A0A5K4FBL1_SCHMA Loading...

Acyl-CoA-binding domain-containing protein 6

AlphaFold DB , UniProt , Accession A0A5K4FBL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 247 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	29.7	Very low	40.2	Very low	247 Å²	247	119.1 Å²	119.1	100%	1.217	68%	0.675	S	S	*	*				0	106.5	0	-177.1	-175.2	-84	0	0	107.5
2	A	36	Very low	40.1	Very low	103 Å²	103	114.4 Å²	114.4	85%	0.851	65%	0.654	S	S	*	*			trans	-168.2	92.3	153.6	0	0	0	0	0	105
3	L	30.5	Very low	39.8	Very low	166 Å²	166	115.3 Å²	115.3	87%	0.869	65%	0.647	S	S	*	*			trans	-75.1	136.2	173.4	-84.3	160	0	0	0	108.8
4	S	39.7	Very low	39.9	Very low	84 Å²	84	117.1 Å²	117.1	59%	0.587	65%	0.647	S	S	*	*			trans	43.7	95.5	144.3	66.5	0	0	0	0	117.4	N6	S4-N6 PolarHBondContact O-N 3.43Å
5	E	47.9	Very low	40.1	Very low	176 Å²	176	116.8 Å²	116.8	82%	0.822	64%	0.639	S	S	*	*			trans	-75	105.2	136.4	-73.4	-175.8	173.1	0	0	106	L7	E5-L7 PolarHBondContact O-N 2.9Å
6	N	44.7	Very low	39.8	Very low	155 Å²	155	111.4 Å²	111.4	83%	0.829	62%	0.615	S	S	*	*			trans	-62.5	76.4	164.6	-90.6	-31.6	0	0	0	107.3	S4 S8	S4-N6 PolarHBondContact O-N 3.43Å; N6-S8 PolarHBondContact O-N 3.07Å
7	L	42.2	Very low	39.7	Very low	73 Å²	73	107.7 Å²	107.7	38%	0.382	60%	0.602	S	S	.	*			trans	-57.6	122.9	166.3	-81.7	140.5	0	0	0	106.2	E5 V9 S11	E5-L7 PolarHBondContact O-N 2.9Å; L7-V9 PolarHBondContact O-N 3.3Å; L7-S11 WeakPolarHBondContact CD2-OG 3.32Å
8	S	46.9	Very low	39.9	Very low	64 Å²	64	105.1 Å²	105.1	45%	0.448	60%	0.597	S	S	.	*			trans	-47.1	141.2	169.5	169.8	0	0	0	0	108.2	N6 D10 S11 C12	N6-S8 PolarHBondContact O-N 3.07Å; S8-D10 PolarHBondContact O-N 2.77Å; S8-D10 PolarHBondContact OG-N 2.93Å; S8-S11 WeakPolarHBondContact O-CA 3.29Å; S8-S11 WeakPolarHBondContact O-CB 3.42Å; S8-S11 PolarHBondContact O-N 3.2Å; S8-C12 PolarHBondContact O-N 3.49Å; S8-C12 VanDerWaalsContact O-N 3.08Å
9	V	42.4	Very low	39.8	Very low	101 Å²	101	105.2 Å²	105.2	61%	0.612	59%	0.591	S	S	*	*	H	α-helix	trans	-48.9	-36.4	173.8	171.6	0	0	0	0	110.3	L7 C12 F13	L7-V9 PolarHBondContact O-N 3.3Å; V9-C12 PolarHBondContact O-N 3.17Å; V9-F13 HydrophobicContact CG1-CD2 3.7Å; V9-F13 HydrophobicContact CG1-CE2 3.35Å; V9-F13 HydrophobicContact CG1-CZ 4.4Å; V9-F13 WeakPolarHBondContact O-CD2 3.42Å; V9-F13 PolarHBondContact O-N 2.84Å
10	D	40.5	Very low	39.6	Very low	107 Å²	107	104.2 Å²	104.2	57%	0.572	58%	0.584	S	S	*	*	H	α-helix	trans	-65.5	-38.1	176.1	-56.6	-30.3	0	0	0	113.1	S8 F13 E14	S8-D10 PolarHBondContact O-N 2.77Å; S8-D10 PolarHBondContact OG-N 2.93Å; D10-F13 WeakPolarHBondContact O-CB 3.41Å; D10-F13 PolarHBondContact O-N 2.91Å; D10-F13 VanDerWaalsContact O-N 3.17Å; D10-E14 PolarHBondContact O-N 3.24Å
