	2.8	0	0	0	110	F205 N211 K212 D213 G214 V216	F205-D209 HydrophobicContact CD1-CB 3.98Å; F205-D209 HydrophobicContact CE1-CB 3.78Å; F205-D209 HydrophobicContact CZ-CB 4.49Å; F205-D209 VanDerWaalsContact O-CB 3.24Å; F205-D209 WeakPolarHBondContact O-CB 3.38Å; F205-D209 PolarHBondContact O-N 3.27Å; D209-N211 PolarHBondContact OD1-OD1 3.48Å; D209-K212 VanDerWaalsContact CG-CA 3.48Å; D209-K212 WeakPolarHBondContact OD1-CA 3.49Å; D209-K212 PolarHBondContact OD1-N 2.95Å; D209-K212 WeakPolarHBondContact OD2-CA 3.26Å; D209-D213 PolarHBondContact OD1-N 3.38Å; D209-G214 WeakPolarHBondContact OD2-CA 3.47Å; D209-G214 PolarHBondContact OD2-N 3.3Å; D209-G214 VanDerWaalsContact OD2-N 3.07Å; D209-V216 HydrophobicContact CB-CG2 4.07Å
210	K	86.5	Confident	86.7	Confident	117 Å²	117	61.1 Å²	61.1	51%	0.509	31%	0.311	S	S	.	.	S	Bend	trans	-77.8	-40.1	-174.2	-76	-166.6	169.1	-163.9	0	111.8	M208 K212 E220 D223	M208-K210 PolarHBondContact O-N 2.81Å; K210-K212 VanDerWaalsContact C-N 3.31Å; K210-E220 HydrophobicContact CB-CG 4.48Å; K210-E220 PolarHBondContact N-OE1 2.58Å; K210-D223 VanDerWaalsContact CE-OD2 3.28Å; K210-D223 WeakPolarHBondContact CE-OD2 3.2Å; K210-D223 IonicContact NZ-OD2 3.84Å; K210-D223 PolarHBondContact NZ-OD2 3.04Å
211	N	89.6	Confident	87.4	Confident	91 Å²	91	57.4 Å²	57.4	49%	0.487	29%	0.294	S	S	.	.	S	Bend	trans	-83	-11.5	-178.2	70.4	4.2	0	0	0	112.5	D209 D213 E220	D209-N211 PolarHBondContact OD1-OD1 3.48Å; N211-D213 VanDerWaalsContact C-N 3.3Å; N211-D213 VanDerWaalsContact CG-CG 3.49Å; N211-D213 VanDerWaalsContact ND2-CG 3.26Å; N211-D213 PolarHBondContact ND2-OD2 3.05Å; N211-D213 WeakPolarHBondContact OD1-CB 3.47Å; N211-D213 PolarHBondContact OD1-N 3.26Å; N211-D213 PolarHBondContact OD1-OD1 2.64Å; N211-D213 VanDerWaalsContact OD1-OD1 3.1Å; N211-D213 PolarHBondContact OD1-OD2 2.91Å; N211-E220 PolarHBondContact N-OE1 3.14Å; N211-E220 PolarHBondContact OD1-OE1 3.41Å
212	K	88.9	Confident	87.7	Confident	173 Å²	173	58.2 Å²	58.2	75%	0.752	30%	0.298	S	S	*	.			trans	61.8	34.4	-179.9	-58.2	-176.8	-179.5	-178	0	113.1	D209 K210 G214	D209-K212 VanDerWaalsContact CG-CA 3.48Å; D209-K212 WeakPolarHBondContact OD1-CA 3.49Å; D209-K212 PolarHBondContact OD1-N 2.95Å; D209-K212 WeakPolarHBondContact OD2-CA 3.26Å; K210-K212 VanDerWaalsContact C-N 3.31Å; K212-G214 VanDerWaalsContact C-N 3.27Å
213	D	89.9	Confident	87.9	Confident	87 Å²	87	57.9 Å²	57.9	47%	0.465	30%	0.298	S	S	.	.	S	Bend	trans	-84.5	-5.2	177.7	70.4	6.1	0	0	0	112.9	D209 N211 V215	D209-D213 PolarHBondContact OD1-N 3.38Å; N211-D213 VanDerWaalsContact C-N 3.3Å; N211-D213 VanDerWaalsContact CG-CG 3.49Å; N211-D213 VanDerWaalsContact ND2-CG 3.26Å; N211-D213 PolarHBondContact ND2-OD2 3.05Å; N211-D213 WeakPolarHBondContact OD1-CB 3.47Å; N211-D213 PolarHBondContact OD1-N 3.26Å; N211-D213 PolarHBondContact OD1-OD1 2.64Å; N211-D213 VanDerWaalsContact OD1-OD1 3.1Å; N211-D213 PolarHBondContact OD1-OD2 2.91Å; D213-V215 WeakPolarHBondContact OD1-CG2 3.49Å; D213-V215 PolarHBondContact OD1-N 3.16Å
