A0A5K4F1F6_SCHMA Loading...

RDD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1F6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 314 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	73.9	Confident	91.5	Very high	199 Å²	199	119.6 Å²	119.6	98%	0.98	55%	0.552	S	S	*	*				0	121.7	0	-90.6	-177	167.4	0	0	106.9	W3	M1-W3 HydrophobicContact CB-CZ2 4.44Å; M1-W3 PolarHBondContact O-N 3.48Å; M1-W3 HydrophobicContact SD-CH2 4.04Å; M1-W3 HydrophobicContact SD-CZ2 3.85Å
2	D	87.8	Confident	91.8	Very high	98 Å²	98	113.3 Å²	113.3	52%	0.524	54%	0.543	S	S	.	.			trans	-83	94.3	175.1	173.5	26.5	0	0	0	108.6	D4 S5 Y6	D2-D4 VanDerWaalsContact C-N 3.28Å; D2-D4 PolarHBondContact O-N 3.5Å; D2-D4 PolarHBondContact OD1-N 2.98Å; D2-S5 PolarHBondContact O-OG 3.32Å; D2-S5 WeakPolarHBondContact OD2-CB 3.48Å; D2-S5 PolarHBondContact OD2-OG 2.85Å; D2-Y6 PolarHBondContact O-N 3.3Å
3	W	93	Very high	92	Very high	144 Å²	144	116.2 Å²	116.2	55%	0.545	55%	0.545	S	S	.	.	H	α-helix	trans	-67.4	-30.5	-177.5	-69.1	109	0	0	0	111.9	M1 Y6 Y7	M1-W3 HydrophobicContact CB-CZ2 4.44Å; M1-W3 PolarHBondContact O-N 3.48Å; M1-W3 HydrophobicContact SD-CH2 4.04Å; M1-W3 HydrophobicContact SD-CZ2 3.85Å; W3-Y6 HydrophobicContact CE3-CD1 4.43Å; W3-Y6 WeakPolarHBondContact O-CB 3.38Å; W3-Y6 PolarHBondContact O-N 2.9Å; W3-Y7 HydrophobicContact CB-CD2 4.32Å; W3-Y7 HydrophobicContact CB-CE2 4.29Å; W3-Y7 HydrophobicContact CE3-CE2 4.45Å; W3-Y7 WeakPolarHBondContact O-CD2 3.29Å; W3-Y7 PolarHBondContact O-N 2.71Å
4	D	93.7	Very high	92.2	Very high	115 Å²	115	113.5 Å²	113.5	62%	0.615	54%	0.54	S	S	*	.	H	α-helix	trans	-66.5	-44.1	-178.4	-64.9	-30	0	0	0	111.1	D2 Y6 Y7 N8	D2-D4 VanDerWaalsContact C-N 3.28Å; D2-D4 PolarHBondContact O-N 3.5Å; D2-D4 PolarHBondContact OD1-N 2.98Å; D4-Y6 VanDerWaalsContact C-N 3.29Å; D4-Y6 PolarHBondContact O-N 3.24Å; D4-Y7 PolarHBondContact O-N 3.47Å; D4-N8 WeakPolarHBondContact O-CB 3.29Å; D4-N8 VanDerWaalsContact O-CG 3.25Å; D4-N8 PolarHBondContact O-N 2.98Å; D4-N8 PolarHBondContact O-ND2 3.45Å
5	S	92.6	Very high	92.4	Very high	34 Å²	34	114.8 Å²	114.8	24%	0.238	54%	0.543	C	S	.	.	H	α-helix	trans	-66.5	-30.1	173.7	65.5	0	0	0	0	113.3	D2 R9	D2-S5 PolarHBondContact O-OG 3.32Å; D2-S5 WeakPolarHBondContact OD2-CB 3.48Å; D2-S5 PolarHBondContact OD2-OG 2.85Å; S5-R9 WeakPolarHBondContact O-CB 3.34Å; S5-R9 WeakPolarHBondContact O-CG 3.3Å; S5-R9 PolarHBondContact O-N 3Å; S5-R9 VanDerWaalsContact O-N 3.11Å; S5-R9 PolarHBondContact O-NE 3.4Å; S5-R9 PolarHBondContact OG-NH2 3.3Å
6	Y	92.8	Very high	92.5	Very high	116 Å²	116	117.5 Å²	117.5	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-67	-50.8	173.6	176.3	-94.6	0	0	0	111.6	D2 W3 D4 N8 R9 L10	D2-Y6 PolarHBondContact O-N 3.3Å; W3-Y6 HydrophobicContact CE3-CD1 4.43Å; W3-Y6 WeakPolarHBondContact O-CB 3.38Å; W3-Y6 PolarHBondContact O-N 2.9Å; D4-Y6 VanDerWaalsContact C-N 3.29Å; D4-Y6 PolarHBondContact O-N 3.24Å; Y6-N8 PolarHBondContact O-N 3.19Å; Y6-R9 PolarHBondContact O-N 3.45Å; Y6-L10 HydrophobicContact CE1-CD2 4.46Å; Y6-L10 WeakPolarHBondContact O-CB 3.49Å; Y6-L10 PolarHBondContact O-N 3.13Å
7	Y	94.5	Very high	92.5	Very high	141 Å²	141	116.1 Å²	116.1	55%	0.553	55%	0.545	S	S	*	.	H	α-helix	trans	-63.6	-39.8	178.6	-78	-66.7	0	0	0	112.3	W3 D4 R9 L10 E11	W3-Y7 HydrophobicContact CB-CD2 4.32Å; W3-Y7 HydrophobicContact CB-CE2 4.29Å; W3-Y7 HydrophobicContact CE3-CE2 4.45Å; W3-Y7 WeakPolarHBondContact O-CD2 3.29Å; W3-Y7 PolarHBondContact O-N 2.71Å; D4-Y7 PolarHBondContact O-N 3.47Å; Y7-R9 PolarHBondContact O-N 3.33Å; Y7-L10 HydrophobicContact CD1-CD2 4.48Å; Y7-L10 PolarHBondContact O-N 3.4Å; Y7-E11 WeakPolarHBondContact O-CB 3.38Å; Y7-E11 PolarHBondContact O-N 3.48Å
8	N	95.3	Very high	92.6	Very high	103 Å²	103	119.1 Å²	119.1	55%	0.551	55%	0.552	S	S	*	*	H	α-helix	trans	-62.1	-40.3	174.4	-75.7	-39.1	0	0	0	112.5	D4 Y6 G12	D4-N8 WeakPolarHBondContact O-CB 3.29Å; D4-N8 VanDerWaalsContact O-CG 3.25Å; D4-N8 PolarHBondContact O-N 2.98Å; D4-N8 PolarHBondContact O-ND2 3.45Å; Y6-N8 PolarHBondContact O-N 3.19Å; N8-G12 PolarHBondContact O-N 2.97Å
9	R	93.4	Very high	92.6	Very high	161 Å²	161	117.2 Å²	117.2	61%	0.608	55%	0.546	S	S	*	.	H	α-helix	trans	-65.6	-40.4	173.6	-79.3	-173.8	-66.1	-110.9	-9.2	111.8	S5 Y6 Y7 W13	S5-R9 WeakPolarHBondContact O-CB 3.34Å; S5-R9 WeakPolarHBondContact O-CG 3.3Å; S5-R9 PolarHBondContact O-N 3Å; S5-R9 VanDerWaalsContact O-N 3.11Å; S5-R9 PolarHBondContact O-NE 3.4Å; S5-R9 PolarHBondContact OG-NH2 3.3Å; Y6-R9 PolarHBondContact O-N 3.45Å; Y7-R9 PolarHBondContact O-N 3.33Å; R9-W13 WeakPolarHBondContact O-CB 3.31Å; R9-W13 PolarHBondContact O-N 3.4Å
10	L	94.2	Very high	92.6	Very high	73 Å²	73	113 Å²	113	38%	0.382	54%	0.536	S	S	.	.	H	α-helix	trans	-65.5	-47.5	178.5	-172.7	71.7	0	0	0	111	Y6 Y7 G12 W13 V14	Y6-L10 HydrophobicContact CE1-CD2 4.46Å; Y6-L10 WeakPolarHBondContact O-CB 3.49Å; Y6-L10 PolarHBondContact O-N 3.13Å; Y7-L10 HydrophobicContact CD1-CD2 4.48Å; Y7-L10 PolarHBondContact O-N 3.4Å; L10-G12 PolarHBondContact O-N 3.28Å; L10-W13 PolarHBondContact O-N 2.9Å; L10-V14 WeakPolarHBondContact O-CG2 3.34Å; L10-V14 PolarHBondContact O-N 3.48Å
11	E	95	Very high	92.6	Very high	132 Å²	132	112.1 Å²	112.1	62%	0.617	54%	0.538	S	S	*	.	H	α-helix	trans	-60.7	-45.6	177	-174.4	-179.4	-172.7	0	0	111.3	Y7 W13 V14 K15	Y7-E11 WeakPolarHBondContact O-CB 3.38Å; Y7-E11 PolarHBondContact O-N 3.48Å; E11-W13 VanDerWaalsContact C-N 3.3Å; E11-W13 PolarHBondContact O-N 2.88Å; E11-V14 PolarHBondContact O-N 2.9Å; E11-K15 WeakPolarHBondContact O-CB 3.26Å; E11-K15 PolarHBondContact O-N 3.1Å
12	G	95.1	Very high	93.5	Very high	43 Å²	43	103.9 Å²	103.9	44%	0.443	50%	0.501	S	S	.	.	H	α-helix	trans	-59.3	-40.2	174.7	0	0	0	0	0	112.6	N8 L10 K16	N8-G12 PolarHBondContact O-N 2.97Å; L10-G12 PolarHBondContact O-N 3.28Å; G12-K16 WeakPolarHBondContact O-CB 3.16Å; G12-K16 PolarHBondContact O-N 3.27Å; G12-K16 VanDerWaalsContact O-N 3.09Å
13	W	94.5	Very high	93.7	Very high	152 Å²	152	101.5 Å²	101.5	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-66.7	-47.2	175.2	-179.2	88.4	0	0	0	112	R9 L10 E11 K15 K16 Q17	R9-W13 WeakPolarHBondContact O-CB 3.31Å; R9-W13 PolarHBondContact O-N 3.4Å; L10-W13 PolarHBondContact O-N 2.9Å; E11-W13 VanDerWaalsContact C-N 3.3Å; E11-W13 PolarHBondContact O-N 2.88Å; W13-K15 PolarHBondContact O-N 3.26Å; W13-K16 WeakPolarHBondContact O-CB 3.49Å; W13-K16 PolarHBondContact O-N 3.03Å; W13-Q17 HydrophobicContact CD2-CG 4.06Å; W13-Q17 HydrophobicContact CE3-CG 4.22Å; W13-Q17 HydrophobicContact CH2-CG 3.99Å; W13-Q17 HydrophobicContact CZ2-CG 3.81Å; W13-Q17 HydrophobicContact CZ3-CG 4.19Å; W13-Q17 WeakPolarHBondContact O-CG 3.37Å; W13-Q17 PolarHBondContact O-N 3.47Å
14	V	95.4	Very high	93.6	Very high	78 Å²	78	98.7 Å²	98.7	47%	0.473	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-46	178.5	171.4	0	0	0	0	111	L10 E11 K16 Q17 Y18	L10-V14 WeakPolarHBondContact O-CG2 3.34Å; L10-V14 PolarHBondContact O-N 3.48Å; E11-V14 PolarHBondContact O-N 2.9Å; V14-K16 VanDerWaalsContact C-N 3.32Å; V14-K16 PolarHBondContact O-N 2.91Å; V14-Q17 WeakPolarHBondContact O-CB 3.42Å; V14-Q17 PolarHBondContact O-N 3.49Å; V14-Q17 VanDerWaalsContact O-N 3.14Å; V14-Y18 PolarHBondContact O-N 3.45Å
15	K	95	Very high	93.6	Very high	133 Å²	133	98.6 Å²	98.6	58%	0.578	49%	0.487	S	S	*	.	H	α-helix	trans	-60	-43.2	177.3	-171.9	173.2	-177.7	175.6	0	111.5	E11 W13 Q17 Y18 D19	E11-K15 WeakPolarHBondContact O-CB 3.26Å; E11-K15 PolarHBondContact O-N 3.1Å; W13-K15 PolarHBondContact O-N 3.26Å; K15-Q17 VanDerWaalsContact C-N 3.33Å; K15-Q17 PolarHBondContact O-N 3.16Å; K15-Y18 PolarHBondContact O-N 3.35Å; K15-D19 WeakPolarHBondContact O-CB 3.42Å; K15-D19 VanDerWaalsContact O-CG 3.31Å; K15-D19 PolarHBondContact O-N 2.66Å
16	K	93.8	Very high	93.6	Very high	158 Å²	158	104 Å²	104	69%	0.687	50%	0.502	S	S	*	.	H	α-helix	trans	-62.2	-38.3	175.4	-169.7	177.1	-177.8	178.1	0	112.5	G12 W13 V14 G20	G12-K16 WeakPolarHBondContact O-CB 3.16Å; G12-K16 PolarHBondContact O-N 3.27Å; G12-K16 VanDerWaalsContact O-N 3.09Å; W13-K16 WeakPolarHBondContact O-CB 3.49Å; W13-K16 PolarHBondContact O-N 3.03Å; V14-K16 VanDerWaalsContact C-N 3.32Å; V14-K16 PolarHBondContact O-N 2.91Å; K16-G20 PolarHBondContact O-N 3.1Å
17	Q	91.9	Very high	93.6	Very high	94 Å²	94	107.2 Å²	107.2	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-45.5	174.2	-65.7	-52.8	-41.3	0	0	111.5	W13 V14 K15 G20 V21	W13-Q17 HydrophobicContact CD2-CG 4.06Å; W13-Q17 HydrophobicContact CE3-CG 4.22Å; W13-Q17 HydrophobicContact CH2-CG 3.99Å; W13-Q17 HydrophobicContact CZ2-CG 3.81Å; W13-Q17 HydrophobicContact CZ3-CG 4.19Å; W13-Q17 WeakPolarHBondContact O-CG 3.37Å; W13-Q17 PolarHBondContact O-N 3.47Å; V14-Q17 WeakPolarHBondContact O-CB 3.42Å; V14-Q17 PolarHBondContact O-N 3.49Å; V14-Q17 VanDerWaalsContact O-N 3.14Å; K15-Q17 VanDerWaalsContact C-N 3.33Å; K15-Q17 PolarHBondContact O-N 3.16Å; Q17-G20 PolarHBondContact O-N 3.31Å; Q17-V21 WeakPolarHBondContact O-CG2 3.2Å; Q17-V21 PolarHBondContact O-N 3.01Å
18	Y	94.3	Very high	93.5	Very high	170 Å²	170	105.5 Å²	105.5	67%	0.667	51%	0.513	S	S	*	.	H	α-helix	trans	-61.3	-47.8	178.2	-175.8	-94.9	0	0	0	112	V14 K15 G20 V21 A22	V14-Y18 PolarHBondContact O-N 3.45Å; K15-Y18 PolarHBondContact O-N 3.35Å; Y18-G20 VanDerWaalsContact C-N 3.29Å; Y18-G20 PolarHBondContact O-N 3.09Å; Y18-V21 PolarHBondContact O-N 3.47Å; Y18-A22 WeakPolarHBondContact O-CB 3.47Å; Y18-A22 PolarHBondContact O-N 3.15Å
19	D	94.1	Very high	93.5	Very high	82 Å²	82	105 Å²	105	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-62.5	-38	176.9	-70.9	-23.3	0	0	0	111.5	K15 S23	K15-D19 WeakPolarHBondContact O-CB 3.42Å; K15-D19 VanDerWaalsContact O-CG 3.31Å; K15-D19 PolarHBondContact O-N 2.66Å; D19-S23 VanDerWaalsContact O-CB 3.29Å; D19-S23 WeakPolarHBondContact O-CB 3.39Å; D19-S23 PolarHBondContact O-N 2.77Å; D19-S23 PolarHBondContact O-OG 2.88Å
20	G	92.6	Very high	93.5	Very high	34 Å²	34	102.3 Å²	102.3	35%	0.351	51%	0.505	S	S	.	.	H	α-helix	trans	-57.9	-53.5	172.8	0	0	0	0	0	112	K16 Q17 Y18 S23 V24	K16-G20 PolarHBondContact O-N 3.1Å; Q17-G20 PolarHBondContact O-N 3.31Å; Y18-G20 VanDerWaalsContact C-N 3.29Å; Y18-G20 PolarHBondContact O-N 3.09Å; G20-S23 PolarHBondContact O-N 3.49Å; G20-S23 PolarHBondContact O-OG 3.23Å; G20-V24 WeakPolarHBondContact O-CG2 3.49Å; G20-V24 PolarHBondContact O-N 3.49Å; G20-V24 VanDerWaalsContact O-N 3.13Å
21	V	92.4	Very high	93.4	Very high	95 Å²	95	101.8 Å²	101.8	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-62.3	-46.5	178.6	174.1	0	0	0	0	111.3	Q17 Y18 S23 V24 Q25	Q17-V21 WeakPolarHBondContact O-CG2 3.2Å; Q17-V21 PolarHBondContact O-N 3.01Å; Y18-V21 PolarHBondContact O-N 3.47Å; V21-S23 VanDerWaalsContact C-N 3.25Å; V21-S23 PolarHBondContact O-N 2.74Å; V21-V24 PolarHBondContact O-N 2.93Å; V21-V24 VanDerWaalsContact O-N 3.14Å; V21-Q25 PolarHBondContact O-N 3.18Å
22	A	92.1	Very high	93.4	Very high	25 Å²	25	100.2 Å²	100.2	21%	0.207	50%	0.503	C	S	.	.	H	α-helix	trans	-62.8	-31.6	178.6	0	0	0	0	0	112.6	Y18 R26	Y18-A22 WeakPolarHBondContact O-CB 3.47Å; Y18-A22 PolarHBondContact O-N 3.15Å; A22-R26 WeakPolarHBondContact O-CG 3.48Å; A22-R26 PolarHBondContact O-N 3.35Å; A22-R26 VanDerWaalsContact O-N 3.13Å; A22-R26 PolarHBondContact O-NE 2.93Å
23	S	92.6	Very high	93.3	Very high	48 Å²	48	102.5 Å²	102.5	34%	0.336	50%	0.504	S	S	.	.	H	α-helix	trans	-70.3	-39.9	174.4	78.7	0	0	0	0	112.2	D19 G20 V21 R27	D19-S23 VanDerWaalsContact O-CB 3.29Å; D19-S23 WeakPolarHBondContact O-CB 3.39Å; D19-S23 PolarHBondContact O-N 2.77Å; D19-S23 PolarHBondContact O-OG 2.88Å; G20-S23 PolarHBondContact O-N 3.49Å; G20-S23 PolarHBondContact O-OG 3.23Å; V21-S23 VanDerWaalsContact C-N 3.25Å; V21-S23 PolarHBondContact O-N 2.74Å; S23-R27 VanDerWaalsContact O-CG 3.32Å; S23-R27 WeakPolarHBondContact O-CG 3.44Å; S23-R27 PolarHBondContact O-N 3.5Å
24	V	90.5	Very high	93.1	Very high	86 Å²	86	101.9 Å²	101.9	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-66.6	-44	176.7	173.2	0	0	0	0	110.3	G20 V21 R26 R27 L28	G20-V24 WeakPolarHBondContact O-CG2 3.49Å; G20-V24 PolarHBondContact O-N 3.49Å; G20-V24 VanDerWaalsContact O-N 3.13Å; V21-V24 PolarHBondContact O-N 2.93Å; V21-V24 VanDerWaalsContact O-N 3.14Å; V24-R26 PolarHBondContact O-N 3.37Å; V24-R27 PolarHBondContact O-N 3.43Å; V24-L28 PolarHBondContact O-N 2.95Å
25	Q	93	Very high	92.9	Very high	112 Å²	112	104 Å²	104	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-58.5	-49.4	176.7	-174.5	179.4	-34.1	0	0	111.4	V21 R27 L28 E29	V21-Q25 PolarHBondContact O-N 3.18Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 3.24Å; Q25-L28 PolarHBondContact O-N 2.69Å; Q25-L28 VanDerWaalsContact O-N 3.14Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.28Å; Q25-E29 PolarHBondContact NE2-OE1 3.39Å; Q25-E29 WeakPolarHBondContact O-CG 3.42Å; Q25-E29 PolarHBondContact O-N 3.43Å
26	R	93.9	Very high	92.8	Very high	148 Å²	148	103.9 Å²	103.9	56%	0.558	51%	0.514	S	S	*	.	H	α-helix	trans	-60.5	-39.7	176.2	-79.9	-177.4	-76.4	149.1	-9.5	113.1	A22 V24 L28 N30	A22-R26 WeakPolarHBondContact O-CG 3.48Å; A22-R26 PolarHBondContact O-N 3.35Å; A22-R26 VanDerWaalsContact O-N 3.13Å; A22-R26 PolarHBondContact O-NE 2.93Å; V24-R26 PolarHBondContact O-N 3.37Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 2.81Å; R26-N30 WeakPolarHBondContact O-CB 3.06Å; R26-N30 PolarHBondContact O-N 3.34Å; R26-N30 PolarHBondContact O-ND2 3.25Å
27	R	92.6	Very high	92.7	Very high	184 Å²	184	103.4 Å²	103.4	69%	0.694	51%	0.512	S	S	*	.	H	α-helix	trans	-62.8	-40.1	175.6	-77	176	65.2	-162.4	-1	111.7	S23 V24 Q25 S31	S23-R27 VanDerWaalsContact O-CG 3.32Å; S23-R27 WeakPolarHBondContact O-CG 3.44Å; S23-R27 PolarHBondContact O-N 3.5Å; V24-R27 PolarHBondContact O-N 3.43Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 3.24Å; R27-S31 VanDerWaalsContact O-CB 3.32Å; R27-S31 WeakPolarHBondContact O-CB 3.21Å; R27-S31 PolarHBondContact O-N 2.91Å
28	L	93	Very high	92.6	Very high	105 Å²	105	106.1 Å²	106.1	55%	0.55	52%	0.519	S	S	.	.	H	α-helix	trans	-69.5	-45.8	179.3	-168.6	128.9	0	0	0	111.5	V24 Q25 R26 N30 S31 L32	V24-L28 PolarHBondContact O-N 2.95Å; Q25-L28 PolarHBondContact O-N 2.69Å; Q25-L28 VanDerWaalsContact O-N 3.14Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 2.81Å; L28-N30 PolarHBondContact O-N 3.35Å; L28-S31 PolarHBondContact O-N 3.49Å; L28-L32 HydrophobicContact CD2-CD1 3.92Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 3.35Å
29	E	93.5	Very high	92.5	Very high	93 Å²	93	103.7 Å²	103.7	44%	0.435	52%	0.517	S	S	.	.	H	α-helix	trans	-58.7	-45.6	174.6	-71.9	171.7	-171.1	0	0	111.6	Q25 S31 L32 L33	Q25-E29 WeakPolarHBondContact CG-OE1 3.28Å; Q25-E29 PolarHBondContact NE2-OE1 3.39Å; Q25-E29 WeakPolarHBondContact O-CG 3.42Å; Q25-E29 PolarHBondContact O-N 3.43Å; E29-S31 PolarHBondContact O-N 2.87Å; E29-L32 PolarHBondContact O-N 3.24Å; E29-L33 WeakPolarHBondContact O-CG 3.37Å; E29-L33 PolarHBondContact O-N 2.91Å
30	N	94.5	Very high	92.4	Very high	103 Å²	103	103.2 Å²	103.2	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-63.2	-40.2	176.3	-73.8	-19.3	0	0	0	112.4	R26 L28 L33 E34	R26-N30 WeakPolarHBondContact O-CB 3.06Å; R26-N30 PolarHBondContact O-N 3.34Å; R26-N30 PolarHBondContact O-ND2 3.25Å; L28-N30 PolarHBondContact O-N 3.35Å; N30-L33 PolarHBondContact O-N 3.47Å; N30-E34 WeakPolarHBondContact O-CB 3.47Å; N30-E34 PolarHBondContact O-N 2.98Å
31	S	92.1	Very high	92.4	Very high	63 Å²	63	104.2 Å²	104.2	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-39.9	177.2	-177.9	0	0	0	0	112.1	R27 L28 E29 E34 Q35	R27-S31 VanDerWaalsContact O-CB 3.32Å; R27-S31 WeakPolarHBondContact O-CB 3.21Å; R27-S31 PolarHBondContact O-N 2.91Å; L28-S31 PolarHBondContact O-N 3.49Å; E29-S31 PolarHBondContact O-N 2.87Å; S31-E34 PolarHBondContact O-N 3.44Å; S31-Q35 PolarHBondContact O-N 3.39Å
32	L	93.6	Very high	92.3	Very high	99 Å²	99	103.1 Å²	103.1	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-43.2	174.9	-72.8	177.9	0	0	0	111.8	L28 E29 E34 Q35 Q36	L28-L32 HydrophobicContact CD2-CD1 3.92Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 3.35Å; E29-L32 PolarHBondContact O-N 3.24Å; L32-E34 VanDerWaalsContact C-N 3.35Å; L32-Q35 PolarHBondContact O-N 2.97Å; L32-Q36 PolarHBondContact O-N 3.48Å
33	L	94.2	Very high	92.2	Very high	90 Å²	90	104.9 Å²	104.9	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-64	-39.4	175.4	-71.8	173.3	0	0	0	112.1	E29 N30 Q36 K37	E29-L33 WeakPolarHBondContact O-CG 3.37Å; E29-L33 PolarHBondContact O-N 2.91Å; N30-L33 PolarHBondContact O-N 3.47Å; L33-Q36 PolarHBondContact O-N 2.86Å; L33-K37 WeakPolarHBondContact O-CG 3.23Å; L33-K37 PolarHBondContact O-N 3.14Å
34	E	90.9	Very high	92.1	Very high	140 Å²	140	107.5 Å²	107.5	65%	0.654	54%	0.54	S	S	*	.	H	α-helix	trans	-65.1	-42.4	175.4	-170.4	174.1	-172.7	0	0	111.5	N30 S31 L32 Q36 K37 Y38	N30-E34 WeakPolarHBondContact O-CB 3.47Å; N30-E34 PolarHBondContact O-N 2.98Å; S31-E34 PolarHBondContact O-N 3.44Å; L32-E34 VanDerWaalsContact C-N 3.35Å; E34-Q36 VanDerWaalsContact C-N 3.35Å; E34-Q36 PolarHBondContact O-N 2.95Å; E34-K37 PolarHBondContact O-N 2.95Å; E34-Y38 WeakPolarHBondContact O-CB 3.32Å; E34-Y38 PolarHBondContact O-N 3.43Å
35	Q	90.6	Very high	92	Very high	122 Å²	122	106 Å²	106	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-60.4	-43.4	171.8	-80.9	-156.6	-37	0	0	112.1	S31 L32 K37 Y38 L39	S31-Q35 PolarHBondContact O-N 3.39Å; L32-Q35 PolarHBondContact O-N 2.97Å; Q35-K37 PolarHBondContact O-N 2.75Å; Q35-Y38 WeakPolarHBondContact O-CB 3.33Å; Q35-Y38 PolarHBondContact O-N 3.28Å; Q35-L39 VanDerWaalsContact O-CG 3.32Å; Q35-L39 WeakPolarHBondContact O-CG 3.5Å; Q35-L39 PolarHBondContact O-N 3.32Å
36	Q	92.4	Very high	91.6	Very high	130 Å²	130	105.2 Å²	105.2	61%	0.607	54%	0.536	S	S	*	.	H	α-helix	trans	-62.7	-43	177.3	-174.8	178.1	-15.3	0	0	111.7	L32 L33 E34 L39 S40	L32-Q36 PolarHBondContact O-N 3.48Å; L33-Q36 PolarHBondContact O-N 2.86Å; E34-Q36 VanDerWaalsContact C-N 3.35Å; E34-Q36 PolarHBondContact O-N 2.95Å; Q36-L39 PolarHBondContact O-N 3.47Å; Q36-S40 WeakPolarHBondContact O-CB 3.42Å; Q36-S40 PolarHBondContact O-N 2.99Å; Q36-S40 PolarHBondContact O-OG 3.46Å
37	K	92.1	Very high	91.3	Very high	149 Å²	149	105.7 Å²	105.7	65%	0.648	54%	0.542	S	S	*	.	H	α-helix	trans	-59.3	-47.3	173.6	-74.6	174.1	-176.4	177.3	0	110.9	L33 E34 Q35 L39 S40 A41	L33-K37 WeakPolarHBondContact O-CG 3.23Å; L33-K37 PolarHBondContact O-N 3.14Å; E34-K37 PolarHBondContact O-N 2.95Å; Q35-K37 PolarHBondContact O-N 2.75Å; K37-L39 PolarHBondContact O-N 3.45Å; K37-S40 PolarHBondContact O-N 2.84Å; K37-S40 PolarHBondContact O-OG 2.98Å; K37-A41 VanDerWaalsContact O-CB 3.29Å; K37-A41 WeakPolarHBondContact O-CB 3.17Å; K37-A41 PolarHBondContact O-N 3.31Å
38	Y	90.4	Very high	91.1	Very high	150 Å²	150	103 Å²	103	59%	0.588	54%	0.535	S	S	*	.	H	α-helix	trans	-58.1	-46.2	177.2	-179.1	-98.2	0	0	0	112.4	E34 Q35 A41 N42	E34-Y38 WeakPolarHBondContact O-CB 3.32Å; E34-Y38 PolarHBondContact O-N 3.43Å; Q35-Y38 WeakPolarHBondContact O-CB 3.33Å; Q35-Y38 PolarHBondContact O-N 3.28Å; Y38-A41 PolarHBondContact O-N 2.65Å; Y38-N42 WeakPolarHBondContact CE1-ND2 3.36Å; Y38-N42 WeakPolarHBondContact O-CB 3.3Å; Y38-N42 PolarHBondContact O-N 2.93Å; Y38-N42 PolarHBondContact OH-ND2 3.01Å
39	L	91	Very high	90.6	Very high	119 Å²	119	102.8 Å²	102.8	62%	0.623	53%	0.528	S	S	*	.	H	α-helix	trans	-62.5	-45.4	177.6	-70.7	174.4	0	0	0	112.1	Q35 Q36 K37 N42 A43	Q35-L39 VanDerWaalsContact O-CG 3.32Å; Q35-L39 WeakPolarHBondContact O-CG 3.5Å; Q35-L39 PolarHBondContact O-N 3.32Å; Q36-L39 PolarHBondContact O-N 3.47Å; K37-L39 PolarHBondContact O-N 3.45Å; L39-N42 PolarHBondContact O-N 2.94Å; L39-A43 WeakPolarHBondContact O-CB 3.3Å; L39-A43 PolarHBondContact O-N 3.42Å
40	S	93.1	Very high	90	Very high	73 Å²	73	103.7 Å²	103.7	51%	0.51	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-40.1	178.5	69.3	0	0	0	0	112.7	Q36 K37 A43 L44	Q36-S40 WeakPolarHBondContact O-CB 3.42Å; Q36-S40 PolarHBondContact O-N 2.99Å; Q36-S40 PolarHBondContact O-OG 3.46Å; K37-S40 PolarHBondContact O-N 2.84Å; K37-S40 PolarHBondContact O-OG 2.98Å; S40-A43 PolarHBondContact O-N 3.46Å; S40-L44 PolarHBondContact O-N 3.47Å
41	A	91.5	Very high	89.6	Confident	55 Å²	55	105.6 Å²	105.6	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-43.6	176.1	0	0	0	0	0	111.2	K37 Y38 L44 A45	K37-A41 VanDerWaalsContact O-CB 3.29Å; K37-A41 WeakPolarHBondContact O-CB 3.17Å; K37-A41 PolarHBondContact O-N 3.31Å; Y38-A41 PolarHBondContact O-N 2.65Å; A41-L44 PolarHBondContact O-N 2.78Å; A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 3.37Å