11	S	41.3	Very low	39.5	Very low	34 Å²	34	102.8 Å²	102.8	24%	0.238	58%	0.578	C	S	.	*	H	α-helix	trans	-70.8	-36.1	177.6	-173.7	0	0	0	0	111.9	L7 S8 F13 E14 Q15	L7-S11 WeakPolarHBondContact CD2-OG 3.32Å; S8-S11 WeakPolarHBondContact O-CA 3.29Å; S8-S11 WeakPolarHBondContact O-CB 3.42Å; S8-S11 PolarHBondContact O-N 3.2Å; S11-F13 VanDerWaalsContact C-N 3.3Å; S11-E14 PolarHBondContact O-N 3.2Å; S11-Q15 WeakPolarHBondContact O-CB 3.22Å; S11-Q15 WeakPolarHBondContact O-CG 3.15Å; S11-Q15 PolarHBondContact O-N 2.94Å
12	C	40.1	Very low	39.9	Very low	63 Å²	63	97.5 Å²	97.5	43%	0.426	55%	0.551	S	S	.	*	H	α-helix	trans	-63.3	-37.5	169.1	-69.7	0	0	0	0	111.4	S8 V9 A16	S8-C12 PolarHBondContact O-N 3.49Å; S8-C12 VanDerWaalsContact O-N 3.08Å; V9-C12 PolarHBondContact O-N 3.17Å; C12-A16 WeakPolarHBondContact O-CB 3.48Å; C12-A16 PolarHBondContact O-N 3.23Å
13	F	36.2	Very low	39.8	Very low	126 Å²	126	94.8 Å²	94.8	55%	0.553	52%	0.521	S	S	*	.	H	α-helix	trans	-65.6	-44.9	174.5	-82.2	-62.7	0	0	0	112.4	V9 D10 S11 A16 A17	V9-F13 HydrophobicContact CG1-CD2 3.7Å; V9-F13 HydrophobicContact CG1-CE2 3.35Å; V9-F13 HydrophobicContact CG1-CZ 4.4Å; V9-F13 WeakPolarHBondContact O-CD2 3.42Å; V9-F13 PolarHBondContact O-N 2.84Å; D10-F13 WeakPolarHBondContact O-CB 3.41Å; D10-F13 PolarHBondContact O-N 2.91Å; D10-F13 VanDerWaalsContact O-N 3.17Å; S11-F13 VanDerWaalsContact C-N 3.3Å; F13-A16 PolarHBondContact O-N 3.37Å; F13-A17 VanDerWaalsContact O-CB 3.31Å; F13-A17 WeakPolarHBondContact O-CB 3.33Å; F13-A17 PolarHBondContact O-N 2.88Å
14	E	41.2	Very low	40	Very low	140 Å²	140	88 Å²	88	65%	0.654	49%	0.49	S	S	*	.	H	α-helix	trans	-64.2	-44.7	178.2	-76.2	179.9	175.2	0	0	112.1	D10 S11 A17 A18	D10-E14 PolarHBondContact O-N 3.24Å; S11-E14 PolarHBondContact O-N 3.2Å; E14-A17 PolarHBondContact O-N 3.47Å; E14-A18 WeakPolarHBondContact O-CB 3.36Å; E14-A18 PolarHBondContact O-N 3.16Å
15	Q	41.9	Very low	39.8	Very low	113 Å²	113	93.8 Å²	93.8	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-40.8	176	-71.9	178.7	1.7	0	0	111.6	S11 A18 H19	S11-Q15 WeakPolarHBondContact O-CB 3.22Å; S11-Q15 WeakPolarHBondContact O-CG 3.15Å; S11-Q15 PolarHBondContact O-N 2.94Å; Q15-A18 PolarHBondContact O-N 3.01Å; Q15-H19 VanDerWaalsContact O-CB 3.29Å; Q15-H19 WeakPolarHBondContact O-CB 3.34Å; Q15-H19 PolarHBondContact O-N 3.4Å
16	A	35	Very low	39.2	Very low	30 Å²	30	88.7 Å²	88.7	25%	0.248	48%	0.484	C	S	.	.	H	α-helix	trans	-66	-39.1	175.4	0	0	0	0	0	111.9	C12 F13 L20	C12-A16 WeakPolarHBondContact O-CB 3.48Å; C12-A16 PolarHBondContact O-N 3.23Å; F13-A16 PolarHBondContact O-N 3.37Å; A16-L20 WeakPolarHBondContact O-CB 3.21Å; A16-L20 WeakPolarHBondContact O-CG 3.37Å; A16-L20 PolarHBondContact O-N 2.94Å