214	G	87.3	Confident	88.2	Confident	39 Å²	39	54.4 Å²	54.4	40%	0.402	28%	0.277	S	S	.	.	S	Bend	trans	87.6	7.5	178.6	0	0	0	0	0	114	F205 D209 K212	F205-G214 VanDerWaalsContact CZ-O 3.28Å; F205-G214 WeakPolarHBondContact CZ-O 3.41Å; D209-G214 WeakPolarHBondContact OD2-CA 3.47Å; D209-G214 PolarHBondContact OD2-N 3.3Å; D209-G214 VanDerWaalsContact OD2-N 3.07Å; K212-G214 VanDerWaalsContact C-N 3.27Å
215	V	91.8	Very high	88.4	Confident	37 Å²	37	52.8 Å²	52.8	22%	0.224	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.3	172.2	-65.2	0	0	0	0	110.6	Y167 T169 D213	Y167-V215 HydrophobicContact CD1-CB 4.23Å; Y167-V215 HydrophobicContact CD1-CG2 3.79Å; Y167-V215 HydrophobicContact CE1-CG2 4.47Å; Y167-V215 HydrophobicContact CG-CG2 4.46Å; T169-V215 HydrophobicContact CG2-CG1 4.38Å; D213-V215 WeakPolarHBondContact OD1-CG2 3.49Å; D213-V215 PolarHBondContact OD1-N 3.16Å
216	V	91.9	Very high	88.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.4	174.8	176.5	0	0	0	0	109	I168 F205 M208 D209 E220 F221	I168-V216 HydrophobicContact CB-CB 4.23Å; I168-V216 PolarHBondContact N-O 3.17Å; I168-V216 PolarHBondContact O-N 2.7Å; F205-V216 HydrophobicContact CD2-CG2 4.18Å; F205-V216 HydrophobicContact CE2-CG2 3.78Å; F205-V216 HydrophobicContact CZ-CG2 3.97Å; M208-V216 HydrophobicContact CB-CG1 3.93Å; M208-V216 HydrophobicContact CB-CG2 3.78Å; D209-V216 HydrophobicContact CB-CG2 4.07Å; V216-E220 HydrophobicContact CG1-CB 4.25Å; V216-F221 HydrophobicContact CG1-CB 4.05Å
217	T	93.1	Very high	88.1	Confident	35 Å²	35	57 Å²	57	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	162.3	175.1	60	0	0	0	0	112.1	Y167 D219 E220 F221	Y167-T217 HydrophobicContact CD1-CG2 3.82Å; Y167-T217 HydrophobicContact CE1-CG2 3.74Å; T217-D219 VanDerWaalsContact C-N 3.26Å; T217-D219 PolarHBondContact O-N 3.31Å; T217-E220 PolarHBondContact N-OE2 2.77Å; T217-E220 PolarHBondContact O-N 3.27Å; T217-E220 WeakPolarHBondContact OG1-CB 3.25Å; T217-E220 VanDerWaalsContact OG1-CG 3.27Å; T217-E220 WeakPolarHBondContact OG1-CG 3.43Å; T217-E220 PolarHBondContact OG1-N 3.33Å; T217-E220 PolarHBondContact OG1-OE2 3.04Å; T217-F221 WeakPolarHBondContact O-CB 3.46Å; T217-F221 PolarHBondContact O-N 3.47Å
218	I	90.4	Very high	88	Confident	57 Å²	57	54 Å²	54	29%	0.292	28%	0.282	S	S	.	.	H	α-helix	trans	-57.8	-38.4	176.7	-168	163.4	0	0	0	112.9	I154 F157 F221 I222	I154-I218 HydrophobicContact CG1-CD1 4.16Å; I154-I218 HydrophobicContact CG2-CD1 4.24Å; F157-I218 HydrophobicContact CD1-CB 4.35Å; F157-I218 HydrophobicContact CD1-CD1 4.21Å; F157-I218 HydrophobicContact CD1-CG1 4.28Å; F157-I218 HydrophobicContact CD2-CB 4.2Å; F157-I218 HydrophobicContact CD2-CG1 4.28Å; F157-I218 HydrophobicContact CE1-CB 4.25Å; F157-I218 HydrophobicContact CE2-CB 4.09Å; F157-I218 HydrophobicContact CG-CB 4.33Å; F157-I218 HydrophobicContact CG-CD1 4.39Å; F157-I218 HydrophobicContact CG-CG1 4.09Å; F157-I218 HydrophobicContact CZ-CB 4.13Å; I218-F221 PolarHBondContact O-N 3.5Å; I218-I222 HydrophobicContact CG1-CD1 3.95Å; I218-I222 HydrophobicContact CG1-CG1 4.47Å; I218-I222 WeakPolarHBondContact O-CB 3.4Å; I218-I222 VanDerWaalsContact O-CG1 3.3Å; I218-I222 WeakPolarHBondContact O-CG1 3.25Å; I218-I222 PolarHBondContact O-N 3.27Å