42	N	91	Very high	89.1	Confident	72 Å²	72	109 Å²	109	39%	0.385	55%	0.545	S	S	.	.	H	α-helix	trans	-63.3	-41.5	175	-82.7	-2	0	0	0	112.3	Y38 L39 L44 A45 L46	Y38-N42 WeakPolarHBondContact CE1-ND2 3.36Å; Y38-N42 WeakPolarHBondContact O-CB 3.3Å; Y38-N42 PolarHBondContact O-N 2.93Å; Y38-N42 PolarHBondContact OH-ND2 3.01Å; L39-N42 PolarHBondContact O-N 2.94Å; N42-L44 VanDerWaalsContact C-N 3.34Å; N42-L44 PolarHBondContact O-N 3Å; N42-A45 PolarHBondContact O-N 3Å; N42-L46 VanDerWaalsContact O-CB 3.3Å; N42-L46 WeakPolarHBondContact O-CB 3.32Å; N42-L46 PolarHBondContact O-N 3.45Å
43	A	89.6	Confident	88.3	Confident	62 Å²	62	105.7 Å²	105.7	51%	0.512	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-41.4	176.6	0	0	0	0	0	111.8	L39 S40 K47	L39-A43 WeakPolarHBondContact O-CB 3.3Å; L39-A43 PolarHBondContact O-N 3.42Å; S40-A43 PolarHBondContact O-N 3.46Å; A43-K47 PolarHBondContact O-N 3.37Å
44	L	90.8	Very high	87.6	Confident	102 Å²	102	102.8 Å²	102.8	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-68.8	-44.2	176.6	-173.2	152.2	0	0	0	111.9	S40 A41 N42 L46 K47 K48	S40-L44 PolarHBondContact O-N 3.47Å; A41-L44 PolarHBondContact O-N 2.78Å; N42-L44 VanDerWaalsContact C-N 3.34Å; N42-L44 PolarHBondContact O-N 3Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 2.86Å; L44-K47 WeakPolarHBondContact O-CB 3.5Å; L44-K47 PolarHBondContact O-N 3.05Å; L44-K47 VanDerWaalsContact O-N 3.15Å; L44-K48 HydrophobicContact CD2-CD 3.9Å; L44-K48 HydrophobicContact CD2-CG 4.2Å; L44-K48 PolarHBondContact O-N 3.27Å
45	A	88.5	Confident	87.2	Confident	54 Å²	54	101.3 Å²	101.3	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-59.1	-43.3	175.9	0	0	0	0	0	111.1	A41 N42 K47 K48 Y49	A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 3.37Å; N42-A45 PolarHBondContact O-N 3Å; A45-K47 VanDerWaalsContact C-N 3.33Å; A45-K47 PolarHBondContact O-N 3.07Å; A45-K48 PolarHBondContact O-N 2.85Å; A45-Y49 VanDerWaalsContact O-CB 3.29Å; A45-Y49 WeakPolarHBondContact O-CB 3.27Å; A45-Y49 PolarHBondContact O-N 2.81Å
46	L	85	Confident	86.6	Confident	97 Å²	97	101 Å²	101	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-39.9	175	-176	64.4	0	0	0	112	N42 L44 Y49 K50	N42-L46 VanDerWaalsContact O-CB 3.3Å; N42-L46 WeakPolarHBondContact O-CB 3.32Å; N42-L46 PolarHBondContact O-N 3.45Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 2.86Å; L46-Y49 PolarHBondContact O-N 2.84Å; L46-K50 WeakPolarHBondContact O-CG 3.29Å; L46-K50 PolarHBondContact O-N 3.41Å
47	K	87.4	Confident	85.7	Confident	158 Å²	158	97.3 Å²	97.3	69%	0.687	50%	0.495	S	S	*	.	H	α-helix	trans	-64.8	-45.1	176.7	-170.4	178.8	-179.9	-179.4	0	111.9	A43 L44 A45 K50 Q51	A43-K47 PolarHBondContact O-N 3.37Å; L44-K47 WeakPolarHBondContact O-CB 3.5Å; L44-K47 PolarHBondContact O-N 3.05Å; L44-K47 VanDerWaalsContact O-N 3.15Å; A45-K47 VanDerWaalsContact C-N 3.33Å; A45-K47 PolarHBondContact O-N 3.07Å; K47-K50 PolarHBondContact O-N 3.16Å; K47-Q51 PolarHBondContact O-N 2.56Å; K47-Q51 VanDerWaalsContact O-N 3.09Å
48	K	87.3	Confident	85	Confident	126 Å²	126	93.5 Å²	93.5	55%	0.548	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-45.5	175.1	-77.5	-172.1	172.9	-177.2	0	111.7	L44 A45 K50 Q51 E52	L44-K48 HydrophobicContact CD2-CD 3.9Å; L44-K48 HydrophobicContact CD2-CG 4.2Å; L44-K48 PolarHBondContact O-N 3.27Å; A45-K48 PolarHBondContact O-N 2.85Å; K48-K50 PolarHBondContact O-N 3Å; K48-Q51 WeakPolarHBondContact O-CB 3.41Å; K48-Q51 PolarHBondContact O-N 2.86Å; K48-Q51 VanDerWaalsContact O-N 3.1Å; K48-E52 PolarHBondContact O-N 2.79Å
49	Y	82.1	Confident	84.5	Confident	101 Å²	101	90.3 Å²	90.3	40%	0.396	48%	0.479	S	S	.	.	H	α-helix	trans	-57.5	-48.1	176.4	178.3	-101	0	0	0	111.5	A45 L46 Q51 E52 M53 P233	A45-Y49 VanDerWaalsContact O-CB 3.29Å; A45-Y49 WeakPolarHBondContact O-CB 3.27Å; A45-Y49 PolarHBondContact O-N 2.81Å; L46-Y49 PolarHBondContact O-N 2.84Å; Y49-Q51 VanDerWaalsContact C-N 3.27Å; Y49-Q51 PolarHBondContact O-N 3.1Å; Y49-E52 PolarHBondContact O-N 3.27Å; Y49-M53 HydrophobicContact CD1-CG 4.12Å; Y49-M53 HydrophobicContact CD2-CG 4.13Å; Y49-M53 HydrophobicContact CE1-CG 3.73Å; Y49-M53 HydrophobicContact CE2-CG 3.73Å; Y49-M53 HydrophobicContact CE2-SD 3.93Å; Y49-M53 HydrophobicContact CG-CG 4.31Å; Y49-M53 WeakPolarHBondContact O-CB 3.47Å; Y49-M53 WeakPolarHBondContact O-CG 3.4Å; Y49-M53 PolarHBondContact O-N 3.05Å; Y49-P233 VanDerWaalsContact OH-CG 3.32Å; Y49-P233 WeakPolarHBondContact OH-CG 3.35Å
50	K	82	Confident	83.6	Confident	113 Å²	113	90.1 Å²	90.1	49%	0.491	47%	0.471	S	S	.	.	H	α-helix	trans	-57.8	-39.5	175.3	-76.4	-175.8	177.5	-165.5	0	112.7	L46 K47 K48 G54	L46-K50 WeakPolarHBondContact O-CG 3.29Å; L46-K50 PolarHBondContact O-N 3.41Å; K47-K50 PolarHBondContact O-N 3.16Å; K48-K50 PolarHBondContact O-N 3Å; K50-G54 PolarHBondContact O-N 2.84Å
51	Q	85.6	Confident	82.6	Confident	143 Å²	143	89.1 Å²	89.1	67%	0.668	46%	0.464	S	S	*	.	H	α-helix	trans	-67.8	-46.7	178.1	-175.3	179.7	-6.3	0	0	112.3	K47 K48 Y49 M53 G54 L55	K47-Q51 PolarHBondContact O-N 2.56Å; K47-Q51 VanDerWaalsContact O-N 3.09Å; K48-Q51 WeakPolarHBondContact O-CB 3.41Å; K48-Q51 PolarHBondContact O-N 2.86Å; K48-Q51 VanDerWaalsContact O-N 3.1Å; Y49-Q51 VanDerWaalsContact C-N 3.27Å; Y49-Q51 PolarHBondContact O-N 3.1Å; Q51-M53 VanDerWaalsContact C-N 3.34Å; Q51-G54 PolarHBondContact O-N 2.82Å; Q51-L55 PolarHBondContact O-N 3.38Å
52	E	81.3	Confident	81.5	Confident	134 Å²	134	95.5 Å²	95.5	63%	0.626	48%	0.476	S	S	*	.	H	α-helix	trans	-63.3	-40.7	176.8	-73.7	-177.9	175.5	0	0	111.6	K48 Y49 L55 F56	K48-E52 PolarHBondContact O-N 2.79Å; Y49-E52 PolarHBondContact O-N 3.27Å; E52-L55 PolarHBondContact O-N 3.21Å; E52-F56 PolarHBondContact O-N 3.01Å
53	M	76.7	Confident	80.2	Confident	30 Å²	30	96.9 Å²	96.9	15%	0.148	48%	0.484	C	S	.	.	H	α-helix	trans	-66.4	-39	176	-69.6	-56.3	-60.9	0	0	112.4	Y49 Q51 L55 F56 Q57 P233	Y49-M53 HydrophobicContact CD1-CG 4.12Å; Y49-M53 HydrophobicContact CD2-CG 4.13Å; Y49-M53 HydrophobicContact CE1-CG 3.73Å; Y49-M53 HydrophobicContact CE2-CG 3.73Å; Y49-M53 HydrophobicContact CE2-SD 3.93Å; Y49-M53 HydrophobicContact CG-CG 4.31Å; Y49-M53 WeakPolarHBondContact O-CB 3.47Å; Y49-M53 WeakPolarHBondContact O-CG 3.4Å; Y49-M53 PolarHBondContact O-N 3.05Å; Q51-M53 VanDerWaalsContact C-N 3.34Å; M53-L55 VanDerWaalsContact C-N 3.32Å; M53-L55 PolarHBondContact O-N 2.98Å; M53-F56 PolarHBondContact O-N 2.9Å; M53-Q57 WeakPolarHBondContact O-CB 3.41Å; M53-Q57 PolarHBondContact O-N 3.5Å; M53-P233 HydrophobicContact CE-CG 4.16Å; M53-P233 WeakPolarHBondContact CE-O 3.05Å
54	G	80.6	Confident	78.8	Confident	28 Å²	28	96.2 Å²	96.2	29%	0.289	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-38.6	173	0	0	0	0	0	112.6	K50 Q51 Q57 S58	K50-G54 PolarHBondContact O-N 2.84Å; Q51-G54 PolarHBondContact O-N 2.82Å; G54-Q57 WeakPolarHBondContact O-CB 3.28Å; G54-Q57 PolarHBondContact O-N 3.09Å; G54-S58 PolarHBondContact O-N 2.97Å; G54-S58 VanDerWaalsContact O-N 3.11Å
55	L	82.5	Confident	76.9	Confident	109 Å²	109	98.1 Å²	98.1	57%	0.571	49%	0.494	S	S	*	.	H	α-helix	trans	-65.5	-47	173.5	-177.1	127.4	0	0	0	111.3	Q51 E52 M53 Q57 S58 L59	Q51-L55 PolarHBondContact O-N 3.38Å; E52-L55 PolarHBondContact O-N 3.21Å; M53-L55 VanDerWaalsContact C-N 3.32Å; M53-L55 PolarHBondContact O-N 2.98Å; L55-Q57 VanDerWaalsContact C-N 3.26Å; L55-Q57 PolarHBondContact O-N 3.39Å; L55-S58 PolarHBondContact O-N 3.13Å; L55-S58 VanDerWaalsContact O-N 3.08Å; L55-S58 PolarHBondContact O-OG 2.93Å; L55-L59 HydrophobicContact CD2-CD1 3.79Å; L55-L59 HydrophobicContact CG-CD1 4.47Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 3.29Å
56	F	77	Confident	75.1	Confident	116 Å²	116	99.6 Å²	99.6	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-58	-40.1	175.6	-166.7	-91.6	0	0	0	111.9	E52 M53 S58 L59 Y60	E52-F56 PolarHBondContact O-N 3.01Å; M53-F56 PolarHBondContact O-N 2.9Å; F56-S58 VanDerWaalsContact C-N 3.35Å; F56-S58 PolarHBondContact O-N 2.82Å; F56-L59 PolarHBondContact O-N 3.16Å; F56-Y60 HydrophobicContact CE1-CD2 4.47Å; F56-Y60 WeakPolarHBondContact O-CB 3.42Å; F56-Y60 PolarHBondContact O-N 3.41Å
57	Q	73.8	Confident	73.2	Confident	53 Å²	53	99.6 Å²	99.6	25%	0.248	51%	0.509	C	S	.	.	H	α-helix	trans	-60.2	-41.7	174.5	-175.9	178.8	-7.1	0	0	112.5	M53 G54 L55 S61 F234	M53-Q57 WeakPolarHBondContact O-CB 3.41Å; M53-Q57 PolarHBondContact O-N 3.5Å; G54-Q57 WeakPolarHBondContact O-CB 3.28Å; G54-Q57 PolarHBondContact O-N 3.09Å; L55-Q57 VanDerWaalsContact C-N 3.26Å; L55-Q57 PolarHBondContact O-N 3.39Å; Q57-S61 WeakPolarHBondContact O-CB 3.48Å; Q57-S61 PolarHBondContact O-N 3.48Å; Q57-S61 PolarHBondContact O-OG 2.79Å; Q57-F234 HydrophobicContact CB-CD1 3.99Å; Q57-F234 HydrophobicContact CB-CE1 4.3Å; Q57-F234 HydrophobicContact CG-CD1 3.88Å; Q57-F234 HydrophobicContact CG-CE1 4.22Å
58	S	78.4	Confident	71.1	Confident	68 Å²	68	97.2 Å²	97.2	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-66.6	-38.8	177.4	75.5	0	0	0	0	112.2	G54 L55 F56 R62	G54-S58 PolarHBondContact O-N 2.97Å; G54-S58 VanDerWaalsContact O-N 3.11Å; L55-S58 PolarHBondContact O-N 3.13Å; L55-S58 VanDerWaalsContact O-N 3.08Å; L55-S58 PolarHBondContact O-OG 2.93Å; F56-S58 VanDerWaalsContact C-N 3.35Å; F56-S58 PolarHBondContact O-N 2.82Å; S58-R62 VanDerWaalsContact O-CB 3.29Å; S58-R62 WeakPolarHBondContact O-CB 3.49Å; S58-R62 PolarHBondContact O-N 3.26Å
59	L	79.2	Confident	68.9	Low	83 Å²	83	96.9 Å²	96.9	44%	0.435	53%	0.526	S	S	.	.	H	α-helix	trans	-69.5	-42.7	177.2	-67.1	175.6	0	0	0	111.9	L55 F56 R62 N63	L55-L59 HydrophobicContact CD2-CD1 3.79Å; L55-L59 HydrophobicContact CG-CD1 4.47Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 3.29Å; F56-L59 PolarHBondContact O-N 3.16Å; L59-R62 PolarHBondContact O-N 2.87Å; L59-N63 PolarHBondContact O-N 2.92Å
60	Y	72.6	Confident	66.7	Low	116 Å²	116	95.6 Å²	95.6	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-45	177.1	-169.8	-91	0	0	0	111.4	F56 N63 G64	F56-Y60 HydrophobicContact CE1-CD2 4.47Å; F56-Y60 WeakPolarHBondContact O-CB 3.42Å; F56-Y60 PolarHBondContact O-N 3.41Å; Y60-N63 PolarHBondContact O-N 3.28Å; Y60-G64 PolarHBondContact O-N 2.62Å
61	S	71.2	Confident	64.7	Low	51 Å²	51	96.3 Å²	96.3	36%	0.357	56%	0.562	S	S	.	*	H	α-helix	trans	-64.8	-41.7	178	-52.7	0	0	0	0	111.6	Q57 N63 G64 D65	Q57-S61 WeakPolarHBondContact O-CB 3.48Å; Q57-S61 PolarHBondContact O-N 3.48Å; Q57-S61 PolarHBondContact O-OG 2.79Å; S61-N63 PolarHBondContact O-N 2.96Å; S61-G64 PolarHBondContact O-N 3.41Å; S61-D65 PolarHBondContact O-N 3.16Å
62	R	69.5	Low	62.5	Low	189 Å²	189	98.3 Å²	98.3	71%	0.713	57%	0.572	S	S	*	*	H	α-helix	trans	-62.5	-40	176.4	176.4	177.9	159.3	173.9	-4.1	112.9	S58 L59	S58-R62 VanDerWaalsContact O-CB 3.29Å; S58-R62 WeakPolarHBondContact O-CB 3.49Å; S58-R62 PolarHBondContact O-N 3.26Å; L59-R62 PolarHBondContact O-N 2.87Å
63	N	63.4	Low	60.4	Low	102 Å²	102	97.1 Å²	97.1	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-72.8	-34.6	179	-77.3	-9.6	0	0	0	112.2	L59 Y60 S61 D65 S66	L59-N63 PolarHBondContact O-N 2.92Å; Y60-N63 PolarHBondContact O-N 3.28Å; S61-N63 PolarHBondContact O-N 2.96Å; N63-D65 VanDerWaalsContact C-N 3.26Å; N63-D65 PolarHBondContact O-N 3.03Å; N63-S66 PolarHBondContact O-N 3.4Å; N63-S66 VanDerWaalsContact O-N 3.09Å; N63-S66 PolarHBondContact O-OG 3.48Å
64	G	59	Low	58.4	Low	48 Å²	48	102.9 Å²	102.9	50%	0.495	61%	0.609	S	S	.	*	H	α-helix	trans	-58.9	-33.2	176.4	0	0	0	0	0	114	Y60 S61 S66	Y60-G64 PolarHBondContact O-N 2.62Å; S61-G64 PolarHBondContact O-N 3.41Å; G64-S66 VanDerWaalsContact C-N 3.34Å
65	D	52.3	Low	56.4	Low	142 Å²	142	110.3 Å²	110.3	76%	0.759	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-15.4	178	-68.9	-23	0	0	0	113.3	S61 N63	S61-D65 PolarHBondContact O-N 3.16Å; N63-D65 VanDerWaalsContact C-N 3.26Å; N63-D65 PolarHBondContact O-N 3.03Å
66	S	50.2	Low	54.2	Low	85 Å²	85	116 Å²	116	59%	0.594	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-4.8	-175.3	59.3	0	0	0	0	115.6	N63 G64 S68	N63-S66 PolarHBondContact O-N 3.4Å; N63-S66 VanDerWaalsContact O-N 3.09Å; N63-S66 PolarHBondContact O-OG 3.48Å; G64-S66 VanDerWaalsContact C-N 3.34Å; S66-S68 PolarHBondContact O-N 2.79Å
67	S	45.5	Very low	52.5	Low	97 Å²	97	121.4 Å²	121.4	68%	0.678	67%	0.667	S	S	*	*			trans	-98.8	64.6	173.6	51	0	0	0	0	111.6
68	S	42.9	Very low	51.3	Low	108 Å²	108	124.3 Å²	124.3	76%	0.755	69%	0.694	S	S	*	*	S	Bend	trans	-121	49.7	161.3	69.7	0	0	0	0	110.9	S66	S66-S68 PolarHBondContact O-N 2.79Å
69	S	40.2	Very low	50.2	Low	119 Å²	119	122.8 Å²	122.8	83%	0.832	69%	0.685	S	S	*	*	S	Bend	trans	-176.9	95.9	159.3	52.7	0	0	0	0	109.3
70	G	36.7	Very low	49.5	Very low	73 Å²	73	122.8 Å²	122.8	75%	0.753	69%	0.69	S	S	*	*			trans	171.3	81.7	178.4	0	0	0	0	0	112.1	Q72	G70-Q72 PolarHBondContact O-N 3.47Å; G70-Q72 VanDerWaalsContact O-N 3.07Å
71	S	39.3	Very low	49.6	Very low	129 Å²	129	119.9 Å²	119.9	90%	0.902	69%	0.687	S	S	*	*			trans	-63.4	100.8	170.2	-47.4	0	0	0	0	109.6
72	Q	39.3	Very low	50	Low	185 Å²	185	122.3 Å²	122.3	86%	0.864	69%	0.688	S	S	*	*			trans	-147.9	125.3	159	-120	173	-1.5	0	0	110.6	G70 D74	G70-Q72 PolarHBondContact O-N 3.47Å; G70-Q72 VanDerWaalsContact O-N 3.07Å; Q72-D74 PolarHBondContact O-N 3.29Å
73	S	37.8	Very low	50.6	Low	108 Å²	108	118.1 Å²	118.1	76%	0.755	67%	0.672	S	S	*	*			trans	-61.9	105.4	-179.9	47.7	0	0	0	0	111.9
74	D	36.2	Very low	51.7	Low	152 Å²	152	113.9 Å²	113.9	81%	0.813	65%	0.649	S	S	*	*			trans	-125.9	96	153.5	-93	-38.5	0	0	0	108.2	Q72 R76	Q72-D74 PolarHBondContact O-N 3.29Å; D74-R76 PolarHBondContact O-N 2.73Å
75	E	36.9	Very low	52.9	Low	183 Å²	183	114.8 Å²	114.8	86%	0.855	64%	0.642	S	S	*	*			trans	-69.8	23.6	178.1	-89.7	-176.7	109.6	0	0	114.2	R77	E75-R77 PolarHBondContact O-N 3.16Å
76	R	37.6	Very low	54.4	Low	229 Å²	229	110.5 Å²	110.5	86%	0.864	62%	0.618	S	S	*	*			trans	-73.3	81.4	157.8	-82.2	-172.7	179.8	-167.4	1.4	107.1	D74 S78	D74-R76 PolarHBondContact O-N 2.73Å; R76-S78 VanDerWaalsContact C-N 3.35Å; R76-S78 PolarHBondContact O-N 2.95Å
77	R	40.2	Very low	56	Low	229 Å²	229	106.5 Å²	106.5	86%	0.864	59%	0.59	S	S	*	*			trans	-36	102.2	166.5	-70.2	178.7	177.3	-166.9	-1.8	107.7	E75 A79	E75-R77 PolarHBondContact O-N 3.16Å; R77-A79 PolarHBondContact O-N 3.48Å
78	S	49.7	Very low	57.7	Low	115 Å²	115	108.9 Å²	108.9	80%	0.804	59%	0.591	S	S	*	*			trans	-58.6	99.4	169.5	-58.2	0	0	0	0	104.9	R76 P80	R76-S78 VanDerWaalsContact C-N 3.35Å; R76-S78 PolarHBondContact O-N 2.95Å; S78-P80 VanDerWaalsContact O-N 3.15Å
79	A	53.9	Low	59.5	Low	35 Å²	35	104.2 Å²	104.2	29%	0.289	56%	0.557	S	S	.	*			trans	-48.3	124.6	169.9	0	0	0	0	0	106.1	R77 S81 V241 P242	R77-A79 PolarHBondContact O-N 3.48Å; A79-S81 PolarHBondContact O-N 3.38Å; A79-V241 HydrophobicContact CB-CG1 3.54Å; A79-P242 HydrophobicContact CB-CB 3.83Å
80	P	66.2	Low	61.6	Low	84 Å²	84	102.9 Å²	102.9	55%	0.545	55%	0.547	S	S	.	.			trans	-57.8	102.7	-167.2	21.4	-33	0	0	0	109.4	S78 P242	S78-P80 VanDerWaalsContact O-N 3.15Å; P80-P242 CarbonylContact O-C 3.56Å
81	S	73.9	Confident	63.9	Low	55 Å²	55	102.9 Å²	102.9	39%	0.385	52%	0.524	S	S	.	.			trans	-75.5	135.2	-177.1	64	0	0	0	0	108.7	A79 E239	A79-S81 PolarHBondContact O-N 3.38Å; S81-E239 WeakPolarHBondContact CB-OE1 3.32Å; S81-E239 PolarHBondContact OG-OE1 2.91Å
82	R	79.1	Confident	66.1	Low	102 Å²	102	97.3 Å²	97.3	39%	0.385	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.2	-176.9	-72.9	-177.4	-176.9	-128.8	6.7	111	Y84 P211 E239 V240	R82-Y84 HydrophobicContact CB-CD2 4.3Å; R82-Y84 HydrophobicContact CB-CE2 3.47Å; R82-Y84 VanDerWaalsContact CB-CE2 3.47Å; R82-Y84 WeakPolarHBondContact CD-OH 3.41Å; R82-Y84 WeakPolarHBondContact O-CD2 3.34Å; R82-P211 VanDerWaalsContact NH1-CG 3.26Å; R82-E239 WeakPolarHBondContact O-CA 3.32Å; R82-V240 PolarHBondContact N-O 3.49Å; R82-V240 VanDerWaalsContact N-O 3.1Å; R82-V240 PolarHBondContact O-N 2.95Å
83	R	83.5	Confident	68.2	Low	101 Å²	101	91 Å²	91	38%	0.381	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.7	178.4	-65.4	-178.5	-176.4	167.2	3.9	110.8	V238 E239 I293	R83-V238 CarbonylContact C-O 3.38Å; R83-V238 WeakPolarHBondContact CA-O 3.25Å; R83-E239 HydrophobicContact CG-CB 4.15Å; R83-E239 HydrophobicContact CG-CG 4.06Å; R83-E239 IonicContact CZ-OE2 2.97Å; R83-E239 IonicContact NE-OE2 3.91Å; R83-E239 PolarHBondContact NE-OE2 2.91Å; R83-E239 VanDerWaalsContact NE-OE2 3.16Å; R83-E239 IonicContact NH2-OE2 3.34Å; R83-I293 HydrophobicContact CB-CD1 3.96Å; R83-I293 WeakPolarHBondContact O-CD1 3.36Å
84	Y	85.3	Confident	70.4	Confident	13 Å²	13	87.5 Å²	87.5	5%	0.051	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	161.4	178.8	-60.3	-76.6	0	0	0	111.3	R82 V226 V237 V238 V240 G243 V290	R82-Y84 HydrophobicContact CB-CD2 4.3Å; R82-Y84 HydrophobicContact CB-CE2 3.47Å; R82-Y84 VanDerWaalsContact CB-CE2 3.47Å; R82-Y84 WeakPolarHBondContact CD-OH 3.41Å; R82-Y84 WeakPolarHBondContact O-CD2 3.34Å; Y84-V226 HydrophobicContact CE1-CG1 4.43Å; Y84-V226 HydrophobicContact CE2-CG1 4.25Å; Y84-V226 HydrophobicContact CE2-CG2 4.16Å; Y84-V237 CarbonylContact O-C 3.37Å; Y84-V237 WeakPolarHBondContact O-CA 3.23Å; Y84-V238 PolarHBondContact N-O 3.18Å; Y84-V238 PolarHBondContact O-N 2.9Å; Y84-V240 HydrophobicContact CD2-CB 4.14Å; Y84-V240 HydrophobicContact CD2-CG2 3.88Å; Y84-V240 HydrophobicContact CE2-CB 4.26Å; Y84-V240 HydrophobicContact CE2-CG2 4.46Å; Y84-G243 PolarHBondContact OH-O 3.46Å; Y84-G243 VanDerWaalsContact OH-O 3.09Å; Y84-V290 HydrophobicContact CD1-CB 4.08Å; Y84-V290 HydrophobicContact CD1-CG2 3.74Å; Y84-V290 HydrophobicContact CD2-CB 4.34Å; Y84-V290 HydrophobicContact CD2-CG1 4.12Å; Y84-V290 HydrophobicContact CD2-CG2 4.25Å; Y84-V290 HydrophobicContact CE1-CG2 4.12Å; Y84-V290 HydrophobicContact CG-CB 3.77Å; Y84-V290 HydrophobicContact CG-CG1 3.99Å; Y84-V290 HydrophobicContact CG-CG2 3.82Å
85	L	84.8	Confident	72.8	Confident	66 Å²	66	80.2 Å²	80.2	35%	0.346	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	141.6	166.6	-86.1	82	0	0	0	110.1	P87 V237 Q291 I293	L85-P87 VanDerWaalsContact O-CD 3.28Å; L85-P87 WeakPolarHBondContact O-CD 3.43Å; L85-V237 HydrophobicContact CD1-CG1 4.2Å; L85-Q291 HydrophobicContact CB-CB 4.04Å; L85-Q291 PolarHBondContact N-O 3.23Å; L85-Q291 PolarHBondContact O-N 3.36Å; L85-I293 HydrophobicContact CD1-CD1 4.21Å; L85-I293 HydrophobicContact CD1-CG1 3.4Å
86	I	83.7	Confident	75	Confident	52 Å²	52	72.9 Å²	72.9	27%	0.267	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-77	118.2	166.6	-64.5	175.1	0	0	0	107.9	V238 Y276	I86-V238 HydrophobicContact CD1-CB 4.39Å; I86-V238 HydrophobicContact CD1-CG1 3.34Å; I86-V238 HydrophobicContact CD1-CG2 4.19Å; I86-V238 HydrophobicContact CG1-CB 4.27Å; I86-V238 HydrophobicContact CG1-CG1 3.68Å; I86-V238 HydrophobicContact CG1-CG2 3.58Å; I86-Y276 HydrophobicContact CD1-CD1 3.53Å; I86-Y276 HydrophobicContact CD1-CG 4.17Å
87	P	82.6	Confident	77.1	Confident	1 Å²	1	65 Å²	65	1%	0.006	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-72.1	138.9	176.9	26	-30.7	0	0	0	111.1	L85 R92 L223 V289	L85-P87 VanDerWaalsContact O-CD 3.28Å; L85-P87 WeakPolarHBondContact O-CD 3.43Å; P87-R92 HydrophobicContact CB-CG 4.4Å; P87-R92 HydrophobicContact CG-CG 4.19Å; P87-R92 PolarHBondContact O-NE 2.97Å; P87-R92 VanDerWaalsContact O-NE 3.09Å; P87-L223 HydrophobicContact CB-CD1 4.47Å; P87-L223 HydrophobicContact CB-CD2 3.43Å; P87-L223 VanDerWaalsContact CB-CD2 3.43Å; P87-L223 HydrophobicContact CG-CD2 3.84Å; P87-V289 WeakPolarHBondContact CD-O 3.41Å; P87-V289 HydrophobicContact CG-CG1 4.11Å
88	H	82.6	Confident	79.2	Confident	148 Å²	148	55.9 Å²	55.9	69%	0.685	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-56.4	143.7	176.2	-124.4	-81.5	0	0	0	111.6	C90 R91 R92	H88-C90 VanDerWaalsContact C-N 3.32Å; H88-C90 PolarHBondContact O-N 3.48Å; H88-R91 WeakPolarHBondContact O-CB 3.27Å; H88-R91 PolarHBondContact O-N 3.38Å; H88-R92 PolarHBondContact O-N 2.91Å
89	P	80.8	Confident	80.8	Confident	9 Å²	9	51.1 Å²	51.1	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-49.5	-45.2	179.4	-33.8	38	0	0	0	114.8	R91 R92 I93 M271 M272 H277	P89-R91 VanDerWaalsContact C-N 3.26Å; P89-R91 PolarHBondContact O-N 3.22Å; P89-R92 WeakPolarHBondContact O-CB 3.08Å; P89-R92 PolarHBondContact O-N 3Å; P89-I93 WeakPolarHBondContact O-CG1 3.49Å; P89-I93 PolarHBondContact O-N 3.46Å; P89-M271 HydrophobicContact CB-CE 3.79Å; P89-M272 HydrophobicContact CB-CE 4.08Å; P89-M272 HydrophobicContact CB-SD 4.37Å; P89-H277 HydrophobicContact CG-CB 4.3Å; P89-H277 WeakPolarHBondContact CG-ND1 3.46Å