17	A	39.3	Very low	38.7	Very low	49 Å²	49	82.4 Å²	82.4	41%	0.405	45%	0.45	S	S	.	.	H	α-helix	trans	-67.2	-40.2	175.5	0	0	0	0	0	111.8	F13 E14 L20 T21	F13-A17 VanDerWaalsContact O-CB 3.31Å; F13-A17 WeakPolarHBondContact O-CB 3.33Å; F13-A17 PolarHBondContact O-N 2.88Å; E14-A17 PolarHBondContact O-N 3.47Å; A17-L20 PolarHBondContact O-N 3.31Å; A17-T21 VanDerWaalsContact O-CB 3.3Å; A17-T21 WeakPolarHBondContact O-CB 3.1Å; A17-T21 PolarHBondContact O-N 3.33Å; A17-T21 PolarHBondContact O-OG1 3.16Å
18	A	42.9	Very low	38.6	Very low	61 Å²	61	81.4 Å²	81.4	50%	0.504	45%	0.445	S	S	.	.	H	α-helix	trans	-64.5	-45.8	174.5	0	0	0	0	0	111.4	E14 Q15 T21 E22	E14-A18 WeakPolarHBondContact O-CB 3.36Å; E14-A18 PolarHBondContact O-N 3.16Å; Q15-A18 PolarHBondContact O-N 3.01Å; A18-T21 CarbonylContact O-C 3.58Å; A18-T21 WeakPolarHBondContact O-CB 3.41Å; A18-T21 PolarHBondContact O-N 3.49Å; A18-T21 VanDerWaalsContact O-N 3.14Å; A18-E22 PolarHBondContact O-N 3.02Å
19	H	37.3	Very low	38.4	Very low	106 Å²	106	79.4 Å²	79.4	49%	0.491	43%	0.431	S	S	.	.	H	α-helix	trans	-67.9	-36.9	177.1	-164.5	-101.2	0	0	0	111.8	Q15 T21 E22 I23	Q15-H19 VanDerWaalsContact O-CB 3.29Å; Q15-H19 WeakPolarHBondContact O-CB 3.34Å; Q15-H19 PolarHBondContact O-N 3.4Å; H19-T21 VanDerWaalsContact C-N 3.31Å; H19-E22 PolarHBondContact O-N 3.41Å; H19-I23 VanDerWaalsContact CE1-CD1 3.41Å; H19-I23 WeakPolarHBondContact CE1-CD1 3.26Å; H19-I23 WeakPolarHBondContact ND1-CD1 3.3Å; H19-I23 WeakPolarHBondContact O-CB 3.34Å; H19-I23 WeakPolarHBondContact O-CD1 3.42Å; H19-I23 WeakPolarHBondContact O-CG1 3.37Å; H19-I23 PolarHBondContact O-N 3Å
20	L	37	Very low	38.1	Very low	86 Å²	86	76.5 Å²	76.5	45%	0.45	41%	0.412	S	S	.	.	H	α-helix	trans	-66.7	-32.6	170.9	-78.8	168.6	0	0	0	111.7	A16 A17 A24 W66	A16-L20 WeakPolarHBondContact O-CB 3.21Å; A16-L20 WeakPolarHBondContact O-CG 3.37Å; A16-L20 PolarHBondContact O-N 2.94Å; A17-L20 PolarHBondContact O-N 3.31Å; L20-A24 VanDerWaalsContact O-CA 3.31Å; L20-A24 WeakPolarHBondContact O-CA 3.26Å; L20-A24 WeakPolarHBondContact O-CB 3.31Å; L20-A24 PolarHBondContact O-N 3.41Å; L20-W66 HydrophobicContact CD1-CH2 4.17Å; L20-W66 HydrophobicContact CD1-CZ2 4.03Å
21	T	37.5	Very low	38.1	Very low	74 Å²	74	72 Å²	72	45%	0.454	39%	0.388	S	S	.	.	H	α-helix	trans	-70.4	-42.1	174.4	-59.3	0	0	0	0	110.3	A17 A18 H19 A24 Y25	A17-T21 VanDerWaalsContact O-CB 3.3Å; A17-T21 WeakPolarHBondContact O-CB 3.1Å; A17-T21 PolarHBondContact O-N 3.33Å; A17-T21 PolarHBondContact O-OG1 3.16Å; A18-T21 CarbonylContact O-C 3.58Å; A18-T21 WeakPolarHBondContact O-CB 3.41Å; A18-T21 PolarHBondContact O-N 3.49Å; A18-T21 VanDerWaalsContact O-N 3.14Å; H19-T21 VanDerWaalsContact C-N 3.31Å; T21-A24 WeakPolarHBondContact O-CA 3.26Å; T21-A24 VanDerWaalsContact O-CB 3.27Å; T21-A24 WeakPolarHBondContact O-CB 3.43Å; T21-A24 PolarHBondContact O-N 3.03Å; T21-A24 VanDerWaalsContact O-N 3.13Å; T21-Y25 HydrophobicContact CG2-CD2 3.86Å; T21-Y25 HydrophobicContact CG2-CE2 3.63Å; T21-Y25 WeakPolarHBondContact O-CD2 3.48Å; T21-Y25 PolarHBondContact O-N 2.74Å