219	D	90.9	Very high	87.5	Confident	123 Å²	123	60.1 Å²	60.1	66%	0.658	31%	0.311	S	S	*	.	H	α-helix	trans	-68.1	-43	179.2	-70.7	-31.5	0	0	0	110.9	T217 F221 D223	T217-D219 VanDerWaalsContact C-N 3.26Å; T217-D219 PolarHBondContact O-N 3.31Å; D219-F221 VanDerWaalsContact C-N 3.34Å; D219-D223 WeakPolarHBondContact O-CB 3.14Å; D219-D223 PolarHBondContact O-N 3.25Å
220	E	90.9	Very high	86.7	Confident	19 Å²	19	63.2 Å²	63.2	9%	0.089	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-40.4	174.6	-74.8	172.2	133	0	0	112	K210 N211 V216 T217 C224	K210-E220 HydrophobicContact CB-CG 4.48Å; K210-E220 PolarHBondContact N-OE1 2.58Å; N211-E220 PolarHBondContact N-OE1 3.14Å; N211-E220 PolarHBondContact OD1-OE1 3.41Å; V216-E220 HydrophobicContact CG1-CB 4.25Å; T217-E220 PolarHBondContact N-OE2 2.77Å; T217-E220 PolarHBondContact O-N 3.27Å; T217-E220 WeakPolarHBondContact OG1-CB 3.25Å; T217-E220 VanDerWaalsContact OG1-CG 3.27Å; T217-E220 WeakPolarHBondContact OG1-CG 3.43Å; T217-E220 PolarHBondContact OG1-N 3.33Å; T217-E220 PolarHBondContact OG1-OE2 3.04Å; E220-C224 WeakPolarHBondContact O-CB 3.38Å; E220-C224 PolarHBondContact O-N 3.21Å
221	F	88.6	Confident	86	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-49.7	177.4	-177.4	-95.5	0	0	0	111.9	L153 A156 F157 I168 M208 V216 T217 I218 D219 C224 C225 M235	L153-F221 HydrophobicContact CB-CE1 4.5Å; L153-F221 HydrophobicContact CD2-CE1 4.28Å; L153-F221 WeakPolarHBondContact O-CE1 3.2Å; A156-F221 HydrophobicContact CB-CE1 4.44Å; A156-F221 HydrophobicContact CB-CZ 4.38Å; F157-F221 HydrophobicContact CB-CD1 4.04Å; F157-F221 HydrophobicContact CB-CE1 4.14Å; F157-F221 HydrophobicContact CD2-CB 3.76Å; F157-F221 HydrophobicContact CD2-CD1 4.09Å; F157-F221 HydrophobicContact CD2-CD2 4.35Å; F157-F221 AromaticContact CD2-CG 3.82Å; F157-F221 HydrophobicContact CD2-CG 3.82Å; F157-F221 HydrophobicContact CE2-CB 4.24Å; I168-F221 HydrophobicContact CD1-CD2 4.06Å; I168-F221 HydrophobicContact CD1-CE2 4.33Å; M208-F221 HydrophobicContact CE-CD2 4.2Å; M208-F221 HydrophobicContact CE-CE2 4.04Å; M208-F221 HydrophobicContact SD-CD2 3.94Å; M208-F221 HydrophobicContact SD-CE2 4.24Å; V216-F221 HydrophobicContact CG1-CB 4.05Å; T217-F221 WeakPolarHBondContact O-CB 3.46Å; T217-F221 PolarHBondContact O-N 3.47Å; I218-F221 PolarHBondContact O-N 3.5Å; D219-F221 VanDerWaalsContact C-N 3.34Å; F221-C224 PolarHBondContact O-N 2.84Å; F221-C225 WeakPolarHBondContact O-CB 3.12Å; F221-C225 PolarHBondContact O-N 2.87Å; F221-C225 PolarHBondContact O-SG 3.13Å; F221-M235 HydrophobicContact CE2-CE 3.99Å; F221-M235 HydrophobicContact CZ-CE 3.53Å