90	C	83.4	Confident	81.9	Confident	92 Å²	92	52.6 Å²	52.6	62%	0.622	28%	0.275	S	S	*	.	H	α-helix	trans	-60.2	-36.3	-178.8	-58.2	0	0	0	0	112.6	H88 I93 A94	H88-C90 VanDerWaalsContact C-N 3.32Å; H88-C90 PolarHBondContact O-N 3.48Å; C90-I93 PolarHBondContact O-N 2.9Å; C90-A94 WeakPolarHBondContact O-CB 3.3Å; C90-A94 PolarHBondContact O-N 2.8Å
91	R	85.7	Confident	82.4	Confident	72 Å²	72	52.6 Å²	52.6	27%	0.272	27%	0.273	S	S	.	.	H	α-helix	trans	-70.3	-36	177.2	-170.1	177.2	179.3	173.6	0.8	111.6	H88 P89 A94 A95 M221 L223	H88-R91 WeakPolarHBondContact O-CB 3.27Å; H88-R91 PolarHBondContact O-N 3.38Å; P89-R91 VanDerWaalsContact C-N 3.26Å; P89-R91 PolarHBondContact O-N 3.22Å; R91-A94 PolarHBondContact O-N 3.36Å; R91-A95 PolarHBondContact O-N 2.85Å; R91-M221 HydrophobicContact CG-CB 4.41Å; R91-M221 HydrophobicContact CG-SD 4.14Å; R91-M221 PolarHBondContact NE-O 2.97Å; R91-M221 PolarHBondContact NH2-O 3.42Å; R91-L223 HydrophobicContact CG-CD1 4.37Å; R91-L223 HydrophobicContact CG-CD2 4.46Å
92	R	85.8	Confident	82.8	Confident	13 Å²	13	52.6 Å²	52.6	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-45.4	173.2	-60.1	-178.6	-174.2	-147.7	-1.8	110.9	P87 H88 P89 A94 A95 E96 M271 H277 V289	P87-R92 HydrophobicContact CB-CG 4.4Å; P87-R92 HydrophobicContact CG-CG 4.19Å; P87-R92 PolarHBondContact O-NE 2.97Å; P87-R92 VanDerWaalsContact O-NE 3.09Å; H88-R92 PolarHBondContact O-N 2.91Å; P89-R92 WeakPolarHBondContact O-CB 3.08Å; P89-R92 PolarHBondContact O-N 3Å; R92-A94 PolarHBondContact O-N 2.71Å; R92-A95 PolarHBondContact O-N 3.38Å; R92-E96 WeakPolarHBondContact O-CG 3.36Å; R92-E96 PolarHBondContact O-N 2.86Å; R92-M271 HydrophobicContact CB-SD 4.21Å; R92-H277 PolarHBondContact NH1-O 2.69Å; R92-V289 PolarHBondContact NH2-O 3.38Å
93	I	81.6	Confident	82.6	Confident	53 Å²	53	52.2 Å²	52.2	27%	0.272	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-47.7	176	-65.2	162.3	0	0	0	110	P89 C90 A95 E96 C97 F268 M271 M272	P89-I93 WeakPolarHBondContact O-CG1 3.49Å; P89-I93 PolarHBondContact O-N 3.46Å; C90-I93 PolarHBondContact O-N 2.9Å; I93-A95 VanDerWaalsContact C-N 3.34Å; I93-A95 PolarHBondContact O-N 3.32Å; I93-E96 WeakPolarHBondContact O-CB 3.39Å; I93-E96 PolarHBondContact O-N 3.32Å; I93-E96 VanDerWaalsContact O-N 3.16Å; I93-C97 PolarHBondContact O-N 3.11Å; I93-C97 PolarHBondContact O-SG 2.9Å; I93-F268 HydrophobicContact CB-CE1 4.44Å; I93-F268 HydrophobicContact CG1-CD1 4.02Å; I93-F268 HydrophobicContact CG1-CE1 3.7Å; I93-F268 HydrophobicContact CG2-CE1 4.5Å; I93-M271 HydrophobicContact CD1-CE 3.96Å; I93-M271 HydrophobicContact CG1-CE 3.9Å; I93-M272 HydrophobicContact CD1-CE 4.17Å
94	A	85.3	Confident	81.9	Confident	33 Å²	33	50.7 Å²	50.7	27%	0.273	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-42.3	178.4	0	0	0	0	0	112.5	C90 R91 R92 E96 C97 I98 M221	C90-A94 WeakPolarHBondContact O-CB 3.3Å; C90-A94 PolarHBondContact O-N 2.8Å; R91-A94 PolarHBondContact O-N 3.36Å; R92-A94 PolarHBondContact O-N 2.71Å; A94-E96 VanDerWaalsContact C-N 3.35Å; A94-E96 PolarHBondContact O-N 3.44Å; A94-C97 PolarHBondContact O-N 3.44Å; A94-I98 WeakPolarHBondContact O-CD1 3.48Å; A94-I98 VanDerWaalsContact O-CG1 3.28Å; A94-I98 WeakPolarHBondContact O-CG1 3.4Å; A94-I98 PolarHBondContact O-N 3.35Å; A94-M221 HydrophobicContact CB-CE 3.85Å
95	A	87	Confident	81.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-42.2	175.2	0	0	0	0	0	112.3	R91 R92 I93 I98 D99 K218 M221 L223	R91-A95 PolarHBondContact O-N 2.85Å; R92-A95 PolarHBondContact O-N 3.38Å; I93-A95 VanDerWaalsContact C-N 3.34Å; I93-A95 PolarHBondContact O-N 3.32Å; A95-I98 PolarHBondContact O-N 3.33Å; A95-D99 PolarHBondContact O-N 3.31Å; A95-K218 HydrophobicContact CB-CG 4.09Å; A95-M221 HydrophobicContact CB-CB 4.05Å; A95-M221 HydrophobicContact CB-CG 3.93Å; A95-L223 HydrophobicContact CB-CD1 4.06Å
96	E	83.1	Confident	81	Confident	28 Å²	28	54.2 Å²	54.2	13%	0.131	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-42.1	174.5	-66.9	-84.5	131	0	0	111.4	R92 I93 A94 I98 D99 I100 K218 K258	R92-E96 WeakPolarHBondContact O-CG 3.36Å; R92-E96 PolarHBondContact O-N 2.86Å; I93-E96 WeakPolarHBondContact O-CB 3.39Å; I93-E96 PolarHBondContact O-N 3.32Å; I93-E96 VanDerWaalsContact O-N 3.16Å; A94-E96 VanDerWaalsContact C-N 3.35Å; A94-E96 PolarHBondContact O-N 3.44Å; E96-I98 VanDerWaalsContact C-N 3.32Å; E96-I98 PolarHBondContact O-N 3.04Å; E96-D99 PolarHBondContact O-N 3.33Å; E96-I100 VanDerWaalsContact O-CG1 3.27Å; E96-I100 WeakPolarHBondContact O-CG1 3.46Å; E96-I100 PolarHBondContact O-N 2.96Å; E96-K218 IonicContact OE1-NZ 3.16Å; E96-K218 PolarHBondContact OE1-NZ 3.46Å; E96-K258 WeakPolarHBondContact OE1-CE 3.4Å; E96-K258 IonicContact OE1-NZ 2.59Å; E96-K258 PolarHBondContact OE1-NZ 2.68Å; E96-K258 WeakPolarHBondContact OE2-CE 3.19Å; E96-K258 IonicContact OE2-NZ 3.09Å; E96-K258 PolarHBondContact OE2-NZ 3.08Å
97	C	80.2	Confident	80.4	Confident	64 Å²	64	56 Å²	56	43%	0.432	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-38.8	176	-66.6	0	0	0	0	112.4	I93 A94 I100 T101	I93-C97 PolarHBondContact O-N 3.11Å; I93-C97 PolarHBondContact O-SG 2.9Å; A94-C97 PolarHBondContact O-N 3.44Å; C97-I100 PolarHBondContact O-N 3.03Å; C97-T101 WeakPolarHBondContact O-CB 3.14Å; C97-T101 PolarHBondContact O-N 2.86Å; C97-T101 PolarHBondContact O-OG1 3.2Å
98	I	84.5	Confident	79.6	Confident	37 Å²	37	58.5 Å²	58.5	19%	0.19	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-48.9	175.2	-69.1	158.6	0	0	0	110.4	A94 A95 E96 I100 T101 I102 L220 M221	A94-I98 WeakPolarHBondContact O-CD1 3.48Å; A94-I98 VanDerWaalsContact O-CG1 3.28Å; A94-I98 WeakPolarHBondContact O-CG1 3.4Å; A94-I98 PolarHBondContact O-N 3.35Å; A95-I98 PolarHBondContact O-N 3.33Å; E96-I98 VanDerWaalsContact C-N 3.32Å; E96-I98 PolarHBondContact O-N 3.04Å; I98-I100 VanDerWaalsContact C-N 3.3Å; I98-I100 PolarHBondContact O-N 3.42Å; I98-T101 PolarHBondContact O-N 3.28Å; I98-T101 VanDerWaalsContact O-N 3.16Å; I98-I102 HydrophobicContact CG2-CD1 3.61Å; I98-I102 HydrophobicContact CG2-CG1 4.36Å; I98-I102 WeakPolarHBondContact O-CG1 3.4Å; I98-I102 PolarHBondContact O-N 2.99Å; I98-L220 HydrophobicContact CD1-CD2 4.2Å; I98-L220 HydrophobicContact CG2-CD2 4.09Å; I98-M221 HydrophobicContact CD1-CE 3.38Å; I98-M221 HydrophobicContact CD1-CG 4.04Å
99	D	83.8	Confident	79.2	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.08	30%	0.304	C	S	.	.	H	α-helix	trans	-55.7	-46.1	176.7	-80	-29.9	0	0	0	110.8	A95 E96 T101 I102 M103 T215 G217 K218	A95-D99 PolarHBondContact O-N 3.31Å; E96-D99 PolarHBondContact O-N 3.33Å; D99-T101 PolarHBondContact O-N 2.88Å; D99-I102 PolarHBondContact O-N 2.88Å; D99-M103 WeakPolarHBondContact O-CB 3.28Å; D99-M103 WeakPolarHBondContact O-CG 3.48Å; D99-M103 PolarHBondContact O-N 3.27Å; D99-T215 WeakPolarHBondContact OD2-CB 3.31Å; D99-T215 PolarHBondContact OD2-OG1 3.5Å; D99-G217 WeakPolarHBondContact OD1-CA 3.01Å; D99-G217 PolarHBondContact OD1-N 2.83Å; D99-K218 IonicContact OD2-NZ 3.79Å
100	I	77.6	Confident	78.7	Confident	66 Å²	66	58.6 Å²	58.6	34%	0.338	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-44.7	177.3	-68.8	165.2	0	0	0	111.3	E96 C97 I98 I102 M103 M104	E96-I100 VanDerWaalsContact O-CG1 3.27Å; E96-I100 WeakPolarHBondContact O-CG1 3.46Å; E96-I100 PolarHBondContact O-N 2.96Å; C97-I100 PolarHBondContact O-N 3.03Å; I98-I100 VanDerWaalsContact C-N 3.3Å; I98-I100 PolarHBondContact O-N 3.42Å; I100-I102 PolarHBondContact O-N 2.77Å; I100-M103 PolarHBondContact O-N 3.22Å; I100-M104 VanDerWaalsContact O-CB 3.3Å; I100-M104 WeakPolarHBondContact O-CB 3.38Å; I100-M104 PolarHBondContact O-N 3.06Å
101	T	76.9	Confident	77.7	Confident	84 Å²	84	56.7 Å²	56.7	52%	0.515	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-43.3	-178.8	-57.5	0	0	0	0	111.3	C97 I98 D99 M104 A105	C97-T101 WeakPolarHBondContact O-CB 3.14Å; C97-T101 PolarHBondContact O-N 2.86Å; C97-T101 PolarHBondContact O-OG1 3.2Å; I98-T101 PolarHBondContact O-N 3.28Å; I98-T101 VanDerWaalsContact O-N 3.16Å; D99-T101 PolarHBondContact O-N 2.88Å; T101-M104 PolarHBondContact O-N 2.91Å; T101-A105 WeakPolarHBondContact O-CB 3.32Å; T101-A105 PolarHBondContact O-N 3.3Å
102	I	81.2	Confident	76.8	Confident	55 Å²	55	58.2 Å²	58.2	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-68.8	-43.3	179.7	-67.9	171.9	0	0	0	111	I98 D99 I100 M104 A105 L106 F216	I98-I102 HydrophobicContact CG2-CD1 3.61Å; I98-I102 HydrophobicContact CG2-CG1 4.36Å; I98-I102 WeakPolarHBondContact O-CG1 3.4Å; I98-I102 PolarHBondContact O-N 2.99Å; D99-I102 PolarHBondContact O-N 2.88Å; I100-I102 PolarHBondContact O-N 2.77Å; I102-M104 VanDerWaalsContact C-N 3.26Å; I102-M104 PolarHBondContact O-N 2.93Å; I102-A105 PolarHBondContact O-N 3.09Å; I102-L106 WeakPolarHBondContact O-CB 3.3Å; I102-L106 PolarHBondContact O-N 3.31Å; I102-F216 HydrophobicContact CD1-CD1 3.06Å; I102-F216 HydrophobicContact CD1-CE1 3.22Å; I102-F216 HydrophobicContact CD1-CG 4.08Å; I102-F216 HydrophobicContact CD1-CZ 4.32Å
103	M	75.7	Confident	76.3	Confident	94 Å²	94	64.4 Å²	64.4	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-35.3	175.6	-68.9	-63.3	155.5	0	0	111.6	D99 I100 K107	D99-M103 WeakPolarHBondContact O-CB 3.28Å; D99-M103 WeakPolarHBondContact O-CG 3.48Å; D99-M103 PolarHBondContact O-N 3.27Å; I100-M103 PolarHBondContact O-N 3.22Å; M103-K107 WeakPolarHBondContact O-CB 3.45Å; M103-K107 PolarHBondContact O-N 2.93Å
104	M	69.1	Low	75.7	Confident	70 Å²	70	68.1 Å²	68.1	35%	0.345	36%	0.359	S	S	.	.	H	α-helix	trans	-67.6	-42.9	174.2	-172.3	164	72.5	0	0	112	I100 T101 I102 K107 L108 I131	I100-M104 VanDerWaalsContact O-CB 3.3Å; I100-M104 WeakPolarHBondContact O-CB 3.38Å; I100-M104 PolarHBondContact O-N 3.06Å; T101-M104 PolarHBondContact O-N 2.91Å; I102-M104 VanDerWaalsContact C-N 3.26Å; I102-M104 PolarHBondContact O-N 2.93Å; M104-K107 PolarHBondContact O-N 3.22Å; M104-L108 PolarHBondContact O-N 3.08Å; M104-I131 HydrophobicContact SD-CG1 4.08Å; M104-I131 HydrophobicContact SD-CG2 4.04Å
105	A	75.1	Confident	74.8	Confident	52 Å²	52	70.8 Å²	70.8	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-44.9	175.3	0	0	0	0	0	111.7	T101 I102 K107 L108 V109	T101-A105 WeakPolarHBondContact O-CB 3.32Å; T101-A105 PolarHBondContact O-N 3.3Å; I102-A105 PolarHBondContact O-N 3.09Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 2.91Å; A105-L108 WeakPolarHBondContact O-CB 3.08Å; A105-L108 PolarHBondContact O-N 2.76Å; A105-L108 VanDerWaalsContact O-N 3.14Å; A105-V109 WeakPolarHBondContact O-CG2 3.5Å; A105-V109 PolarHBondContact O-N 3.03Å
106	L	75	Confident	73.9	Confident	100 Å²	100	76.8 Å²	76.8	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-61.4	-42.2	176.9	-174.9	126	0	0	0	111.5	I102 L108 V109 I110	I102-L106 WeakPolarHBondContact O-CB 3.3Å; I102-L106 PolarHBondContact O-N 3.31Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-L108 PolarHBondContact O-N 2.84Å; L106-V109 PolarHBondContact O-N 2.89Å; L106-I110 HydrophobicContact CD2-CD1 3.62Å; L106-I110 HydrophobicContact CG-CD1 4.15Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.08Å; L106-I110 PolarHBondContact O-N 2.71Å
107	K	70.8	Confident	72.9	Confident	89 Å²	89	82.9 Å²	82.9	39%	0.387	43%	0.43	S	S	.	.	H	α-helix	trans	-61.8	-40.5	174	-170.9	178.4	179.5	-173.5	0	111.9	M103 M104 A105 I110 L111	M103-K107 WeakPolarHBondContact O-CB 3.45Å; M103-K107 PolarHBondContact O-N 2.93Å; M104-K107 PolarHBondContact O-N 3.22Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 2.91Å; K107-I110 PolarHBondContact O-N 2.89Å; K107-L111 WeakPolarHBondContact O-CB 3.44Å; K107-L111 PolarHBondContact O-N 3.24Å
108	L	66.7	Low	71.9	Confident	54 Å²	54	80.6 Å²	80.6	28%	0.283	42%	0.415	S	S	.	.	H	α-helix	trans	-64.7	-43.5	177.1	-170.7	155.8	0	0	0	111.5	M104 A105 L106 L111 Y112 L123 M127	M104-L108 PolarHBondContact O-N 3.08Å; A105-L108 WeakPolarHBondContact O-CB 3.08Å; A105-L108 PolarHBondContact O-N 2.76Å; A105-L108 VanDerWaalsContact O-N 3.14Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-L108 PolarHBondContact O-N 2.84Å; L108-L111 PolarHBondContact O-N 3.42Å; L108-Y112 WeakPolarHBondContact O-CB 3.33Å; L108-Y112 PolarHBondContact O-N 3.19Å; L108-L123 HydrophobicContact CD2-CD2 3.99Å; L108-L123 HydrophobicContact CG-CD2 4.09Å; L108-M127 HydrophobicContact CB-CE 4.42Å
109	V	74.4	Confident	71	Confident	73 Å²	73	82.1 Å²	82.1	44%	0.442	43%	0.429	S	S	.	.	H	α-helix	trans	-61.8	-45.9	176.4	171.7	0	0	0	0	111	A105 L106 L111 Y112 F113	A105-V109 WeakPolarHBondContact O-CG2 3.5Å; A105-V109 PolarHBondContact O-N 3.03Å; L106-V109 PolarHBondContact O-N 2.89Å; V109-L111 VanDerWaalsContact C-N 3.35Å; V109-L111 PolarHBondContact O-N 3.42Å; V109-Y112 WeakPolarHBondContact O-CB 3.25Å; V109-Y112 PolarHBondContact O-N 2.79Å; V109-F113 HydrophobicContact CG1-CD2 3.76Å; V109-F113 HydrophobicContact CG1-CE2 3.5Å; V109-F113 VanDerWaalsContact CG1-CE2 3.5Å; V109-F113 WeakPolarHBondContact O-CD2 3.17Å; V109-F113 PolarHBondContact O-N 2.7Å
110	I	69	Low	69.9	Low	86 Å²	86	86.5 Å²	86.5	44%	0.441	45%	0.451	S	S	.	.	H	α-helix	trans	-60.6	-45.8	176.3	-69	167	0	0	0	110.7	L106 K107 Y112 F113 I114	L106-I110 HydrophobicContact CD2-CD1 3.62Å; L106-I110 HydrophobicContact CG-CD1 4.15Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.08Å; L106-I110 PolarHBondContact O-N 2.71Å; K107-I110 PolarHBondContact O-N 2.89Å; I110-Y112 VanDerWaalsContact C-N 3.31Å; I110-Y112 PolarHBondContact O-N 3.42Å; I110-F113 PolarHBondContact O-N 3.03Å; I110-I114 HydrophobicContact CG2-CD1 3.68Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 WeakPolarHBondContact O-CG1 3.03Å; I110-I114 PolarHBondContact O-N 3.05Å
111	L	63.5	Low	69.3	Low	52 Å²	52	89.7 Å²	89.7	27%	0.272	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-36	179.3	-168	68.3	0	0	0	112	K107 L108 V109 I114 K115 L123 M127	K107-L111 WeakPolarHBondContact O-CB 3.44Å; K107-L111 PolarHBondContact O-N 3.24Å; L108-L111 PolarHBondContact O-N 3.42Å; V109-L111 VanDerWaalsContact C-N 3.35Å; V109-L111 PolarHBondContact O-N 3.42Å; L111-I114 PolarHBondContact O-N 2.87Å; L111-K115 WeakPolarHBondContact O-CB 3.33Å; L111-K115 PolarHBondContact O-N 3.44Å; L111-L123 HydrophobicContact CB-CD1 4.19Å; L111-L123 HydrophobicContact CD2-CD1 3.45Å; L111-L123 VanDerWaalsContact CD2-CD1 3.45Å; L111-L123 HydrophobicContact CD2-CG 4.08Å; L111-L123 HydrophobicContact CG-CD1 3.53Å; L111-L123 HydrophobicContact CG-CG 4.46Å; L111-M127 HydrophobicContact CD2-CG 3.89Å; L111-M127 HydrophobicContact CD2-SD 3.62Å
112	Y	66.7	Low	68.6	Low	104 Å²	104	90.2 Å²	90.2	41%	0.408	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-47.1	173.5	174	-99.3	0	0	0	111.5	L108 V109 I110 K115 N116 I120 L123	L108-Y112 WeakPolarHBondContact O-CB 3.33Å; L108-Y112 PolarHBondContact O-N 3.19Å; V109-Y112 WeakPolarHBondContact O-CB 3.25Å; V109-Y112 PolarHBondContact O-N 2.79Å; I110-Y112 VanDerWaalsContact C-N 3.31Å; I110-Y112 PolarHBondContact O-N 3.42Å; Y112-K115 CarbonylContact O-C 3.49Å; Y112-K115 PolarHBondContact O-N 2.59Å; Y112-N116 PolarHBondContact O-N 2.89Å; Y112-I120 HydrophobicContact CD2-CG1 4.37Å; Y112-I120 HydrophobicContact CE2-CG1 4.22Å; Y112-L123 HydrophobicContact CD2-CD2 4.45Å
113	F	75.6	Confident	67.6	Low	144 Å²	144	87.7 Å²	87.7	63%	0.632	45%	0.451	S	S	*	.	H	α-helix	trans	-64.8	-40.3	177.1	-79.9	-65.5	0	0	0	113.1	V109 I110	V109-F113 HydrophobicContact CG1-CD2 3.76Å; V109-F113 HydrophobicContact CG1-CE2 3.5Å; V109-F113 VanDerWaalsContact CG1-CE2 3.5Å; V109-F113 WeakPolarHBondContact O-CD2 3.17Å; V109-F113 PolarHBondContact O-N 2.7Å; I110-F113 PolarHBondContact O-N 3.03Å
114	I	69.2	Low	66.7	Low	130 Å²	130	85.1 Å²	85.1	67%	0.667	45%	0.445	S	S	*	.	H	α-helix	trans	-67.5	-44	179.2	-68.6	169.1	0	0	0	110.6	I110 L111 N116	I110-I114 HydrophobicContact CG2-CD1 3.68Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 WeakPolarHBondContact O-CG1 3.03Å; I110-I114 PolarHBondContact O-N 3.05Å; L111-I114 PolarHBondContact O-N 2.87Å; I114-N116 VanDerWaalsContact C-N 3.3Å; I114-N116 PolarHBondContact O-N 2.95Å
115	K	66.1	Low	66.1	Low	89 Å²	89	90.7 Å²	90.7	39%	0.387	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	48.4	-175.6	-162.4	-180	172.3	-175	0	111.3	L111 Y112 D117 S118 L123 N126	L111-K115 WeakPolarHBondContact O-CB 3.33Å; L111-K115 PolarHBondContact O-N 3.44Å; Y112-K115 CarbonylContact O-C 3.49Å; Y112-K115 PolarHBondContact O-N 2.59Å; K115-D117 PolarHBondContact O-N 3.2Å; K115-S118 VanDerWaalsContact CD-OG 3.27Å; K115-S118 WeakPolarHBondContact CD-OG 3.38Å; K115-S118 WeakPolarHBondContact CG-OG 2.98Å; K115-S118 PolarHBondContact O-N 3.3Å; K115-S118 PolarHBondContact O-OG 3.38Å; K115-L123 HydrophobicContact CD-CD1 4.43Å; K115-N126 PolarHBondContact NZ-ND2 3.03Å
116	N	67.9	Low	64.9	Low	126 Å²	126	91.5 Å²	91.5	67%	0.674	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-31.9	-23.2	-173.6	-161.2	36.2	0	0	0	117.3	Y112 I114	Y112-N116 PolarHBondContact O-N 2.89Å; I114-N116 VanDerWaalsContact C-N 3.3Å; I114-N116 PolarHBondContact O-N 2.95Å
117	D	61.4	Low	63.8	Low	156 Å²	156	86.9 Å²	86.9	83%	0.834	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-1.9	-175	-65	-31.3	0	0	0	116.8	K115	K115-D117 PolarHBondContact O-N 3.2Å
118	S	59	Low	62.9	Low	17 Å²	17	84.4 Å²	84.4	12%	0.119	44%	0.435	C	S	.	.	S	Bend	trans	-96.6	127.3	-177.4	66.2	0	0	0	0	114.1	K115 I120	K115-S118 VanDerWaalsContact CD-OG 3.27Å; K115-S118 WeakPolarHBondContact CD-OG 3.38Å; K115-S118 WeakPolarHBondContact CG-OG 2.98Å; K115-S118 PolarHBondContact O-N 3.3Å; K115-S118 PolarHBondContact O-OG 3.38Å; S118-I120 PolarHBondContact O-N 3.45Å
119	S	67.2	Low	62	Low	69 Å²	69	82.7 Å²	82.7	48%	0.483	43%	0.427	S	S	.	.			trans	-48.8	138.5	170.5	60.5	0	0	0	0	110.9	I121 Q122 L123	S119-I121 PolarHBondContact O-N 2.99Å; S119-Q122 PolarHBondContact O-N 3.01Å; S119-Q122 VanDerWaalsContact OG-CG 3.3Å; S119-Q122 WeakPolarHBondContact OG-CG 3.48Å; S119-Q122 PolarHBondContact OG-N 3.38Å; S119-L123 PolarHBondContact O-N 2.88Å
120	I	60.8	Low	60.8	Low	107 Å²	107	81.4 Å²	81.4	55%	0.549	42%	0.418	S	S	.	.	H	α-helix	trans	-50	-31.6	179.8	-62.9	168.5	0	0	0	111.2	Y112 S118 A124	Y112-I120 HydrophobicContact CD2-CG1 4.37Å; Y112-I120 HydrophobicContact CE2-CG1 4.22Å; S118-I120 PolarHBondContact O-N 3.45Å; I120-A124 WeakPolarHBondContact O-CA 3.35Å; I120-A124 WeakPolarHBondContact O-CB 3.41Å; I120-A124 PolarHBondContact O-N 2.97Å
121	I	63.1	Low	59.7	Low	132 Å²	132	80.1 Å²	80.1	68%	0.677	41%	0.411	S	S	*	.	H	α-helix	trans	-69.6	-43.9	177.6	-61	166.3	0	0	0	111.7	S119 A124 R125	S119-I121 PolarHBondContact O-N 2.99Å; I121-A124 PolarHBondContact O-N 3.13Å; I121-R125 WeakPolarHBondContact O-CB 3.27Å; I121-R125 PolarHBondContact O-N 3.24Å
122	Q	63.4	Low	58.7	Low	96 Å²	96	79.4 Å²	79.4	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-68.2	-38.8	175	-71.7	-71	4.1	0	0	111	S119 R125 N126	S119-Q122 PolarHBondContact O-N 3.01Å; S119-Q122 VanDerWaalsContact OG-CG 3.3Å; S119-Q122 WeakPolarHBondContact OG-CG 3.48Å; S119-Q122 PolarHBondContact OG-N 3.38Å; Q122-R125 PolarHBondContact O-N 3.41Å; Q122-N126 WeakPolarHBondContact O-CB 3.18Å; Q122-N126 VanDerWaalsContact O-CG 3.29Å; Q122-N126 PolarHBondContact O-N 3.46Å; Q122-N126 PolarHBondContact O-OD1 3.42Å
123	L	59.3	Low	57.7	Low	1 Å²	1	74.8 Å²	74.8	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-50	171.1	-166.2	75.3	0	0	0	110.5	L108 L111 Y112 K115 S119 R125 M127	L108-L123 HydrophobicContact CD2-CD2 3.99Å; L108-L123 HydrophobicContact CG-CD2 4.09Å; L111-L123 HydrophobicContact CB-CD1 4.19Å; L111-L123 HydrophobicContact CD2-CD1 3.45Å; L111-L123 VanDerWaalsContact CD2-CD1 3.45Å; L111-L123 HydrophobicContact CD2-CG 4.08Å; L111-L123 HydrophobicContact CG-CD1 3.53Å; L111-L123 HydrophobicContact CG-CG 4.46Å; Y112-L123 HydrophobicContact CD2-CD2 4.45Å; K115-L123 HydrophobicContact CD-CD1 4.43Å; S119-L123 PolarHBondContact O-N 2.88Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-R125 PolarHBondContact O-N 2.86Å; L123-M127 WeakPolarHBondContact O-CA 3.45Å; L123-M127 WeakPolarHBondContact O-CB 3.4Å; L123-M127 WeakPolarHBondContact O-CG 3.46Å; L123-M127 PolarHBondContact O-N 2.82Å
124	A	56.5	Low	56.1	Low	41 Å²	41	68.9 Å²	68.9	34%	0.339	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-29.8	178.5	0	0	0	0	0	112.7	I120 I121 M127 G128	I120-A124 WeakPolarHBondContact O-CA 3.35Å; I120-A124 WeakPolarHBondContact O-CB 3.41Å; I120-A124 PolarHBondContact O-N 2.97Å; I121-A124 PolarHBondContact O-N 3.13Å; A124-M127 CarbonylContact O-C 3.49Å; A124-M127 VanDerWaalsContact O-C 3.24Å; A124-G128 PolarHBondContact O-N 2.95Å