22	E	37.7	Very low	38	Very low	137 Å²	137	72.9 Å²	72.9	64%	0.64	39%	0.39	S	S	*	.	H	α-helix	trans	-65.1	-47.6	175.4	-165.8	-179.4	-169.5	0	0	111.3	A18 H19 A24 Y25 S26	A18-E22 PolarHBondContact O-N 3.02Å; H19-E22 PolarHBondContact O-N 3.41Å; E22-A24 PolarHBondContact O-N 2.57Å; E22-Y25 PolarHBondContact O-N 2.9Å; E22-S26 PolarHBondContact O-N 3.15Å
23	I	33.1	Very low	38.1	Very low	45 Å²	45	71.5 Å²	71.5	23%	0.231	38%	0.378	C	S	.	.	H	α-helix	trans	-58.4	-38	169.6	-72.3	167	0	0	0	109.7	H19 Y25 S26 L27 V74	H19-I23 VanDerWaalsContact CE1-CD1 3.41Å; H19-I23 WeakPolarHBondContact CE1-CD1 3.26Å; H19-I23 WeakPolarHBondContact ND1-CD1 3.3Å; H19-I23 WeakPolarHBondContact O-CB 3.34Å; H19-I23 WeakPolarHBondContact O-CD1 3.42Å; H19-I23 WeakPolarHBondContact O-CG1 3.37Å; H19-I23 PolarHBondContact O-N 3Å; I23-Y25 PolarHBondContact O-N 3.25Å; I23-S26 WeakPolarHBondContact CA-OG 3.36Å; I23-S26 CarbonylContact O-C 3.33Å; I23-S26 WeakPolarHBondContact O-CA 3.31Å; I23-S26 PolarHBondContact O-N 3.25Å; I23-S26 PolarHBondContact O-OG 2.98Å; I23-L27 HydrophobicContact CG2-CD1 3.21Å; I23-L27 HydrophobicContact CG2-CG 3.66Å; I23-L27 WeakPolarHBondContact O-CB 3.32Å; I23-L27 VanDerWaalsContact O-CG 3.32Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 3.35Å; I23-V74 HydrophobicContact CG2-CG2 4.04Å
24	A	35.1	Very low	38.2	Very low	25 Å²	25	68.4 Å²	68.4	21%	0.207	36%	0.364	C	S	.	.	H	α-helix	trans	-65.1	-40	-178.5	0	0	0	0	0	113.1	L20 T21 E22 S26 L32	L20-A24 VanDerWaalsContact O-CA 3.31Å; L20-A24 WeakPolarHBondContact O-CA 3.26Å; L20-A24 WeakPolarHBondContact O-CB 3.31Å; L20-A24 PolarHBondContact O-N 3.41Å; T21-A24 WeakPolarHBondContact O-CA 3.26Å; T21-A24 VanDerWaalsContact O-CB 3.27Å; T21-A24 WeakPolarHBondContact O-CB 3.43Å; T21-A24 PolarHBondContact O-N 3.03Å; T21-A24 VanDerWaalsContact O-N 3.13Å; E22-A24 PolarHBondContact O-N 2.57Å; A24-S26 PolarHBondContact O-N 3.27Å; A24-L32 HydrophobicContact CB-CD1 3.14Å; A24-L32 HydrophobicContact CB-CD2 4.01Å; A24-L32 HydrophobicContact CB-CG 4.14Å
25	Y	35.5	Very low	38	Very low	205 Å²	205	64.7 Å²	64.7	80%	0.804	35%	0.345	S	S	*	.	H	α-helix	trans	-70.3	-22.7	173.6	-81.1	-70.8	0	0	0	112.2	T21 E22 I23	T21-Y25 HydrophobicContact CG2-CD2 3.86Å; T21-Y25 HydrophobicContact CG2-CE2 3.63Å; T21-Y25 WeakPolarHBondContact O-CD2 3.48Å; T21-Y25 PolarHBondContact O-N 2.74Å; E22-Y25 PolarHBondContact O-N 2.9Å; I23-Y25 PolarHBondContact O-N 3.25Å