222	I	87.5	Confident	85.2	Confident	19 Å²	19	56.8 Å²	56.8	10%	0.097	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-47.5	179.1	-69.7	170.8	0	0	0	110.1	L153 I154 I218 C224 C225 Q226	L153-I222 HydrophobicContact CB-CG1 4.27Å; L153-I222 HydrophobicContact CD1-CG2 4.39Å; I154-I222 HydrophobicContact CG1-CD1 4.1Å; I218-I222 HydrophobicContact CG1-CD1 3.95Å; I218-I222 HydrophobicContact CG1-CG1 4.47Å; I218-I222 WeakPolarHBondContact O-CB 3.4Å; I218-I222 VanDerWaalsContact O-CG1 3.3Å; I218-I222 WeakPolarHBondContact O-CG1 3.25Å; I218-I222 PolarHBondContact O-N 3.27Å; I222-C224 VanDerWaalsContact C-N 3.34Å; I222-C224 PolarHBondContact O-N 3.03Å; I222-C225 PolarHBondContact O-N 2.93Å; I222-Q226 HydrophobicContact CG2-CG 4.39Å; I222-Q226 WeakPolarHBondContact O-CB 3.18Å; I222-Q226 VanDerWaalsContact O-CG 3.31Å; I222-Q226 WeakPolarHBondContact O-CG 3.21Å; I222-Q226 PolarHBondContact O-N 3.41Å
223	D	88.7	Confident	84.2	Confident	60 Å²	60	55 Å²	55	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-38.3	-178.7	-176.2	74.2	0	0	0	111.6	K210 D219 Q226 N227	K210-D223 VanDerWaalsContact CE-OD2 3.28Å; K210-D223 WeakPolarHBondContact CE-OD2 3.2Å; K210-D223 IonicContact NZ-OD2 3.84Å; K210-D223 PolarHBondContact NZ-OD2 3.04Å; D219-D223 WeakPolarHBondContact O-CB 3.14Å; D219-D223 PolarHBondContact O-N 3.25Å; D223-Q226 PolarHBondContact O-N 3.33Å; D223-N227 VanDerWaalsContact O-CB 3.3Å; D223-N227 WeakPolarHBondContact O-CB 3.29Å; D223-N227 VanDerWaalsContact O-CG 3.31Å; D223-N227 PolarHBondContact O-N 2.95Å; D223-N227 PolarHBondContact O-ND2 2.87Å; D223-N227 PolarHBondContact OD1-ND2 3.38Å; D223-N227 PolarHBondContact OD2-ND2 3.43Å; D223-N227 VanDerWaalsContact OD2-ND2 3.11Å
224	C	86.6	Confident	83	Confident	7 Å²	7	52.8 Å²	52.8	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-45.2	174.2	-166.5	0	0	0	0	111.7	K207 M208 E220 F221 I222 Q226 N227 D228 I231	K207-C224 PolarHBondContact O-SG 3.42Å; K207-C224 VanDerWaalsContact O-SG 3.36Å; M208-C224 HydrophobicContact CG-CB 4.02Å; E220-C224 WeakPolarHBondContact O-CB 3.38Å; E220-C224 PolarHBondContact O-N 3.21Å; F221-C224 PolarHBondContact O-N 2.84Å; I222-C224 VanDerWaalsContact C-N 3.34Å; I222-C224 PolarHBondContact O-N 3.03Å; C224-Q226 VanDerWaalsContact C-N 3.3Å; C224-Q226 PolarHBondContact O-N 3.47Å; C224-N227 PolarHBondContact O-N 2.82Å; C224-D228 PolarHBondContact O-N 2.97Å; C224-I231 WeakPolarHBondContact SG-CD1 3.5Å
225	C	83.2	Confident	82	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-29.8	178.2	-69.7	0	0	0	0	113.2	L153 F221 I222 M232	L153-C225 HydrophobicContact CD1-CB 4.14Å; L153-C225 HydrophobicContact CD2-CB 3.69Å; F221-C225 WeakPolarHBondContact O-CB 3.12Å; F221-C225 PolarHBondContact O-N 2.87Å; F221-C225 PolarHBondContact O-SG 3.13Å; I222-C225 PolarHBondContact O-N 2.93Å; C225-M232 WeakPolarHBondContact O-CB 3.26Å; C225-M232 WeakPolarHBondContact O-CG 3.42Å
226	Q	82.9	Confident	80.6	Confident	110 Å²	110	54 Å²	54	51%	0.514	27%	0.27	S	S	.	.	H	α-helix	trans	-81	-30.3	177.4	-72.5	-179.3	1.8	0	0	113	L153 I222 D223 C224	L153-Q226 HydrophobicContact CD1-CG 4.48Å; I222-Q226 HydrophobicContact CG2-CG 4.39Å; I222-Q226 WeakPolarHBondContact O-CB 3.18Å; I222-Q226 VanDerWaalsContact O-CG 3.31Å; I222-Q226 WeakPolarHBondContact O-CG 3.21Å; I222-Q226 PolarHBondContact O-N 3.41Å; D223-Q226 PolarHBondContact O-N 3.33Å; C224-Q226 VanDerWaalsContact C-N 3.3Å; C224-Q226 PolarHBondContact O-N 3.47Å