125	R	57.1	Low	55.2	Low	186 Å²	186	65.2 Å²	65.2	70%	0.702	35%	0.354	S	S	*	.	H	α-helix	trans	-81	-42	179	-169.5	173.7	-179.7	161.6	-0.9	112.2	I121 Q122 L123 M127 G128	I121-R125 WeakPolarHBondContact O-CB 3.27Å; I121-R125 PolarHBondContact O-N 3.24Å; Q122-R125 PolarHBondContact O-N 3.41Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-R125 PolarHBondContact O-N 2.86Å; R125-M127 PolarHBondContact O-N 2.86Å; R125-G128 WeakPolarHBondContact O-CA 3.38Å; R125-G128 PolarHBondContact O-N 3.43Å
126	N	51.2	Low	54.2	Low	69 Å²	69	62.1 Å²	62.1	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-32	165.7	-69.8	14.2	0	0	0	110.4	K115 Q122 S129 D130	K115-N126 PolarHBondContact NZ-ND2 3.03Å; Q122-N126 WeakPolarHBondContact O-CB 3.18Å; Q122-N126 VanDerWaalsContact O-CG 3.29Å; Q122-N126 PolarHBondContact O-N 3.46Å; Q122-N126 PolarHBondContact O-OD1 3.42Å; N126-S129 PolarHBondContact O-N 2.91Å; N126-S129 PolarHBondContact O-OG 2.94Å; N126-D130 PolarHBondContact O-N 2.79Å
127	M	50.1	Low	53.4	Low	3 Å²	3	58.9 Å²	58.9	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-75.1	-20.7	168	-70.1	-80.7	-70.3	0	0	111.7	L108 L111 L123 A124 R125 S129 D130 I131	L108-M127 HydrophobicContact CB-CE 4.42Å; L111-M127 HydrophobicContact CD2-CG 3.89Å; L111-M127 HydrophobicContact CD2-SD 3.62Å; L123-M127 WeakPolarHBondContact O-CA 3.45Å; L123-M127 WeakPolarHBondContact O-CB 3.4Å; L123-M127 WeakPolarHBondContact O-CG 3.46Å; L123-M127 PolarHBondContact O-N 2.82Å; A124-M127 CarbonylContact O-C 3.49Å; A124-M127 VanDerWaalsContact O-C 3.24Å; R125-M127 PolarHBondContact O-N 2.86Å; M127-S129 PolarHBondContact O-N 2.54Å; M127-D130 CarbonylContact O-C 3.24Å; M127-D130 PolarHBondContact O-N 3.24Å; M127-D130 HydrophobicContact SD-CB 3.84Å; M127-I131 HydrophobicContact CB-CD1 3.91Å; M127-I131 HydrophobicContact CB-CG1 4Å; M127-I131 HydrophobicContact CE-CG1 4.31Å; M127-I131 WeakPolarHBondContact O-CA 3.38Å; M127-I131 WeakPolarHBondContact O-CB 3.36Å; M127-I131 WeakPolarHBondContact O-CD1 3.17Å; M127-I131 WeakPolarHBondContact O-CG1 3.45Å; M127-I131 PolarHBondContact O-N 3.2Å
128	G	52.1	Low	52.7	Low	37 Å²	37	52.3 Å²	52.3	38%	0.381	29%	0.287	S	S	.	.	H	α-helix	trans	-56.6	-37.5	170.3	0	0	0	0	0	110.6	A124 R125	A124-G128 PolarHBondContact O-N 2.95Å; R125-G128 WeakPolarHBondContact O-CA 3.38Å; R125-G128 PolarHBondContact O-N 3.43Å
129	S	48.7	Very low	52.3	Low	19 Å²	19	53.8 Å²	53.8	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-73.8	-33.7	168.7	36.5	0	0	0	0	114.4	N126 M127	N126-S129 PolarHBondContact O-N 2.91Å; N126-S129 PolarHBondContact O-OG 2.94Å; M127-S129 PolarHBondContact O-N 2.54Å
130	D	49.8	Very low	51.5	Low	45 Å²	45	51.9 Å²	51.9	24%	0.241	28%	0.276	C	S	.	.	H	α-helix	trans	-92.4	-13.5	179.2	-62.7	-28	0	0	0	115.7	N126 M127 S133 G134 H170	N126-D130 PolarHBondContact O-N 2.79Å; M127-D130 CarbonylContact O-C 3.24Å; M127-D130 PolarHBondContact O-N 3.24Å; M127-D130 HydrophobicContact SD-CB 3.84Å; D130-S133 VanDerWaalsContact C-N 3.28Å; D130-S133 WeakPolarHBondContact CA-OG 3.32Å; D130-S133 CarbonylContact O-C 3.36Å; D130-S133 VanDerWaalsContact O-C 3.27Å; D130-S133 VanDerWaalsContact O-CA 3.23Å; D130-S133 WeakPolarHBondContact O-CA 3.49Å; D130-S133 VanDerWaalsContact O-CB 3.22Å; D130-S133 WeakPolarHBondContact O-CB 3.09Å; D130-S133 PolarHBondContact O-N 3Å; D130-S133 PolarHBondContact O-OG 2.55Å; D130-G134 PolarHBondContact O-N 3.47Å; D130-H170 IonicContact OD1-CE1 3.92Å
131	I	45.4	Very low	50.7	Low	60 Å²	60	50.5 Å²	50.5	31%	0.308	27%	0.269	S	S	.	.	H	α-helix	trans	-74.2	-41.4	175.4	-78	159.7	0	0	0	106.5	M104 M127 S133 G134 V135	M104-I131 HydrophobicContact SD-CG1 4.08Å; M104-I131 HydrophobicContact SD-CG2 4.04Å; M127-I131 HydrophobicContact CB-CD1 3.91Å; M127-I131 HydrophobicContact CB-CG1 4Å; M127-I131 HydrophobicContact CE-CG1 4.31Å; M127-I131 WeakPolarHBondContact O-CA 3.38Å; M127-I131 WeakPolarHBondContact O-CB 3.36Å; M127-I131 WeakPolarHBondContact O-CD1 3.17Å; M127-I131 WeakPolarHBondContact O-CG1 3.45Å; M127-I131 PolarHBondContact O-N 3.2Å; I131-S133 VanDerWaalsContact C-N 3.26Å; I131-S133 PolarHBondContact O-N 3.18Å; I131-G134 WeakPolarHBondContact O-CA 3.19Å; I131-G134 PolarHBondContact O-N 3.41Å; I131-V135 WeakPolarHBondContact O-CG2 3.23Å; I131-V135 PolarHBondContact O-N 2.85Å
132	L	42.1	Very low	50.1	Low	36 Å²	36	47.6 Å²	47.6	19%	0.188	25%	0.249	C	C	.	.	H	α-helix	trans	-52.2	-47.3	160.2	-111.5	69.4	0	0	0	109.7	G134 V135 Y138 L166	L132-G134 PolarHBondContact O-N 2.94Å; L132-V135 PolarHBondContact O-N 2.94Å; L132-Y138 HydrophobicContact CB-CD1 3.54Å; L132-Y138 HydrophobicContact CB-CD2 4.12Å; L132-Y138 HydrophobicContact CB-CE1 3.56Å; L132-Y138 HydrophobicContact CB-CE2 4.19Å; L132-Y138 HydrophobicContact CB-CG 3.79Å; L132-Y138 HydrophobicContact CD2-CD1 4.31Å; L132-Y138 HydrophobicContact CD2-CD2 3.5Å; L132-Y138 VanDerWaalsContact CD2-CD2 3.5Å; L132-Y138 HydrophobicContact CD2-CE1 3.94Å; L132-Y138 HydrophobicContact CD2-CE2 3.1Å; L132-Y138 HydrophobicContact CD2-CG 4.08Å; L132-Y138 HydrophobicContact CG-CD1 3.93Å; L132-Y138 HydrophobicContact CG-CD2 3.52Å; L132-Y138 HydrophobicContact CG-CE1 4Å; L132-Y138 HydrophobicContact CG-CE2 3.67Å; L132-Y138 HydrophobicContact CG-CG 3.65Å; L132-Y138 WeakPolarHBondContact O-CB 3.38Å; L132-Y138 WeakPolarHBondContact O-CD1 3.38Å; L132-L166 HydrophobicContact CD1-CD2 4.08Å; L132-L166 HydrophobicContact CD2-CB 3.9Å; L132-L166 HydrophobicContact CD2-CD2 3.61Å; L132-L166 HydrophobicContact CD2-CG 4.33Å; L132-L166 HydrophobicContact CG-CD2 4.46Å
133	S	44.9	Very low	49.5	Very low	8 Å²	8	47.3 Å²	47.3	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-21.3	172.1	93.2	0	0	0	0	114.8	D130 I131 R139	D130-S133 VanDerWaalsContact C-N 3.28Å; D130-S133 WeakPolarHBondContact CA-OG 3.32Å; D130-S133 CarbonylContact O-C 3.36Å; D130-S133 VanDerWaalsContact O-C 3.27Å; D130-S133 VanDerWaalsContact O-CA 3.23Å; D130-S133 WeakPolarHBondContact O-CA 3.49Å; D130-S133 VanDerWaalsContact O-CB 3.22Å; D130-S133 WeakPolarHBondContact O-CB 3.09Å; D130-S133 PolarHBondContact O-N 3Å; D130-S133 PolarHBondContact O-OG 2.55Å; I131-S133 VanDerWaalsContact C-N 3.26Å; I131-S133 PolarHBondContact O-N 3.18Å; S133-R139 VanDerWaalsContact O-CD 3.25Å; S133-R139 WeakPolarHBondContact O-CD 3.45Å; S133-R139 VanDerWaalsContact O-CG 3.26Å; S133-R139 WeakPolarHBondContact O-CG 3.42Å; S133-R139 PolarHBondContact O-NE 2.88Å; S133-R139 PolarHBondContact O-NH2 3.31Å
134	G	42.6	Very low	49.1	Very low	19 Å²	19	50 Å²	50	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-76.2	-38.4	179.1	0	0	0	0	0	112.4	D130 I131 L132 P136 R139	D130-G134 PolarHBondContact O-N 3.47Å; I131-G134 WeakPolarHBondContact O-CA 3.19Å; I131-G134 PolarHBondContact O-N 3.41Å; L132-G134 PolarHBondContact O-N 2.94Å; G134-P136 VanDerWaalsContact O-CD 3.31Å; G134-P136 WeakPolarHBondContact O-CD 3.37Å; G134-R139 PolarHBondContact O-NH2 3.1Å
135	V	49.8	Very low	48.8	Very low	54 Å²	54	51.4 Å²	51.4	33%	0.327	27%	0.266	S	S	.	.	S	Bend	trans	-61.9	114.4	176.1	178.2	0	0	0	0	109.2	I131 L132 E137 Y138 R139	I131-V135 WeakPolarHBondContact O-CG2 3.23Å; I131-V135 PolarHBondContact O-N 2.85Å; L132-V135 PolarHBondContact O-N 2.94Å; V135-E137 HydrophobicContact CG1-CB 3.89Å; V135-E137 WeakPolarHBondContact CG1-OE2 3.03Å; V135-E137 PolarHBondContact O-N 2.98Å; V135-E137 VanDerWaalsContact O-N 3.09Å; V135-Y138 PolarHBondContact O-N 2.87Å; V135-Y138 VanDerWaalsContact O-N 3.12Å; V135-R139 PolarHBondContact O-N 3.11Å; V135-R139 VanDerWaalsContact O-N 3.15Å
136	P	46.8	Very low	48.5	Very low	24 Å²	24	44.2 Å²	44.2	16%	0.156	25%	0.25	C	C	.	.	H	α-helix	trans	-48.8	-35.8	176.7	-26.2	32.6	0	0	0	113.3	G134 R139 T140 T264	G134-P136 VanDerWaalsContact O-CD 3.31Å; G134-P136 WeakPolarHBondContact O-CD 3.37Å; P136-R139 WeakPolarHBondContact O-CB 3.3Å; P136-R139 PolarHBondContact O-N 3.36Å; P136-T140 PolarHBondContact O-N 3.29Å; P136-T264 HydrophobicContact CB-CG2 4Å
137	E	49.9	Very low	48.3	Very low	58 Å²	58	49 Å²	49	27%	0.271	26%	0.263	S	S	.	.	H	α-helix	trans	-74	-35.1	-177.2	-59.8	76.6	-172	0	0	112.8	V135 R139 T140 L141	V135-E137 HydrophobicContact CG1-CB 3.89Å; V135-E137 WeakPolarHBondContact CG1-OE2 3.03Å; V135-E137 PolarHBondContact O-N 2.98Å; V135-E137 VanDerWaalsContact O-N 3.09Å; E137-R139 VanDerWaalsContact C-N 3.33Å; E137-T140 WeakPolarHBondContact CA-OG1 3.48Å; E137-T140 PolarHBondContact O-OG1 2.59Å; E137-L141 WeakPolarHBondContact O-CB 3.21Å; E137-L141 VanDerWaalsContact O-CG 3.23Å; E137-L141 WeakPolarHBondContact O-CG 3.05Å; E137-L141 PolarHBondContact O-N 3.48Å; E137-L141 VanDerWaalsContact O-N 3.09Å
138	Y	48.2	Very low	48.5	Very low	18 Å²	18	50.6 Å²	50.6	7%	0.071	28%	0.277	C	S	.	.	H	α-helix	trans	-76.2	-25.7	172.4	179.1	-89.8	0	0	0	111.3	L132 V135 L141 R142 L166 F167	L132-Y138 HydrophobicContact CB-CD1 3.54Å; L132-Y138 HydrophobicContact CB-CD2 4.12Å; L132-Y138 HydrophobicContact CB-CE1 3.56Å; L132-Y138 HydrophobicContact CB-CE2 4.19Å; L132-Y138 HydrophobicContact CB-CG 3.79Å; L132-Y138 HydrophobicContact CD2-CD1 4.31Å; L132-Y138 HydrophobicContact CD2-CD2 3.5Å; L132-Y138 VanDerWaalsContact CD2-CD2 3.5Å; L132-Y138 HydrophobicContact CD2-CE1 3.94Å; L132-Y138 HydrophobicContact CD2-CE2 3.1Å; L132-Y138 HydrophobicContact CD2-CG 4.08Å; L132-Y138 HydrophobicContact CG-CD1 3.93Å; L132-Y138 HydrophobicContact CG-CD2 3.52Å; L132-Y138 HydrophobicContact CG-CE1 4Å; L132-Y138 HydrophobicContact CG-CE2 3.67Å; L132-Y138 HydrophobicContact CG-CG 3.65Å; L132-Y138 WeakPolarHBondContact O-CB 3.38Å; L132-Y138 WeakPolarHBondContact O-CD1 3.38Å; V135-Y138 PolarHBondContact O-N 2.87Å; V135-Y138 VanDerWaalsContact O-N 3.12Å; Y138-L141 PolarHBondContact O-N 3.42Å; Y138-R142 WeakPolarHBondContact O-CB 3.36Å; Y138-R142 PolarHBondContact O-N 3.09Å; Y138-L166 PolarHBondContact OH-O 2.73Å; Y138-F167 HydrophobicContact CE2-CD2 4.22Å; Y138-F167 AromaticContact CE2-CE2 3.67Å; Y138-F167 HydrophobicContact CE2-CE2 3.67Å; Y138-F167 AromaticContact CE2-CZ 3.96Å; Y138-F167 HydrophobicContact CE2-CZ 3.96Å
139	R	50.5	Low	48.5	Very low	47 Å²	47	56.3 Å²	56.3	18%	0.177	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-39.5	169.8	-86.5	-171.9	-97.3	-160.6	-4	113.2	S133 G134 V135 P136 E137 R143 D187	S133-R139 VanDerWaalsContact O-CD 3.25Å; S133-R139 WeakPolarHBondContact O-CD 3.45Å; S133-R139 VanDerWaalsContact O-CG 3.26Å; S133-R139 WeakPolarHBondContact O-CG 3.42Å; S133-R139 PolarHBondContact O-NE 2.88Å; S133-R139 PolarHBondContact O-NH2 3.31Å; G134-R139 PolarHBondContact O-NH2 3.1Å; V135-R139 PolarHBondContact O-N 3.11Å; V135-R139 VanDerWaalsContact O-N 3.15Å; P136-R139 WeakPolarHBondContact O-CB 3.3Å; P136-R139 PolarHBondContact O-N 3.36Å; E137-R139 VanDerWaalsContact C-N 3.33Å; R139-R143 PolarHBondContact O-N 2.89Å; R139-D187 IonicContact CZ-OD1 3.19Å; R139-D187 IonicContact NH1-OD1 2.8Å; R139-D187 PolarHBondContact NH1-OD1 3.41Å
140	T	49.4	Very low	48.8	Very low	30 Å²	30	60.6 Å²	60.6	18%	0.184	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-42.8	171.9	48.8	0	0	0	0	110.9	P136 E137 R142 R143 A144 S261	P136-T140 PolarHBondContact O-N 3.29Å; E137-T140 WeakPolarHBondContact CA-OG1 3.48Å; E137-T140 PolarHBondContact O-OG1 2.59Å; T140-R142 PolarHBondContact O-N 3.31Å; T140-R143 PolarHBondContact O-N 2.94Å; T140-A144 VanDerWaalsContact O-CB 3.31Å; T140-A144 WeakPolarHBondContact O-CB 3.22Å; T140-A144 PolarHBondContact O-N 3.12Å; T140-S261 VanDerWaalsContact CG2-CB 3.43Å; T140-S261 WeakPolarHBondContact CG2-O 3.13Å
141	L	45	Very low	49	Very low	77 Å²	77	65.2 Å²	65.2	40%	0.403	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-40.1	176.7	-72.7	174	0	0	0	112.6	E137 Y138 A144 H145 W163	E137-L141 WeakPolarHBondContact O-CB 3.21Å; E137-L141 VanDerWaalsContact O-CG 3.23Å; E137-L141 WeakPolarHBondContact O-CG 3.05Å; E137-L141 PolarHBondContact O-N 3.48Å; E137-L141 VanDerWaalsContact O-N 3.09Å; Y138-L141 PolarHBondContact O-N 3.42Å; L141-A144 PolarHBondContact O-N 3.28Å; L141-H145 WeakPolarHBondContact O-CB 3.43Å; L141-H145 PolarHBondContact O-N 3.3Å; L141-W163 HydrophobicContact CB-CH2 3.93Å; L141-W163 HydrophobicContact CB-CZ2 4.34Å; L141-W163 HydrophobicContact CD1-CZ2 4.19Å; L141-W163 HydrophobicContact CD2-CH2 4.12Å; L141-W163 HydrophobicContact CD2-CZ2 3.92Å; L141-W163 HydrophobicContact CG-CH2 4.43Å; L141-W163 HydrophobicContact CG-CZ2 4.37Å
142	R	49.2	Very low	49	Very low	71 Å²	71	68.9 Å²	68.9	27%	0.268	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-42.3	173.7	-170.6	-169.9	-68.1	-179.9	-10	111.7	Y138 T140 H145 G146	Y138-R142 WeakPolarHBondContact O-CB 3.36Å; Y138-R142 PolarHBondContact O-N 3.09Å; T140-R142 PolarHBondContact O-N 3.31Å; R142-H145 PolarHBondContact O-N 2.89Å; R142-G146 PolarHBondContact O-N 3.22Å
143	R	50.8	Low	49.3	Very low	91 Å²	91	74.7 Å²	74.7	34%	0.343	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-46.2	173.4	-87	-158.1	178.4	80.5	3	112	R139 T140 H145 G146 W147 R191	R139-R143 PolarHBondContact O-N 2.89Å; T140-R143 PolarHBondContact O-N 2.94Å; R143-H145 PolarHBondContact O-N 3.27Å; R143-G146 CarbonylContact O-C 3.59Å; R143-G146 PolarHBondContact O-N 3.24Å; R143-G146 VanDerWaalsContact O-N 3.09Å; R143-W147 WeakPolarHBondContact O-CB 3.32Å; R143-W147 PolarHBondContact O-N 3.18Å; R143-R191 VanDerWaalsContact CZ-NH1 3.27Å
144	A	52.1	Low	49.7	Very low	57 Å²	57	77.8 Å²	77.8	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-58.5	-39.5	177.3	0	0	0	0	0	110.8	T140 L141 A148	T140-A144 VanDerWaalsContact O-CB 3.31Å; T140-A144 WeakPolarHBondContact O-CB 3.22Å; T140-A144 PolarHBondContact O-N 3.12Å; L141-A144 PolarHBondContact O-N 3.28Å; A144-A148 WeakPolarHBondContact O-CB 3.28Å; A144-A148 PolarHBondContact O-N 3.05Å
145	H	49.3	Very low	49.5	Very low	70 Å²	70	85.2 Å²	85.2	32%	0.324	44%	0.442	S	S	.	.	H	α-helix	trans	-70.4	-39.2	173.8	-168.7	-74.9	0	0	0	112.7	L141 R142 R143 A148 K149 W163	L141-H145 WeakPolarHBondContact O-CB 3.43Å; L141-H145 PolarHBondContact O-N 3.3Å; R142-H145 PolarHBondContact O-N 2.89Å; R143-H145 PolarHBondContact O-N 3.27Å; H145-A148 PolarHBondContact O-N 3.23Å; H145-K149 WeakPolarHBondContact O-CB 3.23Å; H145-K149 PolarHBondContact O-N 2.68Å; H145-W163 HydrophobicContact CB-CZ3 4.38Å; H145-W163 AromaticContact CD2-CZ3 3.95Å
146	G	51.6	Low	49.2	Very low	35 Å²	35	91.9 Å²	91.9	36%	0.361	47%	0.47	S	S	.	.	H	α-helix	trans	-60.2	-45.9	173.3	0	0	0	0	0	112.1	R142 R143 K149 T150	R142-G146 PolarHBondContact O-N 3.22Å; R143-G146 CarbonylContact O-C 3.59Å; R143-G146 PolarHBondContact O-N 3.24Å; R143-G146 VanDerWaalsContact O-N 3.09Å; G146-K149 PolarHBondContact O-N 3.42Å; G146-T150 WeakPolarHBondContact O-CG2 3.43Å; G146-T150 PolarHBondContact O-N 3.43Å; G146-T150 PolarHBondContact O-OG1 3.09Å
147	W	47.1	Very low	48.8	Very low	169 Å²	169	99 Å²	99	64%	0.64	50%	0.498	S	S	*	.	H	α-helix	trans	-63.5	-46.4	174.1	-82.2	61.2	0	0	0	111.7	R143 K149 T150 E151	R143-W147 WeakPolarHBondContact O-CB 3.32Å; R143-W147 PolarHBondContact O-N 3.18Å; W147-K149 PolarHBondContact O-N 2.94Å; W147-T150 WeakPolarHBondContact CA-OG1 3.48Å; W147-T150 PolarHBondContact O-N 2.92Å; W147-T150 VanDerWaalsContact O-N 3.11Å; W147-T150 PolarHBondContact O-OG1 3.24Å; W147-E151 PolarHBondContact O-N 3.39Å
148	A	53.4	Low	48.5	Very low	38 Å²	38	105.1 Å²	105.1	31%	0.314	53%	0.527	S	S	.	.	H	α-helix	trans	-60.4	-36.2	175.9	0	0	0	0	0	111.5	A144 H145 F152	A144-A148 WeakPolarHBondContact O-CB 3.28Å; A144-A148 PolarHBondContact O-N 3.05Å; H145-A148 PolarHBondContact O-N 3.23Å; A148-F152 HydrophobicContact CB-CD2 4.41Å; A148-F152 WeakPolarHBondContact O-CA 3.13Å; A148-F152 WeakPolarHBondContact O-CB 3.49Å; A148-F152 WeakPolarHBondContact O-CD2 3.43Å; A148-F152 PolarHBondContact O-N 2.9Å
149	K	52.5	Low	48.1	Very low	156 Å²	156	106 Å²	106	68%	0.678	53%	0.534	S	S	*	.	H	α-helix	trans	-70.5	-35.2	175.9	-164.7	179.1	-178.6	-176.2	0	112.3	H145 G146 W147	H145-K149 WeakPolarHBondContact O-CB 3.23Å; H145-K149 PolarHBondContact O-N 2.68Å; G146-K149 PolarHBondContact O-N 3.42Å; W147-K149 PolarHBondContact O-N 2.94Å
150	T	55.4	Low	48	Very low	110 Å²	110	106.9 Å²	106.9	68%	0.675	55%	0.548	S	S	*	.	H	α-helix	trans	-75.2	-34.4	176.8	51.4	0	0	0	0	113	G146 W147	G146-T150 WeakPolarHBondContact O-CG2 3.43Å; G146-T150 PolarHBondContact O-N 3.43Å; G146-T150 PolarHBondContact O-OG1 3.09Å; W147-T150 WeakPolarHBondContact CA-OG1 3.48Å; W147-T150 PolarHBondContact O-N 2.92Å; W147-T150 VanDerWaalsContact O-N 3.11Å; W147-T150 PolarHBondContact O-OG1 3.24Å
151	E	52.2	Low	47.9	Very low	142 Å²	142	109.9 Å²	109.9	66%	0.664	57%	0.57	S	S	*	*	H	α-helix	trans	-84.3	-42.1	177.5	-85.7	178.8	139	0	0	112.8	W147 N153	W147-E151 PolarHBondContact O-N 3.39Å; E151-N153 VanDerWaalsContact C-N 3.27Å; E151-N153 PolarHBondContact O-N 3.45Å; E151-N153 VanDerWaalsContact O-N 3.15Å
152	F	47.4	Very low	47.8	Very low	136 Å²	136	112 Å²	112	60%	0.596	58%	0.58	S	S	*	*			trans	-92.7	62.9	178	-64.3	-84.9	0	0	0	110.6	A148 G154	A148-F152 HydrophobicContact CB-CD2 4.41Å; A148-F152 WeakPolarHBondContact O-CA 3.13Å; A148-F152 WeakPolarHBondContact O-CB 3.49Å; A148-F152 WeakPolarHBondContact O-CD2 3.43Å; A148-F152 PolarHBondContact O-N 2.9Å; F152-G154 VanDerWaalsContact C-N 3.27Å; F152-G154 PolarHBondContact O-N 2.7Å
153	N	48.3	Very low	47.2	Very low	159 Å²	159	111.8 Å²	111.8	85%	0.85	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	88.9	168	-157.6	16.8	0	0	0	109	E151	E151-N153 VanDerWaalsContact C-N 3.27Å; E151-N153 PolarHBondContact O-N 3.45Å; E151-N153 VanDerWaalsContact O-N 3.15Å
154	G	51.7	Low	46.6	Very low	73 Å²	73	115.2 Å²	115.2	75%	0.753	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.2	3.2	167.4	0	0	0	0	0	118.4	F152	F152-G154 VanDerWaalsContact C-N 3.27Å; F152-G154 PolarHBondContact O-N 2.7Å
155	K	39.7	Very low	46.2	Very low	175 Å²	175	116.8 Å²	116.8	76%	0.761	60%	0.6	S	S	*	*			trans	-118.6	99.3	168.1	-69.8	-174.2	-178	176.7	0	109.3	F157	K155-F157 PolarHBondContact O-N 3.25Å
156	E	43.4	Very low	45.9	Very low	193 Å²	193	117 Å²	117	90%	0.902	60%	0.603	S	S	*	*			trans	-53	108.9	171.7	-72	-165.4	149.2	0	0	109.1	Q158	E156-Q158 PolarHBondContact O-N 2.93Å
157	F	38.8	Very low	45.4	Very low	173 Å²	173	117 Å²	117	76%	0.759	59%	0.593	S	S	*	*			trans	-65	118.4	169.2	-169.1	-111.8	0	0	0	106.8	K155 V159	K155-F157 PolarHBondContact O-N 3.25Å; F157-V159 HydrophobicContact CD1-CG1 4.46Å; F157-V159 HydrophobicContact CD1-CG2 3.95Å; F157-V159 WeakPolarHBondContact O-CG2 3.36Å; F157-V159 PolarHBondContact O-N 3.23Å
158	Q	42.3	Very low	44.8	Very low	187 Å²	187	115.4 Å²	115.4	87%	0.874	59%	0.591	S	S	*	*			trans	-65.2	81.3	177.6	-77.6	-90.2	23.4	0	0	109.7	E156	E156-Q158 PolarHBondContact O-N 2.93Å
159	V	40.6	Very low	44	Very low	36 Å²	36	116.7 Å²	116.7	22%	0.218	60%	0.602	C	S	.	*			trans	-83	127.5	178.5	-138.3	0	0	0	0	109.4	F157 W163	F157-V159 HydrophobicContact CD1-CG1 4.46Å; F157-V159 HydrophobicContact CD1-CG2 3.95Å; F157-V159 WeakPolarHBondContact O-CG2 3.36Å; F157-V159 PolarHBondContact O-N 3.23Å; V159-W163 HydrophobicContact CB-CB 3.85Å; V159-W163 HydrophobicContact CB-CG 4.23Å; V159-W163 HydrophobicContact CG1-CB 3.35Å; V159-W163 HydrophobicContact CG1-CD2 3.4Å; V159-W163 VanDerWaalsContact CG1-CD2 3.4Å; V159-W163 HydrophobicContact CG1-CE3 3.76Å; V159-W163 HydrophobicContact CG1-CG 3.2Å
160	S	48.8	Very low	43.5	Very low	67 Å²	67	112.9 Å²	112.9	47%	0.469	59%	0.586	S	S	.	*			trans	-51.6	157.3	-176.5	70.4	0	0	0	0	114.1	I162 W163 R164	S160-I162 PolarHBondContact O-N 3Å; S160-W163 WeakPolarHBondContact O-CA 3.21Å; S160-W163 VanDerWaalsContact O-CB 3.26Å; S160-W163 WeakPolarHBondContact O-CB 3.34Å; S160-W163 PolarHBondContact O-N 3.41Å; S160-R164 PolarHBondContact O-N 3.45Å
161	S	46.2	Very low	42.6	Very low	93 Å²	93	113.1 Å²	113.1	65%	0.65	58%	0.582	S	S	*	*	H	α-helix	trans	-48.9	-35.3	179.5	171.8	0	0	0	0	114.3	W163 R164 S165	S161-W163 VanDerWaalsContact C-N 3.32Å; S161-W163 PolarHBondContact O-N 2.85Å; S161-R164 PolarHBondContact O-N 3.46Å; S161-S165 PolarHBondContact O-N 3.03Å
162	I	42.2	Very low	41.8	Very low	120 Å²	120	110 Å²	110	62%	0.615	59%	0.588	S	S	*	*	H	α-helix	trans	-63.4	-39.8	177.4	-62.9	167.4	0	0	0	110.8	S160 S165 L166	S160-I162 PolarHBondContact O-N 3Å; I162-S165 PolarHBondContact O-N 3.21Å; I162-L166 HydrophobicContact CG2-CD1 3.96Å; I162-L166 WeakPolarHBondContact O-CG 3.4Å; I162-L166 PolarHBondContact O-N 2.99Å