227	N	83.8	Confident	78.8	Confident	112 Å²	112	59.5 Å²	59.5	60%	0.599	30%	0.298	S	S	*	.	H	α-helix	trans	-96	-22.8	-174.9	-69.1	-51.5	0	0	0	114.4	D223 C224	D223-N227 VanDerWaalsContact O-CB 3.3Å; D223-N227 WeakPolarHBondContact O-CB 3.29Å; D223-N227 VanDerWaalsContact O-CG 3.31Å; D223-N227 PolarHBondContact O-N 2.95Å; D223-N227 PolarHBondContact O-ND2 2.87Å; D223-N227 PolarHBondContact OD1-ND2 3.38Å; D223-N227 PolarHBondContact OD2-ND2 3.43Å; D223-N227 VanDerWaalsContact OD2-ND2 3.11Å; C224-N227 PolarHBondContact O-N 2.82Å
228	D	80.3	Confident	76.9	Confident	33 Å²	33	59.9 Å²	59.9	18%	0.176	30%	0.297	C	S	.	.			trans	-112.7	102	177.9	-168.7	-29.8	0	0	0	111.1	K207 C224 N230 I231 M232	K207-D228 IonicContact NZ-OD2 2.55Å; K207-D228 PolarHBondContact NZ-OD2 3.45Å; C224-D228 PolarHBondContact O-N 2.97Å; D228-N230 PolarHBondContact O-N 3.09Å; D228-N230 VanDerWaalsContact O-N 3.17Å; D228-N230 WeakPolarHBondContact OD1-CA 3.42Å; D228-N230 VanDerWaalsContact OD1-CB 3.31Å; D228-N230 WeakPolarHBondContact OD1-CB 3.36Å; D228-N230 PolarHBondContact OD1-N 3.09Å; D228-N230 PolarHBondContact OD1-ND2 3.47Å; D228-I231 HydrophobicContact CB-CB 4.07Å; D228-I231 HydrophobicContact CB-CD1 4.02Å; D228-I231 HydrophobicContact CB-CG1 4.05Å; D228-I231 PolarHBondContact O-N 3.19Å; D228-I231 VanDerWaalsContact O-N 3.14Å; D228-I231 PolarHBondContact OD1-N 3.16Å; D228-M232 PolarHBondContact O-N 2.93Å
229	E	75.2	Confident	75.2	Confident	131 Å²	131	59.2 Å²	59.2	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-58.3	-28.3	177.9	-72.7	-168.9	-168.5	0	0	113.5	R233	E229-R233 WeakPolarHBondContact O-CB 3.44Å; E229-R233 VanDerWaalsContact O-CG 3.22Å; E229-R233 WeakPolarHBondContact O-CG 3.41Å; E229-R233 PolarHBondContact O-N 3.39Å; E229-R233 IonicContact OE2-CZ 3.8Å; E229-R233 IonicContact OE2-NH2 2.77Å; E229-R233 PolarHBondContact OE2-NH2 3.33Å
230	N	71.9	Confident	73	Confident	78 Å²	78	54.4 Å²	54.4	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-73.6	-41.4	179	-59	-67.3	0	0	0	110.5	M11 D228 R233 S234	M11-N230 VanDerWaalsContact CE-OD1 3.31Å; M11-N230 WeakPolarHBondContact CE-OD1 3.43Å; D228-N230 PolarHBondContact O-N 3.09Å; D228-N230 VanDerWaalsContact O-N 3.17Å; D228-N230 WeakPolarHBondContact OD1-CA 3.42Å; D228-N230 VanDerWaalsContact OD1-CB 3.31Å; D228-N230 WeakPolarHBondContact OD1-CB 3.36Å; D228-N230 PolarHBondContact OD1-N 3.09Å; D228-N230 PolarHBondContact OD1-ND2 3.47Å; N230-R233 PolarHBondContact O-N 2.9Å; N230-S234 WeakPolarHBondContact O-CB 3.36Å; N230-S234 PolarHBondContact O-N 2.83Å; N230-S234 PolarHBondContact O-OG 3.27Å
231	I	73.4	Confident	70.7	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-46.1	174.6	-67.3	-179.9	0	0	0	109.5	F204 K207 M208 C224 D228 R233 S234 M235	F204-I231 HydrophobicContact CD1-CD1 4.39Å; F204-I231 HydrophobicContact CD1-CG1 4.01Å; F204-I231 HydrophobicContact CD1-CG2 4.32Å; F204-I231 HydrophobicContact CE1-CB 4.27Å; F204-I231 HydrophobicContact CE1-CG1 3.84Å; F204-I231 HydrophobicContact CE1-CG2 4.19Å; K207-I231 HydrophobicContact CB-CD1 3.75Å; K207-I231 HydrophobicContact CD-CD1 3.69Å; K207-I231 HydrophobicContact CD-CG1 4.39Å; K207-I231 HydrophobicContact CG-CD1 4.44Å; M208-I231 HydrophobicContact CE-CG2 3.51Å; C224-I231 WeakPolarHBondContact SG-CD1 3.5Å; D228-I231 HydrophobicContact CB-CB 4.07Å; D228-I231 HydrophobicContact CB-CD1 4.02Å; D228-I231 HydrophobicContact CB-CG1 4.05Å; D228-I231 PolarHBondContact O-N 3.19Å; D228-I231 VanDerWaalsContact O-N 3.14Å; D228-I231 PolarHBondContact OD1-N 3.16Å; I231-R233 VanDerWaalsContact C-N 3.31Å; I231-R233 PolarHBondContact O-N 3.26Å; I231-S234 PolarHBondContact O-N 2.62Å; I231-S234 VanDerWaalsContact O-N 3.16Å; I231-M235 HydrophobicContact CG2-CG 4.1Å; I231-M235 WeakPolarHBondContact O-CB 3.47Å; I231-M235 VanDerWaalsContact O-CG 3.3Å; I231-M235 WeakPolarHBondContact O-CG 3.5Å; I231-M235 PolarHBondContact O-N 3Å
232	M	71.8	Confident	68.3	Low	71 Å²	71	56 Å²	56	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-57.2	-44.8	177.2	-159.1	-173.8	-140.2	0	0	111.9	V149 C225 D228 M235 H236	V149-M232 HydrophobicContact CG1-CE 3.94Å; C225-M232 WeakPolarHBondContact O-CB 3.26Å; C225-M232 WeakPolarHBondContact O-CG 3.42Å; D228-M232 PolarHBondContact O-N 2.93Å; M232-M235 PolarHBondContact O-N 3.46Å; M232-H236 WeakPolarHBondContact O-CB 3.38Å; M232-H236 PolarHBondContact O-N 3.38Å
233	R	67.8	Low	67.3	Low	136 Å²	136	57.9 Å²	57.9	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-65.7	-40.1	177	-75.8	177.8	-152.9	169.2	8.8	112.5	E229 N230 I231 H236 L237	E229-R233 WeakPolarHBondContact O-CB 3.44Å; E229-R233 VanDerWaalsContact O-CG 3.22Å; E229-R233 WeakPolarHBondContact O-CG 3.41Å; E229-R233 PolarHBondContact O-N 3.39Å; E229-R233 IonicContact OE2-CZ 3.8Å; E229-R233 IonicContact OE2-NH2 2.77Å; E229-R233 PolarHBondContact OE2-NH2 3.33Å; N230-R233 PolarHBondContact O-N 2.9Å; I231-R233 VanDerWaalsContact C-N 3.31Å; I231-R233 PolarHBondContact O-N 3.26Å; R233-H236 PolarHBondContact O-N 2.95Å; R233-L237 WeakPolarHBondContact O-CB 3.41Å; R233-L237 PolarHBondContact O-N 2.96Å
234	S	65.8	Low	66.2	Low	39 Å²	39	57.8 Å²	57.8	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-46.2	176.3	-72.2	0	0	0	0	111.7	N230 I231 H236 L237 F238	N230-S234 WeakPolarHBondContact O-CB 3.36Å; N230-S234 PolarHBondContact O-N 2.83Å; N230-S234 PolarHBondContact O-OG 3.27Å; I231-S234 PolarHBondContact O-N 2.62Å; I231-S234 VanDerWaalsContact O-N 3.16Å; S234-H236 VanDerWaalsContact C-N 3.34Å; S234-H236 PolarHBondContact O-N 2.8Å; S234-L237 WeakPolarHBondContact O-CB 3.49Å; S234-L237 PolarHBondContact O-N 2.68Å; S234-L237 VanDerWaalsContact O-N 3.12Å; S234-F238 WeakPolarHBondContact O-CD2 3.49Å; S234-F238 WeakPolarHBondContact O-CE2 3.46Å; S234-F238 PolarHBondContact O-N 2.66Å