163	W	38.1	Very low	41.3	Very low	68 Å²	68	107.7 Å²	107.7	26%	0.258	59%	0.594	S	S	.	*	H	α-helix	trans	-66.7	-41.9	174.9	-98.2	81.9	0	0	0	112.3	L141 H145 V159 S160 S161 S165 L166 F167	L141-W163 HydrophobicContact CB-CH2 3.93Å; L141-W163 HydrophobicContact CB-CZ2 4.34Å; L141-W163 HydrophobicContact CD1-CZ2 4.19Å; L141-W163 HydrophobicContact CD2-CH2 4.12Å; L141-W163 HydrophobicContact CD2-CZ2 3.92Å; L141-W163 HydrophobicContact CG-CH2 4.43Å; L141-W163 HydrophobicContact CG-CZ2 4.37Å; H145-W163 HydrophobicContact CB-CZ3 4.38Å; H145-W163 AromaticContact CD2-CZ3 3.95Å; V159-W163 HydrophobicContact CB-CB 3.85Å; V159-W163 HydrophobicContact CB-CG 4.23Å; V159-W163 HydrophobicContact CG1-CB 3.35Å; V159-W163 HydrophobicContact CG1-CD2 3.4Å; V159-W163 VanDerWaalsContact CG1-CD2 3.4Å; V159-W163 HydrophobicContact CG1-CE3 3.76Å; V159-W163 HydrophobicContact CG1-CG 3.2Å; S160-W163 WeakPolarHBondContact O-CA 3.21Å; S160-W163 VanDerWaalsContact O-CB 3.26Å; S160-W163 WeakPolarHBondContact O-CB 3.34Å; S160-W163 PolarHBondContact O-N 3.41Å; S161-W163 VanDerWaalsContact C-N 3.32Å; S161-W163 PolarHBondContact O-N 2.85Å; W163-S165 VanDerWaalsContact C-N 3.34Å; W163-S165 PolarHBondContact O-N 3.34Å; W163-L166 PolarHBondContact O-N 3.15Å; W163-F167 HydrophobicContact CD2-CD2 4.34Å; W163-F167 AromaticContact CD2-CE2 3.98Å; W163-F167 HydrophobicContact CD2-CE2 3.98Å; W163-F167 AromaticContact CE3-CD2 3.47Å; W163-F167 HydrophobicContact CE3-CD2 3.47Å; W163-F167 VanDerWaalsContact CE3-CD2 3.47Å; W163-F167 AromaticContact CE3-CE2 3.04Å; W163-F167 HydrophobicContact CE3-CE2 3.04Å; W163-F167 AromaticContact CE3-CZ 3.78Å; W163-F167 HydrophobicContact CE3-CZ 3.78Å; W163-F167 AromaticContact CH2-CE2 3.83Å; W163-F167 HydrophobicContact CH2-CE2 3.83Å; W163-F167 AromaticContact CH2-CZ 3.99Å; W163-F167 HydrophobicContact CH2-CZ 3.99Å; W163-F167 AromaticContact CZ3-CD2 3.86Å; W163-F167 HydrophobicContact CZ3-CD2 3.86Å; W163-F167 HydrophobicContact CZ3-CE1 4.27Å; W163-F167 AromaticContact CZ3-CE2 2.97Å; W163-F167 HydrophobicContact CZ3-CE2 2.97Å; W163-F167 AromaticContact CZ3-CZ 3.22Å; W163-F167 HydrophobicContact CZ3-CZ 3.22Å; W163-F167 WeakPolarHBondContact O-CB 2.88Å; W163-F167 VanDerWaalsContact O-CD2 3.32Å; W163-F167 WeakPolarHBondContact O-CD2 3.4Å; W163-F167 PolarHBondContact O-N 2.87Å
164	R	38.6	Very low	40.7	Very low	163 Å²	163	110.7 Å²	110.7	62%	0.615	59%	0.593	S	S	*	*	H	α-helix	trans	-59.5	-45.7	174.2	-79.6	-179.1	66.5	-126.2	0.6	110.9	S160 S161 L166 F167 F168	S160-R164 PolarHBondContact O-N 3.45Å; S161-R164 PolarHBondContact O-N 3.46Å; R164-L166 PolarHBondContact O-N 3.26Å; R164-F167 PolarHBondContact O-N 3.12Å; R164-F168 VanDerWaalsContact O-CB 3.25Å; R164-F168 WeakPolarHBondContact O-CB 3.32Å; R164-F168 PolarHBondContact O-N 3.2Å
165	S	42.1	Very low	40.4	Very low	90 Å²	90	115.2 Å²	115.2	63%	0.629	60%	0.595	S	S	*	*	H	α-helix	trans	-64.7	-38.3	179.9	-171	0	0	0	0	113.4	S161 I162 W163	S161-S165 PolarHBondContact O-N 3.03Å; I162-S165 PolarHBondContact O-N 3.21Å; W163-S165 VanDerWaalsContact C-N 3.34Å; W163-S165 PolarHBondContact O-N 3.34Å
166	L	44.1	Very low	40.6	Very low	74 Å²	74	111.8 Å²	111.8	39%	0.387	59%	0.585	S	S	.	*	H	α-helix	trans	-69.9	-34.5	178.4	-75.8	166.3	0	0	0	112.3	L132 Y138 I162 W163 R164	L132-L166 HydrophobicContact CD1-CD2 4.08Å; L132-L166 HydrophobicContact CD2-CB 3.9Å; L132-L166 HydrophobicContact CD2-CD2 3.61Å; L132-L166 HydrophobicContact CD2-CG 4.33Å; L132-L166 HydrophobicContact CG-CD2 4.46Å; Y138-L166 PolarHBondContact OH-O 2.73Å; I162-L166 HydrophobicContact CG2-CD1 3.96Å; I162-L166 WeakPolarHBondContact O-CG 3.4Å; I162-L166 PolarHBondContact O-N 2.99Å; W163-L166 PolarHBondContact O-N 3.15Å; R164-L166 PolarHBondContact O-N 3.26Å
167	F	41.4	Very low	40.8	Very low	35 Å²	35	109.4 Å²	109.4	15%	0.154	58%	0.578	C	S	.	*	H	α-helix	trans	-86.4	-36.9	179.9	-84	-100.3	0	0	0	113.9	Y138 W163 R164 A169 H170	Y138-F167 HydrophobicContact CE2-CD2 4.22Å; Y138-F167 AromaticContact CE2-CE2 3.67Å; Y138-F167 HydrophobicContact CE2-CE2 3.67Å; Y138-F167 AromaticContact CE2-CZ 3.96Å; Y138-F167 HydrophobicContact CE2-CZ 3.96Å; W163-F167 HydrophobicContact CD2-CD2 4.34Å; W163-F167 AromaticContact CD2-CE2 3.98Å; W163-F167 HydrophobicContact CD2-CE2 3.98Å; W163-F167 AromaticContact CE3-CD2 3.47Å; W163-F167 HydrophobicContact CE3-CD2 3.47Å; W163-F167 VanDerWaalsContact CE3-CD2 3.47Å; W163-F167 AromaticContact CE3-CE2 3.04Å; W163-F167 HydrophobicContact CE3-CE2 3.04Å; W163-F167 AromaticContact CE3-CZ 3.78Å; W163-F167 HydrophobicContact CE3-CZ 3.78Å; W163-F167 AromaticContact CH2-CE2 3.83Å; W163-F167 HydrophobicContact CH2-CE2 3.83Å; W163-F167 AromaticContact CH2-CZ 3.99Å; W163-F167 HydrophobicContact CH2-CZ 3.99Å; W163-F167 AromaticContact CZ3-CD2 3.86Å; W163-F167 HydrophobicContact CZ3-CD2 3.86Å; W163-F167 HydrophobicContact CZ3-CE1 4.27Å; W163-F167 AromaticContact CZ3-CE2 2.97Å; W163-F167 HydrophobicContact CZ3-CE2 2.97Å; W163-F167 AromaticContact CZ3-CZ 3.22Å; W163-F167 HydrophobicContact CZ3-CZ 3.22Å; W163-F167 WeakPolarHBondContact O-CB 2.88Å; W163-F167 VanDerWaalsContact O-CD2 3.32Å; W163-F167 WeakPolarHBondContact O-CD2 3.4Å; W163-F167 PolarHBondContact O-N 2.87Å; R164-F167 PolarHBondContact O-N 3.12Å; F167-A169 PolarHBondContact O-N 3.13Å; F167-A169 VanDerWaalsContact O-N 3.15Å; F167-H170 PolarHBondContact O-N 2.67Å
168	F	33.9	Very low	41	Very low	136 Å²	136	108.1 Å²	108.1	60%	0.596	58%	0.578	S	S	*	*	H	α-helix	trans	-64.7	-22.1	-174.4	-137	-97.1	0	0	0	113.1	R164 H170 I171	R164-F168 VanDerWaalsContact O-CB 3.25Å; R164-F168 WeakPolarHBondContact O-CB 3.32Å; R164-F168 PolarHBondContact O-N 3.2Å; F168-H170 PolarHBondContact O-N 2.59Å; F168-H170 VanDerWaalsContact O-N 3.15Å; F168-I171 PolarHBondContact O-N 3.18Å
169	A	37.3	Very low	41.7	Very low	64 Å²	64	103.6 Å²	103.6	53%	0.529	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	-15.7	173.9	0	0	0	0	0	113.4	F167	F167-A169 PolarHBondContact O-N 3.13Å; F167-A169 VanDerWaalsContact O-N 3.15Å
170	H	40.5	Very low	42.4	Very low	77 Å²	77	107.3 Å²	107.3	36%	0.356	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.9	-7.8	178	-153.6	53.9	0	0	0	113.9	D130 F167 F168 G172	D130-H170 IonicContact OD1-CE1 3.92Å; F167-H170 PolarHBondContact O-N 2.67Å; F168-H170 PolarHBondContact O-N 2.59Å; F168-H170 VanDerWaalsContact O-N 3.15Å; H170-G172 VanDerWaalsContact C-N 3.31Å; H170-G172 PolarHBondContact O-N 3.11Å
171	I	38	Very low	43.1	Very low	114 Å²	114	110.4 Å²	110.4	59%	0.585	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	35.7	-174	-50.1	173	0	0	0	110.5	F168	F168-I171 PolarHBondContact O-N 3.18Å
172	G	33.8	Very low	43.7	Very low	76 Å²	76	109.8 Å²	109.8	78%	0.784	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-16.9	178.5	0	0	0	0	0	114.9	H170	H170-G172 VanDerWaalsContact C-N 3.31Å; H170-G172 PolarHBondContact O-N 3.11Å
173	A	37.9	Very low	44.7	Very low	88 Å²	88	108.2 Å²	108.2	73%	0.727	56%	0.564	S	S	*	*			trans	-106.9	88.9	178.4	0	0	0	0	0	109.6
174	R	34.6	Very low	46.1	Very low	222 Å²	222	109 Å²	109	84%	0.838	57%	0.573	S	S	*	*			trans	-53	148	155.9	-125.1	174.8	171.3	-155.3	-2.3	109
175	E	46.5	Very low	47.5	Very low	169 Å²	169	106.3 Å²	106.3	79%	0.79	57%	0.57	S	S	*	*			trans	96.5	37.8	-174.5	-54.7	-176.7	-164.7	0	0	115.3
176	D	44.5	Very low	48.6	Very low	103 Å²	103	104.9 Å²	104.9	55%	0.551	56%	0.564	S	S	*	*				69.3	101.3	77.9	-59.9	-40	0	0	0	116
177	L	46.3	Very low	49.7	Very low	143 Å²	143	103.1 Å²	103.1	75%	0.749	56%	0.555	S	S	*	*	S	Bend	trans	89.6	-59.2	172.6	-145.7	87.1	0	0	0	118.3	D179 F180	L177-D179 VanDerWaalsContact C-N 3.32Å; L177-D179 PolarHBondContact O-N 2.8Å; L177-F180 PolarHBondContact O-N 3.15Å
178	L	42.7	Very low	51	Low	146 Å²	146	106 Å²	106	76%	0.764	57%	0.569	S	S	*	*	H	α-helix	trans	-68.1	-34.8	-177.3	-79.1	166.5	0	0	0	112.2	F180 T182	L178-F180 VanDerWaalsContact C-N 3.35Å; L178-T182 WeakPolarHBondContact O-CG2 3.47Å; L178-T182 PolarHBondContact O-N 2.83Å
179	D	58.3	Low	52.8	Low	92 Å²	92	103.7 Å²	103.7	49%	0.492	56%	0.562	S	S	.	*	H	α-helix	trans	-74.3	-24.9	176.9	-74.7	-13.2	0	0	0	112.9	L177 T182 I183	L177-D179 VanDerWaalsContact C-N 3.32Å; L177-D179 PolarHBondContact O-N 2.8Å; D179-T182 WeakPolarHBondContact CA-OG1 3.4Å; D179-T182 PolarHBondContact O-N 3.43Å; D179-T182 PolarHBondContact O-OG1 3.15Å; D179-I183 HydrophobicContact CB-CD1 4.26Å; D179-I183 WeakPolarHBondContact O-CB 3.36Å; D179-I183 VanDerWaalsContact O-CD1 3.23Å; D179-I183 WeakPolarHBondContact O-CD1 3.25Å; D179-I183 WeakPolarHBondContact O-CG1 3.35Å; D179-I183 PolarHBondContact O-N 3.02Å
180	F	53.9	Low	54.4	Low	114 Å²	114	102.5 Å²	102.5	50%	0.5	56%	0.556	S	S	.	*	H	α-helix	trans	-66.1	-46.2	176.6	-76	-78.7	0	0	0	111.4	L177 L178 I183 I184	L177-F180 PolarHBondContact O-N 3.15Å; L178-F180 VanDerWaalsContact C-N 3.35Å; F180-I183 PolarHBondContact O-N 3.25Å; F180-I184 VanDerWaalsContact O-CB 3.25Å; F180-I184 WeakPolarHBondContact O-CB 3.3Å; F180-I184 WeakPolarHBondContact O-CD1 3.45Å; F180-I184 WeakPolarHBondContact O-CG1 3.13Å; F180-I184 PolarHBondContact O-N 3.39Å
181	E	64.6	Low	55.9	Low	131 Å²	131	99.6 Å²	99.6	61%	0.612	54%	0.542	S	S	*	.	H	α-helix	trans	-63.7	-42.6	177.7	-69	-60.1	151	0	0	111	I184 L185	E181-I184 PolarHBondContact O-N 2.9Å; E181-L185 WeakPolarHBondContact O-CB 3.37Å; E181-L185 PolarHBondContact O-N 2.82Å
182	T	58.1	Low	57.8	Low	80 Å²	80	99.7 Å²	99.7	49%	0.491	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-40.1	177.4	62	0	0	0	0	111.9	L178 D179 A186	L178-T182 WeakPolarHBondContact O-CG2 3.47Å; L178-T182 PolarHBondContact O-N 2.83Å; D179-T182 WeakPolarHBondContact CA-OG1 3.4Å; D179-T182 PolarHBondContact O-N 3.43Å; D179-T182 PolarHBondContact O-OG1 3.15Å; T182-A186 WeakPolarHBondContact O-CB 3.2Å; T182-A186 PolarHBondContact O-N 3.39Å
183	I	63.6	Low	60.1	Low	87 Å²	87	100.5 Å²	100.5	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-43.6	175.8	-69	164	0	0	0	110.7	D179 F180 D187	D179-I183 HydrophobicContact CB-CD1 4.26Å; D179-I183 WeakPolarHBondContact O-CB 3.36Å; D179-I183 VanDerWaalsContact O-CD1 3.23Å; D179-I183 WeakPolarHBondContact O-CD1 3.25Å; D179-I183 WeakPolarHBondContact O-CG1 3.35Å; D179-I183 PolarHBondContact O-N 3.02Å; F180-I183 PolarHBondContact O-N 3.25Å; I183-D187 WeakPolarHBondContact O-CB 3.02Å; I183-D187 PolarHBondContact O-N 3.49Å
184	I	66.5	Low	62	Low	86 Å²	86	98.9 Å²	98.9	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-44.9	177.6	-71.4	165.8	0	0	0	110.2	F180 E181 D187 Q188	F180-I184 VanDerWaalsContact O-CB 3.25Å; F180-I184 WeakPolarHBondContact O-CB 3.3Å; F180-I184 WeakPolarHBondContact O-CD1 3.45Å; F180-I184 WeakPolarHBondContact O-CG1 3.13Å; F180-I184 PolarHBondContact O-N 3.39Å; E181-I184 PolarHBondContact O-N 2.9Å; I184-D187 PolarHBondContact O-N 2.79Å; I184-Q188 VanDerWaalsContact O-CB 3.31Å; I184-Q188 WeakPolarHBondContact O-CB 3.5Å; I184-Q188 PolarHBondContact O-N 2.8Å
185	L	69.7	Low	64.4	Low	105 Å²	105	88.4 Å²	88.4	55%	0.55	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-44.3	178.3	-177.8	148.3	0	0	0	110.8	E181 Q188 I189	E181-L185 WeakPolarHBondContact O-CB 3.37Å; E181-L185 PolarHBondContact O-N 2.82Å; L185-Q188 PolarHBondContact O-N 3.39Å; L185-I189 HydrophobicContact CD2-CD1 3.37Å; L185-I189 HydrophobicContact CD2-CG1 4.27Å; L185-I189 HydrophobicContact CG-CD1 4.15Å; L185-I189 WeakPolarHBondContact O-CB 3.16Å; L185-I189 VanDerWaalsContact O-CG1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.01Å; L185-I189 PolarHBondContact O-N 3.35Å
186	A	63.9	Low	66.3	Low	61 Å²	61	84.9 Å²	84.9	50%	0.504	45%	0.45	S	S	.	.	H	α-helix	trans	-62.5	-42.4	175.1	0	0	0	0	0	112	T182 I189 G190	T182-A186 WeakPolarHBondContact O-CB 3.2Å; T182-A186 PolarHBondContact O-N 3.39Å; A186-I189 PolarHBondContact O-N 3Å; A186-G190 PolarHBondContact O-N 2.83Å
187	D	67.2	Low	68.3	Low	37 Å²	37	84.9 Å²	84.9	20%	0.198	45%	0.45	C	S	.	.	H	α-helix	trans	-64.7	-40.4	174.1	174.8	63.7	0	0	0	111.5	R139 I183 I184 G190 R191	R139-D187 IonicContact CZ-OD1 3.19Å; R139-D187 IonicContact NH1-OD1 2.8Å; R139-D187 PolarHBondContact NH1-OD1 3.41Å; I183-D187 WeakPolarHBondContact O-CB 3.02Å; I183-D187 PolarHBondContact O-N 3.49Å; I184-D187 PolarHBondContact O-N 2.79Å; D187-G190 PolarHBondContact O-N 2.78Å; D187-R191 VanDerWaalsContact O-CG 3.26Å; D187-R191 WeakPolarHBondContact O-CG 3.31Å; D187-R191 PolarHBondContact O-N 3.33Å; D187-R191 IonicContact OD1-NE 3.58Å; D187-R191 IonicContact OD1-NH2 3.65Å; D187-R191 IonicContact OD2-CZ 3.07Å; D187-R191 IonicContact OD2-NE 2.89Å; D187-R191 PolarHBondContact OD2-NE 3.06Å; D187-R191 VanDerWaalsContact OD2-NE 3.11Å; D187-R191 IonicContact OD2-NH2 2.59Å; D187-R191 PolarHBondContact OD2-NH2 2.94Å
188	Q	69.8	Low	70.2	Confident	95 Å²	95	79.4 Å²	79.4	44%	0.444	42%	0.42	S	S	.	.	H	α-helix	trans	-67.4	-40.8	177.4	-171.7	60.3	28.6	0	0	112.2	I184 L185 R191 F192	I184-Q188 VanDerWaalsContact O-CB 3.31Å; I184-Q188 WeakPolarHBondContact O-CB 3.5Å; I184-Q188 PolarHBondContact O-N 2.8Å; L185-Q188 PolarHBondContact O-N 3.39Å; Q188-R191 PolarHBondContact O-N 3.01Å; Q188-F192 PolarHBondContact O-N 3.34Å
189	I	71.1	Confident	72.4	Confident	87 Å²	87	72.7 Å²	72.7	45%	0.446	39%	0.386	S	S	.	.	H	α-helix	trans	-64.3	-46.3	173.9	-71	174.6	0	0	0	110.2	L185 A186 R191 F192 L193	L185-I189 HydrophobicContact CD2-CD1 3.37Å; L185-I189 HydrophobicContact CD2-CG1 4.27Å; L185-I189 HydrophobicContact CG-CD1 4.15Å; L185-I189 WeakPolarHBondContact O-CB 3.16Å; L185-I189 VanDerWaalsContact O-CG1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.01Å; L185-I189 PolarHBondContact O-N 3.35Å; A186-I189 PolarHBondContact O-N 3Å; I189-R191 PolarHBondContact O-N 3.48Å; I189-F192 PolarHBondContact O-N 3.15Å; I189-F192 VanDerWaalsContact O-N 3.11Å; I189-L193 HydrophobicContact CG2-CD1 3.85Å; I189-L193 HydrophobicContact CG2-CG 4.27Å; I189-L193 WeakPolarHBondContact O-CG 3.33Å; I189-L193 PolarHBondContact O-N 3.44Å
190	G	71.1	Confident	73.9	Confident	39 Å²	39	72.6 Å²	72.6	40%	0.402	39%	0.385	S	S	.	.	H	α-helix	trans	-59.1	-35.7	176.9	0	0	0	0	0	112.7	A186 D187 S194	A186-G190 PolarHBondContact O-N 2.83Å; D187-G190 PolarHBondContact O-N 2.78Å; G190-S194 WeakPolarHBondContact O-CB 3.14Å; G190-S194 PolarHBondContact O-N 3.43Å; G190-S194 PolarHBondContact O-OG 2.95Å
191	R	72.2	Confident	75.4	Confident	17 Å²	17	70.2 Å²	70.2	6%	0.064	38%	0.377	C	S	.	.	H	α-helix	trans	-68.9	-43.6	172.4	-72.5	176.8	-162.6	179.3	8.3	113	R143 D187 Q188 I189 L193 S194 A195 S261	R143-R191 VanDerWaalsContact CZ-NH1 3.27Å; D187-R191 VanDerWaalsContact O-CG 3.26Å; D187-R191 WeakPolarHBondContact O-CG 3.31Å; D187-R191 PolarHBondContact O-N 3.33Å; D187-R191 IonicContact OD1-NE 3.58Å; D187-R191 IonicContact OD1-NH2 3.65Å; D187-R191 IonicContact OD2-CZ 3.07Å; D187-R191 IonicContact OD2-NE 2.89Å; D187-R191 PolarHBondContact OD2-NE 3.06Å; D187-R191 VanDerWaalsContact OD2-NE 3.11Å; D187-R191 IonicContact OD2-NH2 2.59Å; D187-R191 PolarHBondContact OD2-NH2 2.94Å; Q188-R191 PolarHBondContact O-N 3.01Å; I189-R191 PolarHBondContact O-N 3.48Å; R191-L193 VanDerWaalsContact C-N 3.3Å; R191-L193 PolarHBondContact O-N 2.83Å; R191-S194 VanDerWaalsContact CA-OG 3.3Å; R191-S194 WeakPolarHBondContact CA-OG 3.36Å; R191-S194 PolarHBondContact O-N 3.45Å; R191-S194 PolarHBondContact O-OG 2.89Å; R191-A195 WeakPolarHBondContact O-CB 3.33Å; R191-A195 PolarHBondContact O-N 3.09Å; R191-S261 PolarHBondContact NH1-OG 2.97Å
192	F	78.2	Confident	76.6	Confident	115 Å²	115	64 Å²	64	50%	0.504	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-44.6	176.6	-177.8	-97.3	0	0	0	110.7	Q188 I189 A195 F196 L256	Q188-F192 PolarHBondContact O-N 3.34Å; I189-F192 PolarHBondContact O-N 3.15Å; I189-F192 VanDerWaalsContact O-N 3.11Å; F192-A195 PolarHBondContact O-N 3.15Å; F192-F196 VanDerWaalsContact O-CB 3.25Å; F192-F196 WeakPolarHBondContact O-CB 3.21Å; F192-F196 PolarHBondContact O-N 3.31Å; F192-L256 HydrophobicContact CD2-CD2 4.1Å; F192-L256 HydrophobicContact CE2-CD2 4.24Å
193	L	80.2	Confident	77.8	Confident	93 Å²	93	65.7 Å²	65.7	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-65.1	-44.8	177.2	-70.1	173.2	0	0	0	112.4	I189 R191 F196 L197	I189-L193 HydrophobicContact CG2-CD1 3.85Å; I189-L193 HydrophobicContact CG2-CG 4.27Å; I189-L193 WeakPolarHBondContact O-CG 3.33Å; I189-L193 PolarHBondContact O-N 3.44Å; R191-L193 VanDerWaalsContact C-N 3.3Å; R191-L193 PolarHBondContact O-N 2.83Å; L193-F196 PolarHBondContact O-N 3.1Å; L193-L197 WeakPolarHBondContact O-CG 3.27Å; L193-L197 PolarHBondContact O-N 3.29Å
194	S	79.4	Confident	78.4	Confident	54 Å²	54	70.2 Å²	70.2	38%	0.378	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-40	176.5	49.6	0	0	0	0	112.6	G190 R191 F196 L197 E198	G190-S194 WeakPolarHBondContact O-CB 3.14Å; G190-S194 PolarHBondContact O-N 3.43Å; G190-S194 PolarHBondContact O-OG 2.95Å; R191-S194 VanDerWaalsContact CA-OG 3.3Å; R191-S194 WeakPolarHBondContact CA-OG 3.36Å; R191-S194 PolarHBondContact O-N 3.45Å; R191-S194 PolarHBondContact O-OG 2.89Å; S194-F196 VanDerWaalsContact C-N 3.31Å; S194-F196 PolarHBondContact O-N 2.85Å; S194-L197 PolarHBondContact O-N 3.49Å; S194-E198 WeakPolarHBondContact O-CB 3.43Å; S194-E198 PolarHBondContact O-N 3.44Å
195	A	83.8	Confident	78.3	Confident	2 Å²	2	67 Å²	67	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-39.4	172.2	0	0	0	0	0	111.7	R191 F192 E198 A199 S255 L256	R191-A195 WeakPolarHBondContact O-CB 3.33Å; R191-A195 PolarHBondContact O-N 3.09Å; F192-A195 PolarHBondContact O-N 3.15Å; A195-E198 PolarHBondContact O-N 2.79Å; A195-A199 WeakPolarHBondContact O-CB 3.04Å; A195-A199 PolarHBondContact O-N 3.33Å; A195-S255 WeakPolarHBondContact O-CB 3.43Å; A195-L256 HydrophobicContact CB-CD2 4.21Å
196	F	87.5	Confident	78.2	Confident	95 Å²	95	68.3 Å²	68.3	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-42.3	177.6	-171	-107.5	0	0	0	111.9	F192 L193 S194 A199 I200 L252	F192-F196 VanDerWaalsContact O-CB 3.25Å; F192-F196 WeakPolarHBondContact O-CB 3.21Å; F192-F196 PolarHBondContact O-N 3.31Å; L193-F196 PolarHBondContact O-N 3.1Å; S194-F196 VanDerWaalsContact C-N 3.31Å; S194-F196 PolarHBondContact O-N 2.85Å; F196-A199 WeakPolarHBondContact O-CB 3.27Å; F196-A199 PolarHBondContact O-N 2.8Å; F196-I200 HydrophobicContact CD1-CD1 3.74Å; F196-I200 HydrophobicContact CE1-CD1 3.51Å; F196-I200 HydrophobicContact CE1-CG1 4.37Å; F196-I200 HydrophobicContact CZ-CD1 4.17Å; F196-I200 WeakPolarHBondContact O-CG1 3.34Å; F196-I200 PolarHBondContact O-N 3.25Å; F196-L252 HydrophobicContact CD2-CD2 3.89Å; F196-L252 HydrophobicContact CE2-CD2 4.22Å
197	L	85.4	Confident	78	Confident	103 Å²	103	70.9 Å²	70.9	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-42.7	173.1	-71.1	173.3	0	0	0	111.6	L193 S194 A199 I200 L201	L193-L197 WeakPolarHBondContact O-CG 3.27Å; L193-L197 PolarHBondContact O-N 3.29Å; S194-L197 PolarHBondContact O-N 3.49Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 2.8Å; L197-I200 PolarHBondContact O-N 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.42Å; L197-L201 PolarHBondContact O-N 3.31Å
198	E	87.1	Confident	77.6	Confident	28 Å²	28	70.7 Å²	70.7	13%	0.131	36%	0.355	C	S	.	.	H	α-helix	trans	-59.5	-43.9	173.1	-179.9	167.5	-173.1	0	0	111.2	S194 A195 I200 L201 I202 T215 K258	S194-E198 WeakPolarHBondContact O-CB 3.43Å; S194-E198 PolarHBondContact O-N 3.44Å; A195-E198 PolarHBondContact O-N 2.79Å; E198-I200 VanDerWaalsContact C-N 3.29Å; E198-I200 PolarHBondContact O-N 3.38Å; E198-L201 PolarHBondContact O-N 3.48Å; E198-I202 HydrophobicContact CG-CD1 3.48Å; E198-I202 VanDerWaalsContact CG-CD1 3.48Å; E198-I202 HydrophobicContact CG-CG1 4.15Å; E198-I202 WeakPolarHBondContact O-CB 3.37Å; E198-I202 VanDerWaalsContact O-CG1 3.28Å; E198-I202 WeakPolarHBondContact O-CG1 3.25Å; E198-I202 PolarHBondContact O-N 3.19Å; E198-T215 HydrophobicContact CG-CG2 3.81Å; E198-K258 WeakPolarHBondContact OE1-CD 3.39Å; E198-K258 IonicContact OE1-NZ 2.87Å; E198-K258 PolarHBondContact OE1-NZ 2.8Å; E198-K258 IonicContact OE2-NZ 3.42Å
199	A	89.4	Confident	77.3	Confident	6 Å²	6	72.5 Å²	72.5	5%	0.05	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-38.8	177.1	0	0	0	0	0	112	A195 F196 L197 R203 A251 L252 S255	A195-A199 WeakPolarHBondContact O-CB 3.04Å; A195-A199 PolarHBondContact O-N 3.33Å; F196-A199 WeakPolarHBondContact O-CB 3.27Å; F196-A199 PolarHBondContact O-N 2.8Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 2.8Å; A199-R203 WeakPolarHBondContact O-CB 3.26Å; A199-R203 PolarHBondContact O-N 2.73Å; A199-A251 HydrophobicContact CB-CB 4.27Å; A199-L252 HydrophobicContact CB-CD2 3.77Å; A199-L252 HydrophobicContact CB-CG 4.29Å; A199-S255 VanDerWaalsContact CA-OG 3.31Å; A199-S255 WeakPolarHBondContact CA-OG 3.13Å; A199-S255 PolarHBondContact N-OG 3.34Å