235	M	66.4	Low	65.1	Low	9 Å²	9	60.6 Å²	60.6	4%	0.044	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-45.2	174.6	-70.7	-59.5	-59.9	0	0	111.5	A156 Y160 M208 F221 I231 M232 L237 F238 E239	A156-M235 HydrophobicContact CB-CE 4.46Å; Y160-M235 HydrophobicContact CD2-CE 4.23Å; Y160-M235 HydrophobicContact CE2-CE 3.42Å; Y160-M235 VanDerWaalsContact CE2-CE 3.42Å; Y160-M235 HydrophobicContact CE2-SD 4.3Å; Y160-M235 PolarHBondContact OH-SD 3.39Å; M208-M235 HydrophobicContact CE-SD 4.39Å; F221-M235 HydrophobicContact CE2-CE 3.99Å; F221-M235 HydrophobicContact CZ-CE 3.53Å; I231-M235 HydrophobicContact CG2-CG 4.1Å; I231-M235 WeakPolarHBondContact O-CB 3.47Å; I231-M235 VanDerWaalsContact O-CG 3.3Å; I231-M235 WeakPolarHBondContact O-CG 3.5Å; I231-M235 PolarHBondContact O-N 3Å; M232-M235 PolarHBondContact O-N 3.46Å; M235-L237 PolarHBondContact O-N 2.9Å; M235-F238 WeakPolarHBondContact O-CA 3.23Å; M235-F238 WeakPolarHBondContact O-CB 3.35Å; M235-F238 PolarHBondContact O-N 2.85Å; M235-E239 PolarHBondContact O-N 3.24Å
236	H	62.1	Low	64	Low	94 Å²	94	64.2 Å²	64.2	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-32.1	176.9	-163.1	53.6	0	0	0	111.9	M232 R233 S234 F238 E239 N240	M232-H236 WeakPolarHBondContact O-CB 3.38Å; M232-H236 PolarHBondContact O-N 3.38Å; R233-H236 PolarHBondContact O-N 2.95Å; S234-H236 VanDerWaalsContact C-N 3.34Å; S234-H236 PolarHBondContact O-N 2.8Å; H236-F238 VanDerWaalsContact C-N 3.27Å; H236-F238 PolarHBondContact O-N 3.23Å; H236-E239 IonicContact CE1-OE2 2.65Å; H236-E239 IonicContact CG-OE2 3.52Å; H236-E239 IonicContact ND1-OE2 2.82Å; H236-E239 PolarHBondContact ND1-OE2 3.21Å; H236-E239 PolarHBondContact O-N 2.64Å; H236-N240 PolarHBondContact CD2-ND2 3.48Å; H236-N240 PolarHBondContact NE2-ND2 3.29Å; H236-N240 VanDerWaalsContact NE2-ND2 3.2Å; H236-N240 WeakPolarHBondContact O-CB 3.02Å; H236-N240 PolarHBondContact O-N 3.17Å; H236-N240 PolarHBondContact O-ND2 2.87Å
237	L	54	Low	62.8	Low	114 Å²	114	61.3 Å²	61.3	60%	0.597	30%	0.302	S	S	*	.	H	α-helix	trans	-60.8	-38.5	172.6	-120.6	149.4	0	0	0	111.6	R233 S234 M235 V241	R233-L237 WeakPolarHBondContact O-CB 3.41Å; R233-L237 PolarHBondContact O-N 2.96Å; S234-L237 WeakPolarHBondContact O-CB 3.49Å; S234-L237 PolarHBondContact O-N 2.68Å; S234-L237 VanDerWaalsContact O-N 3.12Å; M235-L237 PolarHBondContact O-N 2.9Å; L237-V241 WeakPolarHBondContact O-CG2 3.25Å; L237-V241 PolarHBondContact O-N 2.64Å
238	F	53.6	Low	61.4	Low	43 Å²	43	57.9 Å²	57.9	19%	0.189	28%	0.283	C	S	.	.	H	α-helix	trans	-75.5	-37	175.4	-56.9	-57.7	0	0	0	112.4	M177 I180 S234 M235 H236 N240 V241 L242	M177-F238 HydrophobicContact CE-CZ 4.41Å; M177-F238 HydrophobicContact SD-CZ 4.27Å; I180-F238 HydrophobicContact CD1-CB 4.34Å; I180-F238 HydrophobicContact CD1-CD1 3.76Å; I180-F238 HydrophobicContact CD1-CE1 4.28Å; I180-F238 HydrophobicContact CD1-CG 4.11Å; I180-F238 HydrophobicContact CG2-CD1 4.01Å; I180-F238 HydrophobicContact CG2-CE1 4.11Å; S234-F238 WeakPolarHBondContact O-CD2 3.49Å; S234-F238 WeakPolarHBondContact O-CE2 3.46Å; S234-F238 PolarHBondContact O-N 2.66Å; M235-F238 WeakPolarHBondContact O-CA 3.23Å; M235-F238 WeakPolarHBondContact O-CB 3.35Å; M235-F238 PolarHBondContact O-N 2.85Å; H236-F238 VanDerWaalsContact C-N 3.27Å; H236-F238 PolarHBondContact O-N 3.23Å; F238-N240 VanDerWaalsContact C-N 3.28Å; F238-N240 PolarHBondContact O-N 3.2Å; F238-V241 WeakPolarHBondContact O-CB 3.39Å; F238-V241 PolarHBondContact O-N 3.02Å; F238-V241 VanDerWaalsContact O-N 3.13Å; F238-L242 PolarHBondContact O-N 2.89Å