200	I	88.8	Confident	77.4	Confident	89 Å²	89	72.3 Å²	72.3	46%	0.456	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-48.3	175.4	-68.6	166.5	0	0	0	110.8	F196 L197 E198 I202 R203 R204	F196-I200 HydrophobicContact CD1-CD1 3.74Å; F196-I200 HydrophobicContact CE1-CD1 3.51Å; F196-I200 HydrophobicContact CE1-CG1 4.37Å; F196-I200 HydrophobicContact CZ-CD1 4.17Å; F196-I200 WeakPolarHBondContact O-CG1 3.34Å; F196-I200 PolarHBondContact O-N 3.25Å; L197-I200 PolarHBondContact O-N 3.28Å; E198-I200 VanDerWaalsContact C-N 3.29Å; E198-I200 PolarHBondContact O-N 3.38Å; I200-I202 VanDerWaalsContact C-N 3.34Å; I200-I202 PolarHBondContact O-N 3.48Å; I200-R203 PolarHBondContact O-N 3.2Å; I200-R204 PolarHBondContact O-N 3.19Å
201	L	86.5	Confident	77.6	Confident	65 Å²	65	71.1 Å²	71.1	34%	0.34	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-37.8	-178.9	-69.7	173.4	0	0	0	112.6	L197 E198	L197-L201 WeakPolarHBondContact O-CG 3.42Å; L197-L201 PolarHBondContact O-N 3.31Å; E198-L201 PolarHBondContact O-N 3.48Å
202	I	88.4	Confident	78.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-82.6	-26.4	-179.2	-58.6	175.5	0	0	0	111.8	E198 I200 R204 G213 T215 V225 L246	E198-I202 HydrophobicContact CG-CD1 3.48Å; E198-I202 VanDerWaalsContact CG-CD1 3.48Å; E198-I202 HydrophobicContact CG-CG1 4.15Å; E198-I202 WeakPolarHBondContact O-CB 3.37Å; E198-I202 VanDerWaalsContact O-CG1 3.28Å; E198-I202 WeakPolarHBondContact O-CG1 3.25Å; E198-I202 PolarHBondContact O-N 3.19Å; I200-I202 VanDerWaalsContact C-N 3.34Å; I200-I202 PolarHBondContact O-N 3.48Å; I202-R204 VanDerWaalsContact C-N 3.34Å; I202-R204 PolarHBondContact O-N 3.25Å; I202-G213 WeakPolarHBondContact O-CA 3.23Å; I202-G213 PolarHBondContact O-N 3.06Å; I202-T215 HydrophobicContact CD1-CG2 3.87Å; I202-T215 HydrophobicContact CG1-CG2 3.84Å; I202-V225 HydrophobicContact CD1-CG2 4.46Å; I202-V225 HydrophobicContact CG2-CB 3.63Å; I202-V225 HydrophobicContact CG2-CG1 3.98Å; I202-V225 HydrophobicContact CG2-CG2 3.99Å; I202-L246 HydrophobicContact CG2-CD1 3.88Å; I202-L246 HydrophobicContact CG2-CD2 3.52Å; I202-L246 HydrophobicContact CG2-CG 4.22Å
203	R	84.8	Confident	78.5	Confident	115 Å²	115	64.8 Å²	64.8	43%	0.434	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.8	176.2	-177.7	172.1	180	0.1	112.3	A199 I200 I248 A251	A199-R203 WeakPolarHBondContact O-CB 3.26Å; A199-R203 PolarHBondContact O-N 2.73Å; I200-R203 PolarHBondContact O-N 3.2Å; R203-I248 VanDerWaalsContact CZ-CD1 3.46Å; R203-I248 VanDerWaalsContact NH1-CD1 3.31Å; R203-I248 VanDerWaalsContact NH1-CG1 3.35Å; R203-A251 HydrophobicContact CB-CB 4.22Å
204	R	74.3	Confident	78.9	Confident	183 Å²	183	61 Å²	61	69%	0.691	32%	0.317	S	S	*	.	S	Bend	trans	-143.5	112.8	-178.7	-171.1	110.9	74.3	106.6	1.3	109.4	I200 I202 I206	I200-R204 PolarHBondContact O-N 3.19Å; I202-R204 VanDerWaalsContact C-N 3.34Å; I202-R204 PolarHBondContact O-N 3.25Å; R204-I206 PolarHBondContact O-N 3.08Å
205	S	65.7	Low	79.3	Confident	19 Å²	19	58.7 Å²	58.7	13%	0.133	30%	0.301	C	S	.	.			trans	-63.9	127.5	169.8	-175.3	0	0	0	0	109.7	F207 G212	S205-F207 VanDerWaalsContact C-N 3.33Å; S205-F207 PolarHBondContact OG-N 3.19Å; S205-F207 VanDerWaalsContact OG-N 3.16Å; S205-G212 VanDerWaalsContact CB-O 3.23Å; S205-G212 WeakPolarHBondContact CB-O 3.26Å
206	I	66.7	Low	79.3	Confident	131 Å²	131	63.1 Å²	63.1	67%	0.672	32%	0.32	S	S	*	.	S	Bend	trans	-79.3	-19.1	166.9	53.4	171.5	0	0	0	112	R204	R204-I206 PolarHBondContact O-N 3.08Å
207	F	60.4	Low	79.2	Confident	116 Å²	116	58.6 Å²	58.6	51%	0.509	30%	0.3	S	S	.	.	S	Bend	trans	-108.1	29.8	-169.8	-64.3	-64.6	0	0	0	114.3	S205 W219	S205-F207 VanDerWaalsContact C-N 3.33Å; S205-F207 PolarHBondContact OG-N 3.19Å; S205-F207 VanDerWaalsContact OG-N 3.16Å; F207-W219 HydrophobicContact CB-CG 4.42Å; F207-W219 HydrophobicContact CB-CZ2 4.46Å; F207-W219 HydrophobicContact CD1-CZ2 4.2Å; F207-W219 AromaticContact CD2-CD2 3.99Å; F207-W219 HydrophobicContact CD2-CD2 3.99Å; F207-W219 AromaticContact CD2-CE2 3.87Å; F207-W219 HydrophobicContact CD2-CG 4.09Å; F207-W219 HydrophobicContact CD2-CZ2 4.4Å; F207-W219 AromaticContact CD2-NE1 3.91Å; F207-W219 HydrophobicContact CE2-CD2 4.48Å; F207-W219 HydrophobicContact CG-CD2 4.37Å; F207-W219 AromaticContact CG-CE2 3.78Å; F207-W219 HydrophobicContact CG-CZ2 4.13Å; F207-W219 AromaticContact CG-NE1 3.61Å
208	G	59.6	Low	79.4	Confident	33 Å²	33	54 Å²	54	34%	0.34	28%	0.276	S	S	.	.			trans	175	149.8	172.8	0	0	0	0	0	113.1
209	S	62.1	Low	79.4	Confident	133 Å²	133	57.6 Å²	57.6	93%	0.93	29%	0.288	S	S	*	.	S	Bend	trans	-82.4	-11.7	-179.8	-55.1	0	0	0	0	114
210	D	74	Confident	79.3	Confident	83 Å²	83	62.1 Å²	62.1	44%	0.444	31%	0.311	S	S	.	.	S	Bend	trans	-73.5	147.4	175	-50.7	-51.8	0	0	0	111	K224	D210-K224 IonicContact OD2-NZ 2.68Å; D210-K224 PolarHBondContact OD2-NZ 2.89Å
211	P	76.1	Confident	79.1	Confident	13 Å²	13	60.4 Å²	60.4	8%	0.084	30%	0.302	C	S	.	.	S	Bend	trans	-62.1	150.3	175.3	28.6	-35.2	0	0	0	112.1	R82 D245	R82-P211 VanDerWaalsContact NH1-CG 3.26Å; P211-D245 WeakPolarHBondContact CA-OD1 3.34Å
212	G	82.2	Confident	79.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	104.3	150.4	-175.1	0	0	0	0	0	111.8	S205 V225 D245	S205-G212 VanDerWaalsContact CB-O 3.23Å; S205-G212 WeakPolarHBondContact CB-O 3.26Å; G212-V225 CarbonylContact C-O 3.58Å; G212-V225 WeakPolarHBondContact CA-O 3.31Å; G212-D245 PolarHBondContact N-OD1 3.06Å
213	G	86.9	Confident	79.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-109.6	167.1	175.1	0	0	0	0	0	112.3	I202 V225	I202-G213 WeakPolarHBondContact O-CA 3.23Å; I202-G213 PolarHBondContact O-N 3.06Å; G213-V225 PolarHBondContact N-O 3.28Å; G213-V225 VanDerWaalsContact N-O 3.13Å; G213-V225 PolarHBondContact O-N 2.84Å
214	A	88.3	Confident	79.4	Confident	12 Å²	12	55.8 Å²	55.8	10%	0.099	29%	0.285	C	S	.	.			trans	-140	137.8	177.4	0	0	0	0	0	109.5	K218 W219 L223	A214-K218 HydrophobicContact CB-CB 4.28Å; A214-W219 HydrophobicContact CB-CB 3.86Å; A214-L223 WeakPolarHBondContact CB-O 3.22Å
215	T	87	Confident	80.2	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.043	25%	0.253	C	S	.	.			trans	-68.5	165.3	160.6	58.7	0	0	0	0	109.2	D99 E198 I202 G217 K218 W219	D99-T215 WeakPolarHBondContact OD2-CB 3.31Å; D99-T215 PolarHBondContact OD2-OG1 3.5Å; E198-T215 HydrophobicContact CG-CG2 3.81Å; I202-T215 HydrophobicContact CD1-CG2 3.87Å; I202-T215 HydrophobicContact CG1-CG2 3.84Å; T215-G217 PolarHBondContact O-N 3.46Å; T215-K218 PolarHBondContact O-N 3.09Å; T215-K218 WeakPolarHBondContact OG1-CB 3.17Å; T215-K218 WeakPolarHBondContact OG1-CD 3.33Å; T215-K218 VanDerWaalsContact OG1-CG 3.3Å; T215-K218 WeakPolarHBondContact OG1-CG 3.03Å; T215-K218 PolarHBondContact OG1-NZ 3.45Å; T215-W219 WeakPolarHBondContact O-CB 3.45Å; T215-W219 PolarHBondContact O-N 3.37Å
216	F	85.2	Confident	81.3	Confident	94 Å²	94	46.2 Å²	46.2	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-56.6	-47.7	-176	-172.8	-82.3	0	0	0	112.8	I102 W219 L220	I102-F216 HydrophobicContact CD1-CD1 3.06Å; I102-F216 HydrophobicContact CD1-CE1 3.22Å; I102-F216 HydrophobicContact CD1-CG 4.08Å; I102-F216 HydrophobicContact CD1-CZ 4.32Å; F216-W219 PolarHBondContact O-N 3.41Å; F216-L220 WeakPolarHBondContact O-CB 3.43Å; F216-L220 PolarHBondContact O-N 2.83Å
217	G	85.3	Confident	82.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-34.6	178.5	0	0	0	0	0	113.1	D99 T215 L220 M221	D99-G217 WeakPolarHBondContact OD1-CA 3.01Å; D99-G217 PolarHBondContact OD1-N 2.83Å; T215-G217 PolarHBondContact O-N 3.46Å; G217-L220 PolarHBondContact O-N 3.36Å; G217-M221 WeakPolarHBondContact O-CB 3.3Å; G217-M221 WeakPolarHBondContact O-CG 3.4Å; G217-M221 PolarHBondContact O-N 3.39Å
218	K	88.3	Confident	83.6	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-43.6	173.3	-74	176.1	-173.9	62.8	0	111.1	A95 E96 D99 A214 T215 L220 M221 N222 L223 V225	A95-K218 HydrophobicContact CB-CG 4.09Å; E96-K218 IonicContact OE1-NZ 3.16Å; E96-K218 PolarHBondContact OE1-NZ 3.46Å; D99-K218 IonicContact OD2-NZ 3.79Å; A214-K218 HydrophobicContact CB-CB 4.28Å; T215-K218 PolarHBondContact O-N 3.09Å; T215-K218 WeakPolarHBondContact OG1-CB 3.17Å; T215-K218 WeakPolarHBondContact OG1-CD 3.33Å; T215-K218 VanDerWaalsContact OG1-CG 3.3Å; T215-K218 WeakPolarHBondContact OG1-CG 3.03Å; T215-K218 PolarHBondContact OG1-NZ 3.45Å; K218-L220 PolarHBondContact O-N 2.78Å; K218-M221 CarbonylContact O-C 3.59Å; K218-M221 VanDerWaalsContact O-C 3.32Å; K218-M221 PolarHBondContact O-N 3.05Å; K218-M221 VanDerWaalsContact O-N 3.15Å; K218-N222 PolarHBondContact O-N 3.26Å; K218-N222 VanDerWaalsContact O-N 3.1Å; K218-L223 CarbonylContact C-O 3.32Å; K218-L223 HydrophobicContact CB-CB 4.03Å; K218-L223 HydrophobicContact CG-CB 4.35Å; K218-L223 WeakPolarHBondContact O-CA 3.33Å; K218-L223 PolarHBondContact O-N 3.45Å; K218-V225 HydrophobicContact CD-CG2 4.1Å
219	W	88.1	Confident	84.8	Confident	104 Å²	104	39 Å²	39	39%	0.394	20%	0.203	S	C	.	.	H	α-helix	trans	-59	-47.3	174.7	172.6	73.6	0	0	0	111.2	F207 A214 T215 F216 M221 N222	F207-W219 HydrophobicContact CB-CG 4.42Å; F207-W219 HydrophobicContact CB-CZ2 4.46Å; F207-W219 HydrophobicContact CD1-CZ2 4.2Å; F207-W219 AromaticContact CD2-CD2 3.99Å; F207-W219 HydrophobicContact CD2-CD2 3.99Å; F207-W219 AromaticContact CD2-CE2 3.87Å; F207-W219 HydrophobicContact CD2-CG 4.09Å; F207-W219 HydrophobicContact CD2-CZ2 4.4Å; F207-W219 AromaticContact CD2-NE1 3.91Å; F207-W219 HydrophobicContact CE2-CD2 4.48Å; F207-W219 HydrophobicContact CG-CD2 4.37Å; F207-W219 AromaticContact CG-CE2 3.78Å; F207-W219 HydrophobicContact CG-CZ2 4.13Å; F207-W219 AromaticContact CG-NE1 3.61Å; A214-W219 HydrophobicContact CB-CB 3.86Å; T215-W219 WeakPolarHBondContact O-CB 3.45Å; T215-W219 PolarHBondContact O-N 3.37Å; F216-W219 PolarHBondContact O-N 3.41Å; W219-M221 PolarHBondContact O-N 3.45Å; W219-N222 PolarHBondContact O-N 3.01Å
220	L	85.9	Confident	85.6	Confident	101 Å²	101	38.4 Å²	38.4	53%	0.529	19%	0.186	S	C	.	.	H	α-helix	trans	-59.5	-35	176.7	-171.5	63.7	0	0	0	112.2	I98 F216 G217 K218 N222	I98-L220 HydrophobicContact CD1-CD2 4.2Å; I98-L220 HydrophobicContact CG2-CD2 4.09Å; F216-L220 WeakPolarHBondContact O-CB 3.43Å; F216-L220 PolarHBondContact O-N 2.83Å; G217-L220 PolarHBondContact O-N 3.36Å; K218-L220 PolarHBondContact O-N 2.78Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 3.03Å
221	M	85.4	Confident	85.9	Confident	53 Å²	53	36 Å²	36	26%	0.261	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	12.9	175.5	-74	-72.5	174.2	0	0	113.5	R91 A94 A95 I98 G217 K218 W219 L223	R91-M221 HydrophobicContact CG-CB 4.41Å; R91-M221 HydrophobicContact CG-SD 4.14Å; R91-M221 PolarHBondContact NE-O 2.97Å; R91-M221 PolarHBondContact NH2-O 3.42Å; A94-M221 HydrophobicContact CB-CE 3.85Å; A95-M221 HydrophobicContact CB-CB 4.05Å; A95-M221 HydrophobicContact CB-CG 3.93Å; I98-M221 HydrophobicContact CD1-CE 3.38Å; I98-M221 HydrophobicContact CD1-CG 4.04Å; G217-M221 WeakPolarHBondContact O-CB 3.3Å; G217-M221 WeakPolarHBondContact O-CG 3.4Å; G217-M221 PolarHBondContact O-N 3.39Å; K218-M221 CarbonylContact O-C 3.59Å; K218-M221 VanDerWaalsContact O-C 3.32Å; K218-M221 PolarHBondContact O-N 3.05Å; K218-M221 VanDerWaalsContact O-N 3.15Å; W219-M221 PolarHBondContact O-N 3.45Å; M221-L223 HydrophobicContact CB-CD1 4.22Å; M221-L223 HydrophobicContact CB-CG 4Å; M221-L223 WeakPolarHBondContact O-CG 3.29Å; M221-L223 PolarHBondContact O-N 3.26Å
222	N	88.1	Confident	86	Confident	61 Å²	61	37.9 Å²	37.9	33%	0.326	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	44.2	-175.4	-170.5	25.5	0	0	0	113	K218 W219 L220 P292	K218-N222 PolarHBondContact O-N 3.26Å; K218-N222 VanDerWaalsContact O-N 3.1Å; W219-N222 PolarHBondContact O-N 3.01Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 3.03Å; N222-P292 WeakPolarHBondContact O-CD 3.23Å; N222-P292 VanDerWaalsContact OD1-CG 3.31Å; N222-P292 WeakPolarHBondContact OD1-CG 3.46Å
223	L	88.9	Confident	85.7	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.188	C	C	.	.			trans	-111.8	144.6	173.6	-54.5	-175.7	0	0	0	108.8	P87 R91 A95 A214 K218 M221 V289 V290 Q291	P87-L223 HydrophobicContact CB-CD1 4.47Å; P87-L223 HydrophobicContact CB-CD2 3.43Å; P87-L223 VanDerWaalsContact CB-CD2 3.43Å; P87-L223 HydrophobicContact CG-CD2 3.84Å; R91-L223 HydrophobicContact CG-CD1 4.37Å; R91-L223 HydrophobicContact CG-CD2 4.46Å; A95-L223 HydrophobicContact CB-CD1 4.06Å; A214-L223 WeakPolarHBondContact CB-O 3.22Å; K218-L223 CarbonylContact C-O 3.32Å; K218-L223 HydrophobicContact CB-CB 4.03Å; K218-L223 HydrophobicContact CG-CB 4.35Å; K218-L223 WeakPolarHBondContact O-CA 3.33Å; K218-L223 PolarHBondContact O-N 3.45Å; M221-L223 HydrophobicContact CB-CD1 4.22Å; M221-L223 HydrophobicContact CB-CG 4Å; M221-L223 WeakPolarHBondContact O-CG 3.29Å; M221-L223 PolarHBondContact O-N 3.26Å; L223-V289 HydrophobicContact CB-CG1 4.23Å; L223-V289 HydrophobicContact CD1-CG1 4.29Å; L223-V290 WeakPolarHBondContact CA-O 3.5Å; L223-Q291 HydrophobicContact CD2-CB 4.31Å
224	K	89.1	Confident	85.1	Confident	22 Å²	22	39.8 Å²	39.8	10%	0.096	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	159.4	174.3	-64.2	-177.5	-178.7	179	0	109.4	D210 V289 V290 P292	D210-K224 IonicContact OD2-NZ 2.68Å; D210-K224 PolarHBondContact OD2-NZ 2.89Å; K224-V289 CarbonylContact O-C 3.27Å; K224-V289 WeakPolarHBondContact O-CA 2.87Å; K224-V290 HydrophobicContact CB-CG2 4.42Å; K224-V290 PolarHBondContact N-O 3.48Å; K224-V290 PolarHBondContact O-N 2.86Å; K224-P292 HydrophobicContact CD-CG 4.27Å
225	V	90.1	Very high	84.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.4	170.8	-172.8	0	0	0	0	107.7	I202 G212 G213 K218 L246 L288 V289	I202-V225 HydrophobicContact CD1-CG2 4.46Å; I202-V225 HydrophobicContact CG2-CB 3.63Å; I202-V225 HydrophobicContact CG2-CG1 3.98Å; I202-V225 HydrophobicContact CG2-CG2 3.99Å; G212-V225 CarbonylContact C-O 3.58Å; G212-V225 WeakPolarHBondContact CA-O 3.31Å; G213-V225 PolarHBondContact N-O 3.28Å; G213-V225 VanDerWaalsContact N-O 3.13Å; G213-V225 PolarHBondContact O-N 2.84Å; K218-V225 HydrophobicContact CD-CG2 4.1Å; V225-L246 HydrophobicContact CB-CD1 4.19Å; V225-L246 HydrophobicContact CG1-CD1 3.95Å; V225-L246 HydrophobicContact CG1-CD2 4.02Å; V225-L246 WeakPolarHBondContact O-CD1 3.39Å; V225-L288 WeakPolarHBondContact CA-O 3.33Å; V225-V289 HydrophobicContact CG2-CG2 4.37Å
226	V	89.3	Confident	83.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	156.8	177.2	-62.6	0	0	0	0	110.2	Y84 V240 T287 L288 V290	Y84-V226 HydrophobicContact CE1-CG1 4.43Å; Y84-V226 HydrophobicContact CE2-CG1 4.25Å; Y84-V226 HydrophobicContact CE2-CG2 4.16Å; V226-V240 HydrophobicContact CG2-CG1 4.18Å; V226-T287 CarbonylContact O-C 3.22Å; V226-T287 VanDerWaalsContact O-CA 3.32Å; V226-T287 WeakPolarHBondContact O-CA 3.34Å; V226-L288 HydrophobicContact CG2-CB 4.41Å; V226-L288 PolarHBondContact N-O 3.42Å; V226-L288 PolarHBondContact O-N 3.28Å; V226-V290 HydrophobicContact CB-CG2 4.37Å; V226-V290 HydrophobicContact CG1-CG2 3.76Å; V226-V290 HydrophobicContact CG2-CB 4.5Å; V226-V290 HydrophobicContact CG2-CG1 3.89Å; V226-V290 HydrophobicContact CG2-CG2 3.75Å
227	S	88.8	Confident	83.3	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138.9	167.4	60.4	0	0	0	0	110.6	V240 G243 A244	S227-V240 WeakPolarHBondContact O-CG1 3.4Å; S227-G243 VanDerWaalsContact O-CA 3.32Å; S227-G243 WeakPolarHBondContact O-CA 3.11Å; S227-G243 PolarHBondContact O-N 3.45Å; S227-A244 WeakPolarHBondContact CB-O 3.25Å; S227-A244 PolarHBondContact N-O 2.85Å; S227-A244 PolarHBondContact OG-N 3.24Å; S227-A244 VanDerWaalsContact OG-N 3.16Å; S227-A244 PolarHBondContact OG-O 3.39Å
228	C	86	Confident	83.1	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	120.8	178.2	179.6	0	0	0	0	110.4	E230 I231 V240 R278 G286 L288	C228-E230 VanDerWaalsContact SG-C 3.6Å; C228-E230 PolarHBondContact SG-O 3.36Å; C228-I231 VanDerWaalsContact SG-CG1 3.52Å; C228-V240 HydrophobicContact CB-CG1 3.51Å; C228-R278 PolarHBondContact SG-NH2 3.26Å; C228-G286 PolarHBondContact N-O 2.97Å; C228-G286 CarbonylContact O-C 3.6Å; C228-G286 VanDerWaalsContact O-C 3.22Å; C228-G286 WeakPolarHBondContact O-CA 3.33Å; C228-L288 HydrophobicContact CB-CB 3.89Å
229	E	84.8	Confident	82.7	Confident	125 Å²	125	44.5 Å²	44.5	58%	0.584	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	-42.7	170	-70.7	165.1	-157.3	0	0	109.6	V241 R250	E229-V241 PolarHBondContact N-O 3.29Å; E229-R250 IonicContact OE1-CZ 3.56Å; E229-R250 IonicContact OE1-NH1 3.73Å; E229-R250 PolarHBondContact OE1-NH1 3.34Å; E229-R250 IonicContact OE1-NH2 3.11Å; E229-R250 PolarHBondContact OE1-NH2 2.86Å
230	E	80.3	Confident	82.4	Confident	120 Å²	120	39.6 Å²	39.6	56%	0.561	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.4	178.5	-169	169.9	-166.8	0	0	111.1	C228 V241	C228-E230 VanDerWaalsContact SG-C 3.6Å; C228-E230 PolarHBondContact SG-O 3.36Å; E230-V241 HydrophobicContact CB-CB 4.37Å; E230-V241 PolarHBondContact N-O 3.3Å; E230-V241 PolarHBondContact O-N 3.22Å; E230-V241 VanDerWaalsContact O-N 3.08Å
231	I	80.6	Confident	82.1	Confident	31 Å²	31	36 Å²	36	16%	0.159	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.6	171.8	-50	167.9	0	0	0	107.7	C228 P233 V238 Y276 R278	C228-I231 VanDerWaalsContact SG-CG1 3.52Å; I231-P233 WeakPolarHBondContact O-CD 3.44Å; I231-V238 HydrophobicContact CG2-CB 3.96Å; I231-V238 HydrophobicContact CG2-CG1 4.04Å; I231-Y276 HydrophobicContact CD1-CD2 3.99Å; I231-Y276 HydrophobicContact CD1-CG 4.37Å; I231-R278 VanDerWaalsContact CD1-NE 3.29Å
232	I	77.9	Confident	81.7	Confident	53 Å²	53	34.4 Å²	34.4	27%	0.272	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	109.7	167.7	-53.6	169.5	0	0	0	106.6	F234 E239 V241	I232-F234 HydrophobicContact CB-CE2 4.03Å; I232-F234 HydrophobicContact CG2-CD2 4.3Å; I232-F234 HydrophobicContact CG2-CE2 3.59Å; I232-F234 HydrophobicContact CG2-CZ 3.88Å; I232-F234 WeakPolarHBondContact O-CD2 3.39Å; I232-E239 HydrophobicContact CB-CB 4.28Å; I232-E239 PolarHBondContact N-O 2.9Å; I232-E239 PolarHBondContact O-N 2.97Å; I232-V241 HydrophobicContact CD1-CG2 4.48Å
233	P	74.7	Confident	81.2	Confident	24 Å²	24	31.5 Å²	31.5	16%	0.156	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.7	176	28.2	-33.3	0	0	0	110.2	Y49 M53 I231 Y276	Y49-P233 VanDerWaalsContact OH-CG 3.32Å; Y49-P233 WeakPolarHBondContact OH-CG 3.35Å; M53-P233 HydrophobicContact CE-CG 4.16Å; M53-P233 WeakPolarHBondContact CE-O 3.05Å; I231-P233 WeakPolarHBondContact O-CD 3.44Å; P233-Y276 HydrophobicContact CB-CE1 3.95Å; P233-Y276 WeakPolarHBondContact CB-OH 3.46Å; P233-Y276 WeakPolarHBondContact CG-OH 3.07Å
234	F	75.1	Confident	80.9	Confident	17 Å²	17	33 Å²	33	8%	0.075	18%	0.177	C	C	.	.			trans	-122.9	161.7	163.8	-68.9	-87.1	0	0	0	108.1	Q57 I232 D236 V237 E239	Q57-F234 HydrophobicContact CB-CD1 3.99Å; Q57-F234 HydrophobicContact CB-CE1 4.3Å; Q57-F234 HydrophobicContact CG-CD1 3.88Å; Q57-F234 HydrophobicContact CG-CE1 4.22Å; I232-F234 HydrophobicContact CB-CE2 4.03Å; I232-F234 HydrophobicContact CG2-CD2 4.3Å; I232-F234 HydrophobicContact CG2-CE2 3.59Å; I232-F234 HydrophobicContact CG2-CZ 3.88Å; I232-F234 WeakPolarHBondContact O-CD2 3.39Å; F234-D236 VanDerWaalsContact C-N 3.28Å; F234-D236 PolarHBondContact O-N 3.45Å; F234-V237 CarbonylContact C-O 3.55Å; F234-V237 VanDerWaalsContact CA-O 3.27Å; F234-V237 WeakPolarHBondContact CA-O 3.45Å; F234-V237 HydrophobicContact CB-CG2 3.8Å; F234-V237 WeakPolarHBondContact CB-O 3.34Å; F234-V237 HydrophobicContact CG-CG2 4.4Å; F234-V237 PolarHBondContact N-O 3.37Å; F234-E239 HydrophobicContact CD2-CB 3.92Å; F234-E239 HydrophobicContact CE2-CB 3.46Å; F234-E239 VanDerWaalsContact CE2-CB 3.46Å; F234-E239 HydrophobicContact CE2-CG 4.42Å; F234-E239 WeakPolarHBondContact CE2-OE2 3.49Å
235	P	68.3	Low	80.7	Confident	40 Å²	40	35.8 Å²	35.8	26%	0.26	19%	0.193	S	C	.	.	S	Bend	trans	-54.2	-37.7	-173.9	15.2	-30.9	0	0	0	114.9
236	D	73.4	Confident	80.4	Confident	140 Å²	140	36 Å²	36	75%	0.749	19%	0.194	S	C	*	.	S	Bend	trans	-120.6	-15.7	-178	-61.2	-43.8	0	0	0	114.2	F234	F234-D236 VanDerWaalsContact C-N 3.28Å; F234-D236 PolarHBondContact O-N 3.45Å
237	V	80.8	Confident	80.1	Confident	26 Å²	26	37.8 Å²	37.8	16%	0.158	21%	0.213	C	C	.	.			trans	-132.5	165.1	-176.2	-63.2	0	0	0	0	110.3	Y84 L85 F234 I293	Y84-V237 CarbonylContact O-C 3.37Å; Y84-V237 WeakPolarHBondContact O-CA 3.23Å; L85-V237 HydrophobicContact CD1-CG1 4.2Å; F234-V237 CarbonylContact C-O 3.55Å; F234-V237 VanDerWaalsContact CA-O 3.27Å; F234-V237 WeakPolarHBondContact CA-O 3.45Å; F234-V237 HydrophobicContact CB-CG2 3.8Å; F234-V237 WeakPolarHBondContact CB-O 3.34Å; F234-V237 HydrophobicContact CG-CG2 4.4Å; F234-V237 PolarHBondContact N-O 3.37Å; V237-I293 HydrophobicContact CG1-CD1 4.06Å
238	V	81	Confident	80.1	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.1	168.7	-70.8	0	0	0	0	109.7	R83 Y84 I86 I231 V240 L288	R83-V238 CarbonylContact C-O 3.38Å; R83-V238 WeakPolarHBondContact CA-O 3.25Å; Y84-V238 PolarHBondContact N-O 3.18Å; Y84-V238 PolarHBondContact O-N 2.9Å; I86-V238 HydrophobicContact CD1-CB 4.39Å; I86-V238 HydrophobicContact CD1-CG1 3.34Å; I86-V238 HydrophobicContact CD1-CG2 4.19Å; I86-V238 HydrophobicContact CG1-CB 4.27Å; I86-V238 HydrophobicContact CG1-CG1 3.68Å; I86-V238 HydrophobicContact CG1-CG2 3.58Å; I231-V238 HydrophobicContact CG2-CB 3.96Å; I231-V238 HydrophobicContact CG2-CG1 4.04Å; V238-V240 HydrophobicContact CG2-CG2 4.35Å; V238-L288 HydrophobicContact CG2-CD2 4.43Å
239	E	79.7	Confident	80.3	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.7	172.1	-165.1	167.9	147.9	0	0	108.7	S81 R82 R83 I232 F234	S81-E239 WeakPolarHBondContact CB-OE1 3.32Å; S81-E239 PolarHBondContact OG-OE1 2.91Å; R82-E239 WeakPolarHBondContact O-CA 3.32Å; R83-E239 HydrophobicContact CG-CB 4.15Å; R83-E239 HydrophobicContact CG-CG 4.06Å; R83-E239 IonicContact CZ-OE2 2.97Å; R83-E239 IonicContact NE-OE2 3.91Å; R83-E239 PolarHBondContact NE-OE2 2.91Å; R83-E239 VanDerWaalsContact NE-OE2 3.16Å; R83-E239 IonicContact NH2-OE2 3.34Å; I232-E239 HydrophobicContact CB-CB 4.28Å; I232-E239 PolarHBondContact N-O 2.9Å; I232-E239 PolarHBondContact O-N 2.97Å; F234-E239 HydrophobicContact CD2-CB 3.92Å; F234-E239 HydrophobicContact CE2-CB 3.46Å; F234-E239 VanDerWaalsContact CE2-CB 3.46Å; F234-E239 HydrophobicContact CE2-CG 4.42Å; F234-E239 WeakPolarHBondContact CE2-OE2 3.49Å
240	V	82.1	Confident	80.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.1	-173.6	-179.9	0	0	0	0	108.3	R82 Y84 V226 S227 C228 V238 G243 L288	R82-V240 PolarHBondContact N-O 3.49Å; R82-V240 VanDerWaalsContact N-O 3.1Å; R82-V240 PolarHBondContact O-N 2.95Å; Y84-V240 HydrophobicContact CD2-CB 4.14Å; Y84-V240 HydrophobicContact CD2-CG2 3.88Å; Y84-V240 HydrophobicContact CE2-CB 4.26Å; Y84-V240 HydrophobicContact CE2-CG2 4.46Å; V226-V240 HydrophobicContact CG2-CG1 4.18Å; S227-V240 WeakPolarHBondContact O-CG1 3.4Å; C228-V240 HydrophobicContact CB-CG1 3.51Å; V238-V240 HydrophobicContact CG2-CG2 4.35Å; V240-G243 PolarHBondContact O-N 3.05Å; V240-L288 HydrophobicContact CG2-CD2 3.65Å
241	V	79.9	Confident	81	Confident	27 Å²	27	40 Å²	40	16%	0.164	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	174.4	-172.6	0	0	0	0	108.5	A79 E229 E230 I232	A79-V241 HydrophobicContact CB-CG1 3.54Å; E229-V241 PolarHBondContact N-O 3.29Å; E230-V241 HydrophobicContact CB-CB 4.37Å; E230-V241 PolarHBondContact N-O 3.3Å; E230-V241 PolarHBondContact O-N 3.22Å; E230-V241 VanDerWaalsContact O-N 3.08Å; I232-V241 HydrophobicContact CD1-CG2 4.48Å
242	P	77.3	Confident	81.4	Confident	19 Å²	19	41.1 Å²	41.1	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-77.5	-5.4	-11.1	31.4	-36.3	0	0	0	114.8	A79 P80 A244	A79-P242 HydrophobicContact CB-CB 3.83Å; P80-P242 CarbonylContact O-C 3.56Å; P242-A244 HydrophobicContact CB-CB 4.29Å; P242-A244 HydrophobicContact CG-CB 4.39Å; P242-A244 PolarHBondContact O-N 2.86Å
243	G	77.6	Confident	82	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.			trans	57.9	24.7	178.4	0	0	0	0	0	114.8	Y84 S227 V240	Y84-G243 PolarHBondContact OH-O 3.46Å; Y84-G243 VanDerWaalsContact OH-O 3.09Å; S227-G243 VanDerWaalsContact O-CA 3.32Å; S227-G243 WeakPolarHBondContact O-CA 3.11Å; S227-G243 PolarHBondContact O-N 3.45Å; V240-G243 PolarHBondContact O-N 3.05Å
244	A	83.2	Confident	82.6	Confident	33 Å²	33	39.9 Å²	39.9	27%	0.273	23%	0.225	S	C	.	.			trans	-96.9	177.4	-172.7	0	0	0	0	0	112.2	S227 P242	S227-A244 WeakPolarHBondContact CB-O 3.25Å; S227-A244 PolarHBondContact N-O 2.85Å; S227-A244 PolarHBondContact OG-N 3.24Å; S227-A244 VanDerWaalsContact OG-N 3.16Å; S227-A244 PolarHBondContact OG-O 3.39Å; P242-A244 HydrophobicContact CB-CB 4.29Å; P242-A244 HydrophobicContact CG-CB 4.39Å; P242-A244 PolarHBondContact O-N 2.86Å
245	D	84.5	Confident	83.2	Confident	79 Å²	79	39.1 Å²	39.1	42%	0.422	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-50.8	150.4	172.3	-72.2	-42.1	0	0	0	112.1	P211 G212 G247	P211-D245 WeakPolarHBondContact CA-OD1 3.34Å; G212-D245 PolarHBondContact N-OD1 3.06Å; D245-G247 PolarHBondContact O-N 2.76Å
246	L	82.5	Confident	84	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-72.9	123.2	175.4	-77.1	77.9	0	0	0	109.3	I202 V225 A251 T287	I202-L246 HydrophobicContact CG2-CD1 3.88Å; I202-L246 HydrophobicContact CG2-CD2 3.52Å; I202-L246 HydrophobicContact CG2-CG 4.22Å; V225-L246 HydrophobicContact CB-CD1 4.19Å; V225-L246 HydrophobicContact CG1-CD1 3.95Å; V225-L246 HydrophobicContact CG1-CD2 4.02Å; V225-L246 WeakPolarHBondContact O-CD1 3.39Å; L246-A251 HydrophobicContact CB-CB 4.12Å; L246-A251 HydrophobicContact CD2-CB 4.25Å; L246-T287 HydrophobicContact CD2-CG2 3.52Å; L246-T287 HydrophobicContact CG-CG2 4.09Å
247	G	84.3	Confident	84.4	Confident	38 Å²	38	35.8 Å²	35.8	39%	0.392	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-57.8	154.3	162.4	0	0	0	0	0	111	D245 I249 R250 A251	D245-G247 PolarHBondContact O-N 2.76Å; G247-I249 VanDerWaalsContact C-N 3.27Å; G247-I249 PolarHBondContact O-N 3.26Å; G247-R250 PolarHBondContact O-N 3.5Å; G247-R250 VanDerWaalsContact O-N 3.13Å; G247-A251 PolarHBondContact O-N 3.48Å
248	I	87.8	Confident	84.3	Confident	84 Å²	84	35.7 Å²	35.7	43%	0.431	20%	0.198	S	C	.	.	H	α-helix	trans	-51.2	-48.5	-177.8	-54	-179.9	0	0	0	111.4	R203 A251 L252	R203-I248 VanDerWaalsContact CZ-CD1 3.46Å; R203-I248 VanDerWaalsContact NH1-CD1 3.31Å; R203-I248 VanDerWaalsContact NH1-CG1 3.35Å; I248-A251 PolarHBondContact O-N 3.09Å; I248-L252 HydrophobicContact CG2-CD1 3.89Å; I248-L252 HydrophobicContact CG2-CG 4.5Å; I248-L252 WeakPolarHBondContact O-CB 3.5Å; I248-L252 WeakPolarHBondContact O-CG 3.3Å; I248-L252 PolarHBondContact O-N 2.78Å
249	I	90.5	Very high	83.9	Confident	134 Å²	134	37 Å²	37	69%	0.687	21%	0.208	S	C	*	.	H	α-helix	trans	-64.2	-46	-176.8	-59	173.3	0	0	0	110.2	G247 A251 L252 V253	G247-I249 VanDerWaalsContact C-N 3.27Å; G247-I249 PolarHBondContact O-N 3.26Å; I249-A251 PolarHBondContact O-N 2.85Å; I249-L252 PolarHBondContact O-N 3.3Å; I249-V253 HydrophobicContact CG2-CG2 4.21Å; I249-V253 WeakPolarHBondContact O-CB 3.35Å; I249-V253 VanDerWaalsContact O-CG2 3.27Å; I249-V253 WeakPolarHBondContact O-CG2 3.28Å; I249-V253 PolarHBondContact O-N 3.34Å
250	R	89.9	Confident	83.5	Confident	78 Å²	78	39.9 Å²	39.9	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-43.5	178.9	-66.3	-174	178.5	166.4	-1.5	111.4	E229 G247 R254 A285 T287	E229-R250 IonicContact OE1-CZ 3.56Å; E229-R250 IonicContact OE1-NH1 3.73Å; E229-R250 PolarHBondContact OE1-NH1 3.34Å; E229-R250 IonicContact OE1-NH2 3.11Å; E229-R250 PolarHBondContact OE1-NH2 2.86Å; G247-R250 PolarHBondContact O-N 3.5Å; G247-R250 VanDerWaalsContact O-N 3.13Å; R250-R254 VanDerWaalsContact O-CB 3.23Å; R250-R254 WeakPolarHBondContact O-CB 3.26Å; R250-R254 PolarHBondContact O-N 3.25Å; R250-A285 WeakPolarHBondContact CG-O 3.32Å; R250-T287 HydrophobicContact CB-CG2 4.39Å
251	A	89.8	Confident	82.3	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-43.3	177.3	0	0	0	0	0	112.3	A199 R203 L246 G247 I248 I249 S255	A199-A251 HydrophobicContact CB-CB 4.27Å; R203-A251 HydrophobicContact CB-CB 4.22Å; L246-A251 HydrophobicContact CB-CB 4.12Å; L246-A251 HydrophobicContact CD2-CB 4.25Å; G247-A251 PolarHBondContact O-N 3.48Å; I248-A251 PolarHBondContact O-N 3.09Å; I249-A251 PolarHBondContact O-N 2.85Å; A251-S255 WeakPolarHBondContact O-CB 3.35Å; A251-S255 PolarHBondContact O-N 2.92Å; A251-S255 PolarHBondContact O-OG 2.88Å
252	L	90.1	Very high	81.1	Confident	54 Å²	54	46.6 Å²	46.6	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-66.3	-49.1	177.3	-75	171	0	0	0	112.1	F196 A199 I248 I249 R254 S255 L256	F196-L252 HydrophobicContact CD2-CD2 3.89Å; F196-L252 HydrophobicContact CE2-CD2 4.22Å; A199-L252 HydrophobicContact CB-CD2 3.77Å; A199-L252 HydrophobicContact CB-CG 4.29Å; I248-L252 HydrophobicContact CG2-CD1 3.89Å; I248-L252 HydrophobicContact CG2-CG 4.5Å; I248-L252 WeakPolarHBondContact O-CB 3.5Å; I248-L252 WeakPolarHBondContact O-CG 3.3Å; I248-L252 PolarHBondContact O-N 2.78Å; I249-L252 PolarHBondContact O-N 3.3Å; L252-R254 VanDerWaalsContact C-N 3.32Å; L252-R254 PolarHBondContact O-N 2.91Å; L252-S255 PolarHBondContact O-N 2.92Å; L252-L256 WeakPolarHBondContact O-CB 3.35Å; L252-L256 VanDerWaalsContact O-CG 3.27Å; L252-L256 WeakPolarHBondContact O-CG 3.03Å; L252-L256 PolarHBondContact O-N 3.45Å
253	V	89.1	Confident	80.1	Confident	52 Å²	52	47 Å²	47	32%	0.315	26%	0.255	S	S	.	.	H	α-helix	trans	-57.4	-47.7	178.1	170.5	0	0	0	0	110.3	I249 S255 L257 I284 A285	I249-V253 HydrophobicContact CG2-CG2 4.21Å; I249-V253 WeakPolarHBondContact O-CB 3.35Å; I249-V253 VanDerWaalsContact O-CG2 3.27Å; I249-V253 WeakPolarHBondContact O-CG2 3.28Å; I249-V253 PolarHBondContact O-N 3.34Å; V253-S255 PolarHBondContact O-N 3.27Å; V253-L257 HydrophobicContact CG1-CD1 3.72Å; V253-L257 HydrophobicContact CG1-CG 4.36Å; V253-L257 WeakPolarHBondContact O-CB 3.31Å; V253-L257 WeakPolarHBondContact O-CG 3.33Å; V253-L257 PolarHBondContact O-N 3.31Å; V253-I284 HydrophobicContact CG1-CG2 4.36Å; V253-A285 HydrophobicContact CG1-CB 4.15Å
254	R	87.4	Confident	79.2	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-51.2	175.8	-178.7	-170.9	174.1	94.5	12.6	111.6	R250 L252 K258 Y281 D282 A285 T287	R250-R254 VanDerWaalsContact O-CB 3.23Å; R250-R254 WeakPolarHBondContact O-CB 3.26Å; R250-R254 PolarHBondContact O-N 3.25Å; L252-R254 VanDerWaalsContact C-N 3.32Å; L252-R254 PolarHBondContact O-N 2.91Å; R254-K258 WeakPolarHBondContact O-CB 3.29Å; R254-K258 PolarHBondContact O-N 2.85Å; R254-Y281 HydrophobicContact CG-CD2 4.45Å; R254-D282 IonicContact CZ-OD1 2.79Å; R254-D282 IonicContact NH1-OD1 3.05Å; R254-D282 PolarHBondContact NH1-OD1 3.47Å; R254-D282 IonicContact NH2-OD1 3.5Å; R254-D282 PolarHBondContact NH2-OD1 3.34Å; R254-A285 HydrophobicContact CB-CB 3.71Å; R254-A285 HydrophobicContact CG-CB 4.48Å; R254-T287 PolarHBondContact NH1-OG1 3.42Å
255	S	87.9	Confident	77.9	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.6	-37.1	-172.4	-49.8	0	0	0	0	112.3	A195 A199 A251 L252 V253 K258 S259	A195-S255 WeakPolarHBondContact O-CB 3.43Å; A199-S255 VanDerWaalsContact CA-OG 3.31Å; A199-S255 WeakPolarHBondContact CA-OG 3.13Å; A199-S255 PolarHBondContact N-OG 3.34Å; A251-S255 WeakPolarHBondContact O-CB 3.35Å; A251-S255 PolarHBondContact O-N 2.92Å; A251-S255 PolarHBondContact O-OG 2.88Å; L252-S255 PolarHBondContact O-N 2.92Å; V253-S255 PolarHBondContact O-N 3.27Å; S255-K258 PolarHBondContact O-N 3.29Å; S255-S259 WeakPolarHBondContact O-CB 3.48Å; S255-S259 PolarHBondContact O-N 2.86Å
256	L	84.5	Confident	76.9	Confident	71 Å²	71	53.8 Å²	53.8	37%	0.372	28%	0.277	S	S	.	.	H	α-helix	trans	-67	-45.2	175.3	-70.8	172.4	0	0	0	111.8	F192 A195 L252 K258 S259 T260	F192-L256 HydrophobicContact CD2-CD2 4.1Å; F192-L256 HydrophobicContact CE2-CD2 4.24Å; A195-L256 HydrophobicContact CB-CD2 4.21Å; L252-L256 WeakPolarHBondContact O-CB 3.35Å; L252-L256 VanDerWaalsContact O-CG 3.27Å; L252-L256 WeakPolarHBondContact O-CG 3.03Å; L252-L256 PolarHBondContact O-N 3.45Å; L256-K258 VanDerWaalsContact C-N 3.32Å; L256-K258 PolarHBondContact O-N 3.31Å; L256-S259 PolarHBondContact O-N 2.82Å; L256-S259 PolarHBondContact O-OG 3.04Å; L256-T260 PolarHBondContact O-N 2.96Å; L256-T260 PolarHBondContact O-OG1 3.48Å; L256-T260 VanDerWaalsContact O-OG1 3.13Å
257	L	82.3	Confident	76.1	Confident	40 Å²	40	53.8 Å²	53.8	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-43.1	175.6	-72	173.5	0	0	0	111	V253 S259 T260 L263 I284	V253-L257 HydrophobicContact CG1-CD1 3.72Å; V253-L257 HydrophobicContact CG1-CG 4.36Å; V253-L257 WeakPolarHBondContact O-CB 3.31Å; V253-L257 WeakPolarHBondContact O-CG 3.33Å; V253-L257 PolarHBondContact O-N 3.31Å; L257-S259 VanDerWaalsContact C-N 3.34Å; L257-S259 PolarHBondContact O-N 3.11Å; L257-T260 WeakPolarHBondContact O-CB 3.4Å; L257-T260 PolarHBondContact O-N 2.78Å; L257-L263 HydrophobicContact CB-CD1 4.03Å; L257-L263 HydrophobicContact CD2-CD1 3.93Å; L257-L263 WeakPolarHBondContact O-CD1 3.35Å; L257-I284 HydrophobicContact CD1-CB 3.83Å; L257-I284 HydrophobicContact CD1-CD1 4.18Å; L257-I284 HydrophobicContact CD1-CG2 3.65Å
258	K	78.8	Confident	75.4	Confident	23 Å²	23	55 Å²	55	10%	0.1	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-38.7	176.7	-168	-171.4	179.8	-168.7	0	112.8	E96 E198 R254 S255 L256 T260 Y281	E96-K258 WeakPolarHBondContact OE1-CE 3.4Å; E96-K258 IonicContact OE1-NZ 2.59Å; E96-K258 PolarHBondContact OE1-NZ 2.68Å; E96-K258 WeakPolarHBondContact OE2-CE 3.19Å; E96-K258 IonicContact OE2-NZ 3.09Å; E96-K258 PolarHBondContact OE2-NZ 3.08Å; E198-K258 WeakPolarHBondContact OE1-CD 3.39Å; E198-K258 IonicContact OE1-NZ 2.87Å; E198-K258 PolarHBondContact OE1-NZ 2.8Å; E198-K258 IonicContact OE2-NZ 3.42Å; R254-K258 WeakPolarHBondContact O-CB 3.29Å; R254-K258 PolarHBondContact O-N 2.85Å; S255-K258 PolarHBondContact O-N 3.29Å; L256-K258 VanDerWaalsContact C-N 3.32Å; L256-K258 PolarHBondContact O-N 3.31Å; K258-T260 PolarHBondContact O-N 3.41Å; K258-Y281 HydrophobicContact CG-CE1 4.26Å
259	S	73.7	Confident	74.4	Confident	33 Å²	33	54.3 Å²	54.3	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-16.2	178.3	77.1	0	0	0	0	113.9	S255 L256 L257 S261	S255-S259 WeakPolarHBondContact O-CB 3.48Å; S255-S259 PolarHBondContact O-N 2.86Å; L256-S259 PolarHBondContact O-N 2.82Å; L256-S259 PolarHBondContact O-OG 3.04Å; L257-S259 VanDerWaalsContact C-N 3.34Å; L257-S259 PolarHBondContact O-N 3.11Å; S259-S261 PolarHBondContact O-N 3.29Å
260	T	69.6	Low	73.3	Confident	67 Å²	67	48.4 Å²	48.4	41%	0.411	24%	0.242	S	C	.	.	S	Bend	trans	-74.9	107.5	176.5	-58.1	0	0	0	0	108.7	L256 L257 K258 F262 L263	L256-T260 PolarHBondContact O-N 2.96Å; L256-T260 PolarHBondContact O-OG1 3.48Å; L256-T260 VanDerWaalsContact O-OG1 3.13Å; L257-T260 WeakPolarHBondContact O-CB 3.4Å; L257-T260 PolarHBondContact O-N 2.78Å; K258-T260 PolarHBondContact O-N 3.41Å; T260-F262 PolarHBondContact O-N 3.46Å; T260-L263 HydrophobicContact CG2-CD1 4.48Å; T260-L263 WeakPolarHBondContact O-CB 3.43Å; T260-L263 PolarHBondContact O-N 2.99Å
261	S	58.3	Low	72.3	Confident	9 Å²	9	44.8 Å²	44.8	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-53	-37.2	-170.8	-44.9	0	0	0	0	113.4	T140 R191 S259 L263 T264	T140-S261 VanDerWaalsContact CG2-CB 3.43Å; T140-S261 WeakPolarHBondContact CG2-O 3.13Å; R191-S261 PolarHBondContact NH1-OG 2.97Å; S259-S261 PolarHBondContact O-N 3.29Å; S261-L263 PolarHBondContact O-N 3.33Å; S261-T264 PolarHBondContact O-N 3.46Å; S261-T264 VanDerWaalsContact O-N 3.08Å; S261-T264 PolarHBondContact O-OG1 2.93Å
262	F	55	Low	71.2	Confident	159 Å²	159	50.1 Å²	50.1	70%	0.697	25%	0.254	S	S	*	.	H	α-helix	trans	-57.4	-32.3	178.1	-174.5	-101.9	0	0	0	113.1	T260	T260-F262 PolarHBondContact O-N 3.46Å
263	L	55.3	Low	69.9	Low	28 Å²	28	52.8 Å²	52.8	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-78	-18.1	-179.5	-74.5	168.5	0	0	0	113.1	L257 T260 S261 F266 S267	L257-L263 HydrophobicContact CB-CD1 4.03Å; L257-L263 HydrophobicContact CD2-CD1 3.93Å; L257-L263 WeakPolarHBondContact O-CD1 3.35Å; T260-L263 HydrophobicContact CG2-CD1 4.48Å; T260-L263 WeakPolarHBondContact O-CB 3.43Å; T260-L263 PolarHBondContact O-N 2.99Å; S261-L263 PolarHBondContact O-N 3.33Å; L263-F266 HydrophobicContact CD2-CD1 4.28Å; L263-S267 WeakPolarHBondContact O-CA 3.16Å; L263-S267 WeakPolarHBondContact O-CB 3.36Å; L263-S267 PolarHBondContact O-N 3.4Å
264	T	58.1	Low	68.9	Low	22 Å²	22	54.1 Å²	54.1	14%	0.135	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-55.7	-176.1	55.7	0	0	0	0	112.5	P136 S261 S267 F268	P136-T264 HydrophobicContact CB-CG2 4Å; S261-T264 PolarHBondContact O-N 3.46Å; S261-T264 VanDerWaalsContact O-N 3.08Å; S261-T264 PolarHBondContact O-OG1 2.93Å; T264-S267 PolarHBondContact O-N 2.89Å; T264-F268 WeakPolarHBondContact O-CD2 3.35Å; T264-F268 PolarHBondContact O-N 3.39Å
265	F	57.2	Low	67.6	Low	137 Å²	137	61.5 Å²	61.5	60%	0.601	31%	0.309	S	S	*	.	H	α-helix	trans	-62.5	-46.7	175.8	-174.8	-97	0	0	0	111.7	S267 F268 V269	F265-S267 PolarHBondContact O-N 2.93Å; F265-F268 PolarHBondContact O-N 3.22Å; F265-V269 HydrophobicContact CD1-CG2 4.42Å; F265-V269 HydrophobicContact CE1-CG2 4.07Å; F265-V269 HydrophobicContact CZ-CG2 4.45Å; F265-V269 PolarHBondContact O-N 3.2Å
266	F	62.5	Low	66.5	Low	95 Å²	95	65 Å²	65	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-36.6	177.2	-175.3	-110.9	0	0	0	111.6	L263 F268 V269 C270 T280	L263-F266 HydrophobicContact CD2-CD1 4.28Å; F266-F268 PolarHBondContact O-N 2.96Å; F266-V269 PolarHBondContact O-N 2.96Å; F266-C270 WeakPolarHBondContact CE1-SG 3.47Å; F266-C270 WeakPolarHBondContact CZ-SG 3.36Å; F266-C270 WeakPolarHBondContact O-CB 3.5Å; F266-C270 PolarHBondContact O-N 2.81Å; F266-C270 PolarHBondContact O-SG 3.15Å; F266-T280 HydrophobicContact CE1-CG2 4.29Å
267	S	66.3	Low	65.7	Low	4 Å²	4	64.7 Å²	64.7	3%	0.028	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-35.1	178.7	-176.2	0	0	0	0	112.6	L263 T264 F265 M271 C279 Y281	L263-S267 WeakPolarHBondContact O-CA 3.16Å; L263-S267 WeakPolarHBondContact O-CB 3.36Å; L263-S267 PolarHBondContact O-N 3.4Å; T264-S267 PolarHBondContact O-N 2.89Å; F265-S267 PolarHBondContact O-N 2.93Å; S267-M271 VanDerWaalsContact O-CB 3.25Å; S267-M271 WeakPolarHBondContact O-CB 3.42Å; S267-M271 PolarHBondContact O-N 3.38Å; S267-C279 WeakPolarHBondContact OG-CB 3.32Å; S267-C279 PolarHBondContact OG-SG 2.96Å; S267-Y281 WeakPolarHBondContact OG-CE1 3.43Å
268	F	69.1	Low	65.2	Low	63 Å²	63	64.3 Å²	64.3	28%	0.276	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-42.7	174.7	-76.4	-67.1	0	0	0	111.4	I93 T264 F265 F266 M271 M272	I93-F268 HydrophobicContact CB-CE1 4.44Å; I93-F268 HydrophobicContact CG1-CD1 4.02Å; I93-F268 HydrophobicContact CG1-CE1 3.7Å; I93-F268 HydrophobicContact CG2-CE1 4.5Å; T264-F268 WeakPolarHBondContact O-CD2 3.35Å; T264-F268 PolarHBondContact O-N 3.39Å; F265-F268 PolarHBondContact O-N 3.22Å; F266-F268 PolarHBondContact O-N 2.96Å; F268-M271 HydrophobicContact CD1-CE 4.27Å; F268-M271 PolarHBondContact O-N 3Å; F268-M272 PolarHBondContact O-N 3.5Å
269	V	67.4	Low	64.9	Low	71 Å²	71	63.6 Å²	63.6	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-48.9	174.1	178.6	0	0	0	0	110	F265 F266 M271 M272 V273	F265-V269 HydrophobicContact CD1-CG2 4.42Å; F265-V269 HydrophobicContact CE1-CG2 4.07Å; F265-V269 HydrophobicContact CZ-CG2 4.45Å; F265-V269 PolarHBondContact O-N 3.2Å; F266-V269 PolarHBondContact O-N 2.96Å; V269-M271 VanDerWaalsContact C-N 3.33Å; V269-M271 PolarHBondContact O-N 3.23Å; V269-M272 PolarHBondContact O-N 3.33Å; V269-M272 VanDerWaalsContact O-N 3.1Å; V269-V273 HydrophobicContact CG1-CG2 4.49Å; V269-V273 WeakPolarHBondContact O-CG2 3.4Å; V269-V273 PolarHBondContact O-N 3.13Å; V269-V273 VanDerWaalsContact O-N 3.15Å
270	C	66.8	Low	65	Low	9 Å²	9	63.1 Å²	63.1	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-37.2	176.9	-79.2	0	0	0	0	113.3	F266 M272 V273 F274 T280	F266-C270 WeakPolarHBondContact CE1-SG 3.47Å; F266-C270 WeakPolarHBondContact CZ-SG 3.36Å; F266-C270 WeakPolarHBondContact O-CB 3.5Å; F266-C270 PolarHBondContact O-N 2.81Å; F266-C270 PolarHBondContact O-SG 3.15Å; C270-M272 PolarHBondContact O-N 3.49Å; C270-V273 PolarHBondContact O-N 3.14Å; C270-V273 VanDerWaalsContact O-N 3.09Å; C270-F274 HydrophobicContact CB-CD2 3.59Å; C270-F274 HydrophobicContact CB-CE2 3.48Å; C270-F274 VanDerWaalsContact CB-CE2 3.48Å; C270-F274 WeakPolarHBondContact O-CB 3.32Å; C270-F274 VanDerWaalsContact O-CD2 3.23Å; C270-F274 WeakPolarHBondContact O-CD2 3.45Å; C270-F274 PolarHBondContact O-N 2.92Å; C270-F274 VanDerWaalsContact SG-CE2 3.58Å; C270-T280 WeakPolarHBondContact CB-OG1 3.36Å; C270-T280 PolarHBondContact SG-OG1 2.82Å