239	E	53.4	Low	60.1	Low	43 Å²	43	59.7 Å²	59.7	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-31.4	170.7	-70.6	-179.5	160	0	0	113	M235 H236 V241 L242	M235-E239 PolarHBondContact O-N 3.24Å; H236-E239 IonicContact CE1-OE2 2.65Å; H236-E239 IonicContact CG-OE2 3.52Å; H236-E239 IonicContact ND1-OE2 2.82Å; H236-E239 PolarHBondContact ND1-OE2 3.21Å; H236-E239 PolarHBondContact O-N 2.64Å; E239-V241 PolarHBondContact O-N 2.72Å; E239-L242 WeakPolarHBondContact O-CB 3.3Å; E239-L242 PolarHBondContact O-N 2.99Å
240	N	44.5	Very low	58.9	Low	23 Å²	23	54.2 Å²	54.2	12%	0.123	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.3	176.9	-73.6	-56.9	0	0	0	113	V27 L28 H236 F238	V27-N240 VanDerWaalsContact CG1-O 3.3Å; V27-N240 WeakPolarHBondContact CG1-O 3.46Å; L28-N240 WeakPolarHBondContact CD1-OD1 3.38Å; L28-N240 HydrophobicContact CG-CB 4.42Å; H236-N240 PolarHBondContact CD2-ND2 3.48Å; H236-N240 PolarHBondContact NE2-ND2 3.29Å; H236-N240 VanDerWaalsContact NE2-ND2 3.2Å; H236-N240 WeakPolarHBondContact O-CB 3.02Å; H236-N240 PolarHBondContact O-N 3.17Å; H236-N240 PolarHBondContact O-ND2 2.87Å; F238-N240 VanDerWaalsContact C-N 3.28Å; F238-N240 PolarHBondContact O-N 3.2Å
241	V	42.8	Very low	57.8	Low	24 Å²	24	52.3 Å²	52.3	15%	0.145	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-22.8	171.5	175.2	0	0	0	0	111	F108 M183 L237 F238 E239	F108-V241 HydrophobicContact CZ-CG1 4.5Å; M183-V241 HydrophobicContact CE-CG1 3.27Å; M183-V241 HydrophobicContact SD-CG1 4.47Å; L237-V241 WeakPolarHBondContact O-CG2 3.25Å; L237-V241 PolarHBondContact O-N 2.64Å; F238-V241 WeakPolarHBondContact O-CB 3.39Å; F238-V241 PolarHBondContact O-N 3.02Å; F238-V241 VanDerWaalsContact O-N 3.13Å; E239-V241 PolarHBondContact O-N 2.72Å
242	L	38.3	Very low	56.4	Low	29 Å²	29	56.8 Å²	56.8	15%	0.152	28%	0.275	C	S	.	.			trans	-69.1	0	161.5	-65.2	165.5	0	0	0	111	L28 Y116 L120 W155 L159 F238 E239	L28-L242 VanDerWaalsContact CD2-OXT 3.27Å; L28-L242 WeakPolarHBondContact CD2-OXT 3.3Å; Y116-L242 HydrophobicContact CE1-CD2 3.64Å; Y116-L242 HydrophobicContact CE1-CG 4.45Å; Y116-L242 WeakPolarHBondContact OH-CD2 3.16Å; Y116-L242 VanDerWaalsContact OH-CG 3.31Å; Y116-L242 WeakPolarHBondContact OH-CG 3.46Å; L120-L242 HydrophobicContact CD1-CD2 3.63Å; L120-L242 HydrophobicContact CD2-CD2 3.77Å; L120-L242 HydrophobicContact CG-CD2 4.33Å; W155-L242 HydrophobicContact CH2-CD1 3.86Å; W155-L242 HydrophobicContact CH2-CD2 4.49Å; W155-L242 HydrophobicContact CZ3-CD1 3.51Å; L159-L242 HydrophobicContact CD2-CD1 4.15Å; F238-L242 PolarHBondContact O-N 2.89Å; E239-L242 WeakPolarHBondContact O-CB 3.3Å; E239-L242 PolarHBondContact O-N 2.99Å

Retrieved 242 of 242 residues in 482.9 ms (Link to these results)

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