271	M	69.9	Low	65.6	Low	3 Å²	3	60.6 Å²	60.6	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-30.4	176.1	-171.6	-173.5	65.1	0	0	112.1	P89 R92 I93 S267 F268 V269 H277	P89-M271 HydrophobicContact CB-CE 3.79Å; R92-M271 HydrophobicContact CB-SD 4.21Å; I93-M271 HydrophobicContact CD1-CE 3.96Å; I93-M271 HydrophobicContact CG1-CE 3.9Å; S267-M271 VanDerWaalsContact O-CB 3.25Å; S267-M271 WeakPolarHBondContact O-CB 3.42Å; S267-M271 PolarHBondContact O-N 3.38Å; F268-M271 HydrophobicContact CD1-CE 4.27Å; F268-M271 PolarHBondContact O-N 3Å; V269-M271 VanDerWaalsContact C-N 3.33Å; V269-M271 PolarHBondContact O-N 3.23Å; M271-H277 HydrophobicContact CG-CB 3.95Å; M271-H277 WeakPolarHBondContact CG-O 3.32Å; M271-H277 WeakPolarHBondContact O-CA 3.21Å; M271-H277 PolarHBondContact O-ND1 2.9Å; M271-H277 VanDerWaalsContact O-ND1 3.12Å
272	M	65.7	Low	66.8	Low	112 Å²	112	60.1 Å²	60.1	55%	0.552	29%	0.288	S	S	*	.	H	α-helix	trans	-80.6	-25	175.1	-64.4	-61.7	-178.4	0	0	112.6	P89 I93 F268 V269 C270	P89-M272 HydrophobicContact CB-CE 4.08Å; P89-M272 HydrophobicContact CB-SD 4.37Å; I93-M272 HydrophobicContact CD1-CE 4.17Å; F268-M272 PolarHBondContact O-N 3.5Å; V269-M272 PolarHBondContact O-N 3.33Å; V269-M272 VanDerWaalsContact O-N 3.1Å; C270-M272 PolarHBondContact O-N 3.49Å
273	V	63.3	Low	68.1	Low	110 Å²	110	56.3 Å²	56.3	67%	0.667	27%	0.274	S	S	*	.	H	α-helix	trans	-94	-38.3	-176.1	175.7	0	0	0	0	113	V269 C270	V269-V273 HydrophobicContact CG1-CG2 4.49Å; V269-V273 WeakPolarHBondContact O-CG2 3.4Å; V269-V273 PolarHBondContact O-N 3.13Å; V269-V273 VanDerWaalsContact O-N 3.15Å; C270-V273 PolarHBondContact O-N 3.14Å; C270-V273 VanDerWaalsContact O-N 3.09Å
274	F	68.2	Low	69.4	Low	80 Å²	80	60 Å²	60	35%	0.351	29%	0.293	S	S	.	.	S	Bend	trans	-77.4	143.4	-175.6	-72.9	-54.6	0	0	0	112.8	C270 H277 R278 I283	C270-F274 HydrophobicContact CB-CD2 3.59Å; C270-F274 HydrophobicContact CB-CE2 3.48Å; C270-F274 VanDerWaalsContact CB-CE2 3.48Å; C270-F274 WeakPolarHBondContact O-CB 3.32Å; C270-F274 VanDerWaalsContact O-CD2 3.23Å; C270-F274 WeakPolarHBondContact O-CD2 3.45Å; C270-F274 PolarHBondContact O-N 2.92Å; C270-F274 VanDerWaalsContact SG-CE2 3.58Å; F274-H277 PolarHBondContact O-N 2.95Å; F274-R278 WeakPolarHBondContact CD2-O 3.33Å; F274-I283 HydrophobicContact CD1-CD1 4.33Å; F274-I283 HydrophobicContact CD2-CD1 3.96Å; F274-I283 HydrophobicContact CE1-CD1 4.42Å; F274-I283 HydrophobicContact CE2-CD1 4.04Å; F274-I283 HydrophobicContact CG-CD1 4.12Å; F274-I283 HydrophobicContact CZ-CD1 4.29Å
275	Q	60.2	Low	70.8	Confident	156 Å²	156	59.2 Å²	59.2	73%	0.729	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-57.5	139.5	172	-65.1	-170.1	-7.1	0	0	110.6	H277	Q275-H277 PolarHBondContact O-N 3.25Å
276	Y	64.3	Low	72.2	Confident	72 Å²	72	53.4 Å²	53.4	28%	0.282	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	64.7	16.7	-176.1	-44.4	-73.4	0	0	0	115.8	I86 I231 P233 R278	I86-Y276 HydrophobicContact CD1-CD1 3.53Å; I86-Y276 HydrophobicContact CD1-CG 4.17Å; I231-Y276 HydrophobicContact CD1-CD2 3.99Å; I231-Y276 HydrophobicContact CD1-CG 4.37Å; P233-Y276 HydrophobicContact CB-CE1 3.95Å; P233-Y276 WeakPolarHBondContact CB-OH 3.46Å; P233-Y276 WeakPolarHBondContact CG-OH 3.07Å; Y276-R278 VanDerWaalsContact C-N 3.25Å; Y276-R278 PolarHBondContact O-N 3.3Å
277	H	68.4	Low	73.4	Confident	66 Å²	66	48.9 Å²	48.9	31%	0.306	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	57	36.5	178.5	-55.6	-63.2	0	0	0	113.3	P89 R92 M271 F274 Q275	P89-H277 HydrophobicContact CG-CB 4.3Å; P89-H277 WeakPolarHBondContact CG-ND1 3.46Å; R92-H277 PolarHBondContact NH1-O 2.69Å; M271-H277 HydrophobicContact CG-CB 3.95Å; M271-H277 WeakPolarHBondContact CG-O 3.32Å; M271-H277 WeakPolarHBondContact O-CA 3.21Å; M271-H277 PolarHBondContact O-ND1 2.9Å; M271-H277 VanDerWaalsContact O-ND1 3.12Å; F274-H277 PolarHBondContact O-N 2.95Å; Q275-H277 PolarHBondContact O-N 3.25Å
278	R	70.5	Confident	74.4	Confident	32 Å²	32	48.8 Å²	48.8	12%	0.121	25%	0.247	C	C	.	.			trans	-75.2	136.1	176.4	-76.1	-173.8	161.1	-169.4	-6.7	111.2	C228 I231 F274 Y276 I283 L288	C228-R278 PolarHBondContact SG-NH2 3.26Å; I231-R278 VanDerWaalsContact CD1-NE 3.29Å; F274-R278 WeakPolarHBondContact CD2-O 3.33Å; Y276-R278 VanDerWaalsContact C-N 3.25Å; Y276-R278 PolarHBondContact O-N 3.3Å; R278-I283 HydrophobicContact CB-CD1 4.22Å; R278-I283 HydrophobicContact CB-CG1 3.9Å; R278-L288 HydrophobicContact CG-CD1 3.89Å
279	C	73.9	Confident	75.4	Confident	7 Å²	7	46.1 Å²	46.1	5%	0.047	24%	0.236	C	C	.	.			trans	-75	151.6	167.9	-66.9	0	0	0	0	110.2	S267 Y281 D282 I283	S267-C279 WeakPolarHBondContact OG-CB 3.32Å; S267-C279 PolarHBondContact OG-SG 2.96Å; C279-Y281 HydrophobicContact CB-CD1 3.99Å; C279-Y281 HydrophobicContact CB-CD2 3.88Å; C279-Y281 HydrophobicContact CB-CE1 3.57Å; C279-Y281 HydrophobicContact CB-CE2 3.4Å; C279-Y281 HydrophobicContact CB-CG 4.14Å; C279-Y281 PolarHBondContact O-N 2.87Å; C279-Y281 VanDerWaalsContact SG-CZ 3.6Å; C279-Y281 PolarHBondContact SG-OH 2.69Å; C279-D282 HydrophobicContact CB-CB 4.33Å; C279-D282 WeakPolarHBondContact O-CA 3.29Å; C279-D282 VanDerWaalsContact O-CB 3.3Å; C279-D282 WeakPolarHBondContact O-CB 3.42Å; C279-D282 PolarHBondContact O-N 3.14Å; C279-I283 PolarHBondContact O-N 3.13Å
280	T	75.2	Confident	76.4	Confident	23 Å²	23	42.7 Å²	42.7	14%	0.141	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-39	-179	-46.8	0	0	0	0	112.1	F266 C270 D282 I283 I284	F266-T280 HydrophobicContact CE1-CG2 4.29Å; C270-T280 WeakPolarHBondContact CB-OG1 3.36Å; C270-T280 PolarHBondContact SG-OG1 2.82Å; T280-D282 VanDerWaalsContact C-N 3.29Å; T280-D282 PolarHBondContact O-N 3.39Å; T280-I283 PolarHBondContact O-N 3.42Å; T280-I284 HydrophobicContact CG2-CD1 4.21Å; T280-I284 WeakPolarHBondContact O-CG1 3.5Å; T280-I284 PolarHBondContact O-N 3.27Å
281	Y	81.6	Confident	77.4	Confident	14 Å²	14	44.2 Å²	44.2	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-27.6	175.8	53.5	-107.4	0	0	0	113.2	R254 K258 S267 C279 A285	R254-Y281 HydrophobicContact CG-CD2 4.45Å; K258-Y281 HydrophobicContact CG-CE1 4.26Å; S267-Y281 WeakPolarHBondContact OG-CE1 3.43Å; C279-Y281 HydrophobicContact CB-CD1 3.99Å; C279-Y281 HydrophobicContact CB-CD2 3.88Å; C279-Y281 HydrophobicContact CB-CE1 3.57Å; C279-Y281 HydrophobicContact CB-CE2 3.4Å; C279-Y281 HydrophobicContact CB-CG 4.14Å; C279-Y281 PolarHBondContact O-N 2.87Å; C279-Y281 VanDerWaalsContact SG-CZ 3.6Å; C279-Y281 PolarHBondContact SG-OH 2.69Å; Y281-A285 WeakPolarHBondContact O-CB 3.47Å; Y281-A285 PolarHBondContact O-N 2.86Å
282	D	84.3	Confident	78	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.7	-41.1	177.5	-75.5	-16.1	0	0	0	110.6	R254 C279 T280 G286 T287	R254-D282 IonicContact CZ-OD1 2.79Å; R254-D282 IonicContact NH1-OD1 3.05Å; R254-D282 PolarHBondContact NH1-OD1 3.47Å; R254-D282 IonicContact NH2-OD1 3.5Å; R254-D282 PolarHBondContact NH2-OD1 3.34Å; C279-D282 HydrophobicContact CB-CB 4.33Å; C279-D282 WeakPolarHBondContact O-CA 3.29Å; C279-D282 VanDerWaalsContact O-CB 3.3Å; C279-D282 WeakPolarHBondContact O-CB 3.42Å; C279-D282 PolarHBondContact O-N 3.14Å; T280-D282 VanDerWaalsContact C-N 3.29Å; T280-D282 PolarHBondContact O-N 3.39Å; D282-G286 PolarHBondContact O-N 3.26Å; D282-T287 WeakPolarHBondContact CB-O 3.4Å; D282-T287 PolarHBondContact O-N 3.25Å; D282-T287 PolarHBondContact OD1-OG1 3.01Å
283	I	82.1	Confident	78.7	Confident	78 Å²	78	43.2 Å²	43.2	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-50.6	176.6	-59.7	171.3	0	0	0	109.6	F274 R278 C279 T280 A285 G286	F274-I283 HydrophobicContact CD1-CD1 4.33Å; F274-I283 HydrophobicContact CD2-CD1 3.96Å; F274-I283 HydrophobicContact CE1-CD1 4.42Å; F274-I283 HydrophobicContact CE2-CD1 4.04Å; F274-I283 HydrophobicContact CG-CD1 4.12Å; F274-I283 HydrophobicContact CZ-CD1 4.29Å; R278-I283 HydrophobicContact CB-CD1 4.22Å; R278-I283 HydrophobicContact CB-CG1 3.9Å; C279-I283 PolarHBondContact O-N 3.13Å; T280-I283 PolarHBondContact O-N 3.42Å; I283-A285 PolarHBondContact O-N 3.49Å; I283-G286 PolarHBondContact O-N 2.89Å
284	I	83.2	Confident	78.8	Confident	105 Å²	105	42.5 Å²	42.5	54%	0.538	22%	0.215	S	C	.	.	H	α-helix	trans	-65.4	-40.6	-178.1	-62.4	166.7	0	0	0	111.3	V253 L257 T280 G286	V253-I284 HydrophobicContact CG1-CG2 4.36Å; L257-I284 HydrophobicContact CD1-CB 3.83Å; L257-I284 HydrophobicContact CD1-CD1 4.18Å; L257-I284 HydrophobicContact CD1-CG2 3.65Å; T280-I284 HydrophobicContact CG2-CD1 4.21Å; T280-I284 WeakPolarHBondContact O-CG1 3.5Å; T280-I284 PolarHBondContact O-N 3.27Å; I284-G286 VanDerWaalsContact C-N 3.28Å; I284-G286 PolarHBondContact O-N 3.14Å
285	A	85.8	Confident	78.2	Confident	6 Å²	6	43.9 Å²	43.9	5%	0.05	23%	0.231	C	C	.	.	H	α-helix	trans	-78.1	-10	-179.4	0	0	0	0	0	113.9	R250 V253 R254 Y281 I283 T287	R250-A285 WeakPolarHBondContact CG-O 3.32Å; V253-A285 HydrophobicContact CG1-CB 4.15Å; R254-A285 HydrophobicContact CB-CB 3.71Å; R254-A285 HydrophobicContact CG-CB 4.48Å; Y281-A285 WeakPolarHBondContact O-CB 3.47Å; Y281-A285 PolarHBondContact O-N 2.86Å; I283-A285 PolarHBondContact O-N 3.49Å; A285-T287 HydrophobicContact CB-CG2 3.99Å
286	G	86.6	Confident	77.5	Confident	16 Å²	16	42.6 Å²	42.6	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	48.5	-172.9	0	0	0	0	0	111.7	C228 D282 I283 I284	C228-G286 PolarHBondContact N-O 2.97Å; C228-G286 CarbonylContact O-C 3.6Å; C228-G286 VanDerWaalsContact O-C 3.22Å; C228-G286 WeakPolarHBondContact O-CA 3.33Å; D282-G286 PolarHBondContact O-N 3.26Å; I283-G286 PolarHBondContact O-N 2.89Å; I284-G286 VanDerWaalsContact C-N 3.28Å; I284-G286 PolarHBondContact O-N 3.14Å
287	T	88.8	Confident	76.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	159.3	-177.2	60.4	0	0	0	0	111	V226 L246 R250 R254 D282 A285	V226-T287 CarbonylContact O-C 3.22Å; V226-T287 VanDerWaalsContact O-CA 3.32Å; V226-T287 WeakPolarHBondContact O-CA 3.34Å; L246-T287 HydrophobicContact CD2-CG2 3.52Å; L246-T287 HydrophobicContact CG-CG2 4.09Å; R250-T287 HydrophobicContact CB-CG2 4.39Å; R254-T287 PolarHBondContact NH1-OG1 3.42Å; D282-T287 WeakPolarHBondContact CB-O 3.4Å; D282-T287 PolarHBondContact O-N 3.25Å; D282-T287 PolarHBondContact OD1-OG1 3.01Å; A285-T287 HydrophobicContact CB-CG2 3.99Å
288	L	88.1	Confident	74.5	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133.3	177.4	-176.6	68.2	0	0	0	110.3	V225 V226 C228 V238 V240 R278 V290	V225-L288 WeakPolarHBondContact CA-O 3.33Å; V226-L288 HydrophobicContact CG2-CB 4.41Å; V226-L288 PolarHBondContact N-O 3.42Å; V226-L288 PolarHBondContact O-N 3.28Å; C228-L288 HydrophobicContact CB-CB 3.89Å; V238-L288 HydrophobicContact CG2-CD2 4.43Å; V240-L288 HydrophobicContact CG2-CD2 3.65Å; R278-L288 HydrophobicContact CG-CD1 3.89Å; L288-V290 HydrophobicContact CB-CG1 4.29Å; L288-V290 HydrophobicContact CD2-CG1 3.58Å; L288-V290 HydrophobicContact CG-CG1 3.7Å
289	V	89.2	Confident	72.7	Confident	7 Å²	7	56 Å²	56	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.8	168.8	-173	0	0	0	0	108.8	P87 R92 L223 K224 V225	P87-V289 WeakPolarHBondContact CD-O 3.41Å; P87-V289 HydrophobicContact CG-CG1 4.11Å; R92-V289 PolarHBondContact NH2-O 3.38Å; L223-V289 HydrophobicContact CB-CG1 4.23Å; L223-V289 HydrophobicContact CD1-CG1 4.29Å; K224-V289 CarbonylContact O-C 3.27Å; K224-V289 WeakPolarHBondContact O-CA 2.87Å; V225-V289 HydrophobicContact CG2-CG2 4.37Å
290	V	88.8	Confident	70.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.1	-173.7	-66.7	0	0	0	0	111	Y84 L223 K224 V226 L288	Y84-V290 HydrophobicContact CD1-CB 4.08Å; Y84-V290 HydrophobicContact CD1-CG2 3.74Å; Y84-V290 HydrophobicContact CD2-CB 4.34Å; Y84-V290 HydrophobicContact CD2-CG1 4.12Å; Y84-V290 HydrophobicContact CD2-CG2 4.25Å; Y84-V290 HydrophobicContact CE1-CG2 4.12Å; Y84-V290 HydrophobicContact CG-CB 3.77Å; Y84-V290 HydrophobicContact CG-CG1 3.99Å; Y84-V290 HydrophobicContact CG-CG2 3.82Å; L223-V290 WeakPolarHBondContact CA-O 3.5Å; K224-V290 HydrophobicContact CB-CG2 4.42Å; K224-V290 PolarHBondContact N-O 3.48Å; K224-V290 PolarHBondContact O-N 2.86Å; V226-V290 HydrophobicContact CB-CG2 4.37Å; V226-V290 HydrophobicContact CG1-CG2 3.76Å; V226-V290 HydrophobicContact CG2-CB 4.5Å; V226-V290 HydrophobicContact CG2-CG1 3.89Å; V226-V290 HydrophobicContact CG2-CG2 3.75Å; L288-V290 HydrophobicContact CB-CG1 4.29Å; L288-V290 HydrophobicContact CD2-CG1 3.58Å; L288-V290 HydrophobicContact CG-CG1 3.7Å
291	Q	87.7	Confident	69.2	Low	40 Å²	40	64.1 Å²	64.1	19%	0.187	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.6	165.9	178.1	175.5	7.4	0	0	108.6	L85 L223 I293	L85-Q291 HydrophobicContact CB-CB 4.04Å; L85-Q291 PolarHBondContact N-O 3.23Å; L85-Q291 PolarHBondContact O-N 3.36Å; L223-Q291 HydrophobicContact CD2-CB 4.31Å; Q291-I293 PolarHBondContact O-N 2.85Å
292	P	83.2	Confident	67.4	Low	14 Å²	14	66.9 Å²	66.9	9%	0.091	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.3	172.9	27.8	-33.1	0	0	0	109.8	N222 K224 T294	N222-P292 WeakPolarHBondContact O-CD 3.23Å; N222-P292 VanDerWaalsContact OD1-CG 3.31Å; N222-P292 WeakPolarHBondContact OD1-CG 3.46Å; K224-P292 HydrophobicContact CD-CG 4.27Å; P292-T294 PolarHBondContact O-N 3.49Å; P292-T294 VanDerWaalsContact O-N 3.1Å
293	I	79.6	Confident	65.3	Low	81 Å²	81	71.7 Å²	71.7	42%	0.415	41%	0.409	S	S	.	.			trans	-72.2	102.3	166.6	-60.6	163.6	0	0	0	105.3	R83 L85 V237 Q291 P295	R83-I293 HydrophobicContact CB-CD1 3.96Å; R83-I293 WeakPolarHBondContact O-CD1 3.36Å; L85-I293 HydrophobicContact CD1-CD1 4.21Å; L85-I293 HydrophobicContact CD1-CG1 3.4Å; V237-I293 HydrophobicContact CG1-CD1 4.06Å; Q291-I293 PolarHBondContact O-N 2.85Å; I293-P295 VanDerWaalsContact O-CD 3.26Å; I293-P295 WeakPolarHBondContact O-CD 3.41Å
294	T	66.2	Low	63.5	Low	95 Å²	95	71.1 Å²	71.1	58%	0.583	41%	0.407	S	S	*	.			trans	-61.8	119.2	165.7	-55.7	0	0	0	0	106.1	P292 T296	P292-T294 PolarHBondContact O-N 3.49Å; P292-T294 VanDerWaalsContact O-N 3.1Å; T294-T296 PolarHBondContact O-N 3.18Å
295	P	55.6	Low	61.6	Low	108 Å²	108	71.6 Å²	71.6	70%	0.701	41%	0.407	S	S	*	.			trans	-59.9	110.3	168.9	23.7	-29.1	0	0	0	105.5	I293 T297	I293-P295 VanDerWaalsContact O-CD 3.26Å; I293-P295 WeakPolarHBondContact O-CD 3.41Å; P295-T297 PolarHBondContact O-N 3.25Å
296	T	44.6	Very low	59.7	Low	130 Å²	130	76.9 Å²	76.9	80%	0.798	43%	0.431	S	S	*	.			trans	-57.9	106	170.5	32.4	0	0	0	0	106.3	T294 N298	T294-T296 PolarHBondContact O-N 3.18Å; T296-N298 PolarHBondContact O-N 3.09Å
297	T	36.3	Very low	57.9	Low	132 Å²	132	83.6 Å²	83.6	81%	0.81	45%	0.451	S	S	*	.			trans	-47.1	107.7	163.1	-59.6	0	0	0	0	106.9	P295 Q299	P295-T297 PolarHBondContact O-N 3.25Å; T297-Q299 PolarHBondContact O-N 3.44Å
298	N	34.4	Very low	56	Low	142 Å²	142	89 Å²	89	76%	0.759	48%	0.476	S	S	*	.			trans	20.4	89.1	166.2	-63	-22.1	0	0	0	114.8	T296 P300	T296-N298 PolarHBondContact O-N 3.09Å; N298-P300 VanDerWaalsContact O-CD 3.3Å; N298-P300 WeakPolarHBondContact O-CD 3.43Å
299	Q	32	Very low	54.2	Low	176 Å²	176	94.8 Å²	94.8	82%	0.822	50%	0.504	S	S	*	.			trans	-69.2	113.8	136.8	-97.1	-174.9	-17	0	0	104.9	T297 N301	T297-Q299 PolarHBondContact O-N 3.44Å; Q299-N301 PolarHBondContact O-N 3.18Å
300	P	35.7	Very low	52.6	Low	99 Å²	99	101 Å²	101	64%	0.643	53%	0.532	S	S	*	.			trans	-56.2	136.2	176.1	24.3	-31.1	0	0	0	107.8	N298 S302	N298-P300 VanDerWaalsContact O-CD 3.3Å; N298-P300 WeakPolarHBondContact O-CD 3.43Å; P300-S302 VanDerWaalsContact C-N 3.29Å; P300-S302 PolarHBondContact O-N 2.81Å
301	N	39.3	Very low	51	Low	103 Å²	103	108.2 Å²	108.2	55%	0.551	57%	0.566	S	S	*	*			trans	-49.4	84.6	179.7	-74.9	-45.2	0	0	0	112.5	Q299 N303 N304 E305	Q299-N301 PolarHBondContact O-N 3.18Å; N301-N303 PolarHBondContact O-N 3.23Å; N301-N304 HydrophobicContact CB-CB 3.71Å; N301-N304 PolarHBondContact ND2-ND2 3Å; N301-N304 PolarHBondContact O-N 2.92Å; N301-E305 PolarHBondContact O-N 2.97Å; N301-E305 VanDerWaalsContact O-N 3.13Å
302	S	44.1	Very low	49.3	Very low	72 Å²	72	116.2 Å²	116.2	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-59.3	-23.7	164.6	44.4	0	0	0	0	111.2	P300 Q306	P300-S302 VanDerWaalsContact C-N 3.29Å; P300-S302 PolarHBondContact O-N 2.81Å; S302-Q306 PolarHBondContact O-N 3.42Å
303	N	40.4	Very low	47.9	Very low	100 Å²	100	123.9 Å²	123.9	54%	0.535	63%	0.629	S	S	.	*	H	α-helix	trans	-77	-19	173.4	-74.3	-1.3	0	0	0	114.6	N301 R307	N301-N303 PolarHBondContact O-N 3.23Å; N303-R307 PolarHBondContact O-NE 2.99Å
304	N	45	Very low	46.5	Very low	66 Å²	66	131 Å²	131	35%	0.353	66%	0.661	S	S	.	*	H	α-helix	trans	-90.1	-28.9	170.3	-73.7	-4.9	0	0	0	111	N301 R307 Q308	N301-N304 HydrophobicContact CB-CB 3.71Å; N301-N304 PolarHBondContact ND2-ND2 3Å; N301-N304 PolarHBondContact O-N 2.92Å; N304-R307 PolarHBondContact O-N 3.4Å; N304-Q308 WeakPolarHBondContact O-CB 3.18Å; N304-Q308 VanDerWaalsContact O-CG 3.29Å; N304-Q308 WeakPolarHBondContact O-CG 3.5Å; N304-Q308 PolarHBondContact O-N 2.89Å
305	E	42.6	Very low	45.5	Very low	115 Å²	115	132.9 Å²	132.9	54%	0.537	67%	0.665	S	S	.	*	H	α-helix	trans	-67.8	-40.6	170.9	-68.3	-176.1	154.8	0	0	111.8	N301 Q308 Q309	N301-E305 PolarHBondContact O-N 2.97Å; N301-E305 VanDerWaalsContact O-N 3.13Å; E305-Q308 PolarHBondContact O-N 2.94Å; E305-Q309 WeakPolarHBondContact O-CB 3.33Å; E305-Q309 VanDerWaalsContact O-CG 3.29Å; E305-Q309 WeakPolarHBondContact O-CG 3.45Å; E305-Q309 PolarHBondContact O-N 3.48Å
306	Q	44.9	Very low	45	Very low	118 Å²	118	134.2 Å²	134.2	55%	0.551	66%	0.663	S	S	*	*	H	α-helix	trans	-62.6	-42.8	172.7	-88.5	-177.6	-23.3	0	0	112.4	S302 Q308 Q309 E310	S302-Q306 PolarHBondContact O-N 3.42Å; Q306-Q308 VanDerWaalsContact C-N 3.34Å; Q306-Q308 PolarHBondContact O-N 3.18Å; Q306-Q309 PolarHBondContact O-N 3.46Å; Q306-E310 WeakPolarHBondContact O-CG 3.34Å; Q306-E310 PolarHBondContact O-N 3.11Å
307	R	49.1	Very low	45	Very low	156 Å²	156	134.4 Å²	134.4	59%	0.589	66%	0.655	S	S	*	*	H	α-helix	trans	-68.6	-30.4	176.4	-77.9	-168.8	-82.7	-167.7	-1.9	113.5	N303 N304 Q311	N303-R307 PolarHBondContact O-NE 2.99Å; N304-R307 PolarHBondContact O-N 3.4Å; R307-Q311 WeakPolarHBondContact O-CG 3.45Å; R307-Q311 PolarHBondContact O-N 3.41Å
308	Q	49.1	Very low	45.5	Very low	113 Å²	113	134.5 Å²	134.5	53%	0.528	65%	0.646	S	S	.	*	H	α-helix	trans	-78.5	-27.4	173.8	-75.1	-178.5	19.1	0	0	113	N304 E305 Q306 R312	N304-Q308 WeakPolarHBondContact O-CB 3.18Å; N304-Q308 VanDerWaalsContact O-CG 3.29Å; N304-Q308 WeakPolarHBondContact O-CG 3.5Å; N304-Q308 PolarHBondContact O-N 2.89Å; E305-Q308 PolarHBondContact O-N 2.94Å; Q306-Q308 VanDerWaalsContact C-N 3.34Å; Q306-Q308 PolarHBondContact O-N 3.18Å; Q308-R312 WeakPolarHBondContact O-CG 3.02Å; Q308-R312 PolarHBondContact O-N 3.26Å
309	Q	50.3	Low	46.2	Very low	124 Å²	124	134.1 Å²	134.1	58%	0.579	64%	0.639	S	S	*	*	H	α-helix	trans	-75.4	-39.3	174.4	-75.8	178.8	4.8	0	0	111.8	E305 Q306 Q311 R312 Q313	E305-Q309 WeakPolarHBondContact O-CB 3.33Å; E305-Q309 VanDerWaalsContact O-CG 3.29Å; E305-Q309 WeakPolarHBondContact O-CG 3.45Å; E305-Q309 PolarHBondContact O-N 3.48Å; Q306-Q309 PolarHBondContact O-N 3.46Å; Q309-Q311 VanDerWaalsContact C-N 3.33Å; Q309-Q311 PolarHBondContact O-N 3.42Å; Q309-R312 PolarHBondContact O-N 3.5Å; Q309-Q313 PolarHBondContact O-N 3.21Å
310	E	55.1	Low	47.2	Very low	136 Å²	136	131.3 Å²	131.3	64%	0.636	63%	0.627	S	S	*	*	H	α-helix	trans	-65.4	-34.9	174.6	-74.4	178.3	173.9	0	0	112.3	Q306 R312 Q313	Q306-E310 WeakPolarHBondContact O-CG 3.34Å; Q306-E310 PolarHBondContact O-N 3.11Å; E310-R312 VanDerWaalsContact C-N 3.32Å; E310-R312 PolarHBondContact O-N 2.67Å; E310-Q313 PolarHBondContact O-N 3.33Å
311	Q	56.2	Low	48	Very low	152 Å²	152	133.6 Å²	133.6	71%	0.71	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-14.2	175.7	-74.9	-178.4	1.1	0	0	114.6	R307 Q309	R307-Q311 WeakPolarHBondContact O-CG 3.45Å; R307-Q311 PolarHBondContact O-N 3.41Å; Q309-Q311 VanDerWaalsContact C-N 3.33Å; Q309-Q311 PolarHBondContact O-N 3.42Å
312	R	52.1	Low	48.7	Very low	208 Å²	208	135.9 Å²	135.9	79%	0.785	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-6.8	175.1	-75.3	-168.2	-158.4	-146.8	7.3	114	Q308 Q309 E310	Q308-R312 WeakPolarHBondContact O-CG 3.02Å; Q308-R312 PolarHBondContact O-N 3.26Å; Q309-R312 PolarHBondContact O-N 3.5Å; E310-R312 VanDerWaalsContact C-N 3.32Å; E310-R312 PolarHBondContact O-N 2.67Å
313	Q	53.1	Low	49	Very low	176 Å²	176	141.3 Å²	141.3	82%	0.822	64%	0.642	S	S	*	*			trans	-104.4	7.9	176.8	-67	-173	16.8	0	0	113.4	Q309 E310	Q309-Q313 PolarHBondContact O-N 3.21Å; E310-Q313 PolarHBondContact O-N 3.33Å
314	Q	50.6	Low	49.8	Very low	231 Å²	231	145 Å²	145	100%	1.079	65%	0.652	S	S	*	*			trans	-109	0	164.3	-65.5	-177.2	15.1	0	0	109

Retrieved 314 of 314 residues in 82.9 ms (Link to these results)

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