26	S	35.7	Very low	37.7	Very low	69 Å²	69	64.3 Å²	64.3	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-92.7	-22.7	177.9	76.5	0	0	0	0	115.3	E22 I23 A24	E22-S26 PolarHBondContact O-N 3.15Å; I23-S26 WeakPolarHBondContact CA-OG 3.36Å; I23-S26 CarbonylContact O-C 3.33Å; I23-S26 WeakPolarHBondContact O-CA 3.31Å; I23-S26 PolarHBondContact O-N 3.25Å; I23-S26 PolarHBondContact O-OG 2.98Å; A24-S26 PolarHBondContact O-N 3.27Å
27	L	34.5	Very low	37.8	Very low	22 Å²	22	64.2 Å²	64.2	12%	0.115	34%	0.339	C	S	.	.	S	Bend	trans	-82.5	128.2	-178.3	-79.7	168.9	0	0	0	110.2	I23 S29 T31 L32 V74 Q78	I23-L27 HydrophobicContact CG2-CD1 3.21Å; I23-L27 HydrophobicContact CG2-CG 3.66Å; I23-L27 WeakPolarHBondContact O-CB 3.32Å; I23-L27 VanDerWaalsContact O-CG 3.32Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 3.35Å; L27-S29 PolarHBondContact O-N 3.05Å; L27-T31 HydrophobicContact CD1-CG2 4.05Å; L27-T31 HydrophobicContact CD2-CG2 4.01Å; L27-L32 HydrophobicContact CD1-CD1 4.46Å; L27-V74 HydrophobicContact CD2-CB 4.19Å; L27-V74 HydrophobicContact CD2-CG1 3.43Å; L27-V74 VanDerWaalsContact CD2-CG1 3.43Å; L27-V74 HydrophobicContact CD2-CG2 4.14Å; L27-V74 HydrophobicContact CG-CG1 3.99Å; L27-V74 HydrophobicContact CG-CG2 4.29Å; L27-Q78 HydrophobicContact CD2-CG 4.06Å
28	D	40.4	Very low	37.5	Very low	52 Å²	52	65.1 Å²	65.1	28%	0.278	33%	0.332	S	S	.	.			trans	-50.6	129.8	161.9	62.3	5.6	0	0	0	110.1	N30 T31 Q78	D28-N30 PolarHBondContact O-N 3.25Å; D28-T31 PolarHBondContact O-N 3.14Å; D28-T31 VanDerWaalsContact O-N 3.17Å; D28-Q78 VanDerWaalsContact OD1-CG 3.25Å; D28-Q78 WeakPolarHBondContact OD1-CG 3.32Å; D28-Q78 PolarHBondContact OD1-NE2 3.46Å; D28-Q78 PolarHBondContact OD2-NE2 3.36Å
29	S	41.8	Very low	37.2	Very low	23 Å²	23	69.5 Å²	69.5	16%	0.161	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-9.6	-153.5	82.7	0	0	0	0	115.5	L27 T31 L32 L33 R100	L27-S29 PolarHBondContact O-N 3.05Å; S29-T31 VanDerWaalsContact C-N 3.34Å; S29-L32 WeakPolarHBondContact O-CB 3.43Å; S29-L32 PolarHBondContact O-N 3.14Å; S29-L33 WeakPolarHBondContact O-CB 3.48Å; S29-L33 PolarHBondContact O-N 3.19Å; S29-R100 WeakPolarHBondContact OG-CB 3.4Å; S29-R100 WeakPolarHBondContact OG-CD 3.47Å
30	N	36.9	Very low	37	Very low	39 Å²	39	67.6 Å²	67.6	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-39.1	177	-72.4	0.9	0	0	0	111.3	D28 L33 Y34 Y81	D28-N30 PolarHBondContact O-N 3.25Å; N30-L33 PolarHBondContact O-N 2.85Å; N30-Y34 PolarHBondContact O-N 3.05Å; N30-Y34 VanDerWaalsContact O-N 3.14Å; N30-Y81 HydrophobicContact CB-CE1 4.45Å
31	T	40.2	Very low	37	Very low	12 Å²	12	70.6 Å²	70.6	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-69.8	-38.6	175.3	-57	0	0	0	0	110.3	L27 D28 S29 L33 F35	L27-T31 HydrophobicContact CD1-CG2 4.05Å; L27-T31 HydrophobicContact CD2-CG2 4.01Å; D28-T31 PolarHBondContact O-N 3.14Å; D28-T31 VanDerWaalsContact O-N 3.17Å; S29-T31 VanDerWaalsContact C-N 3.34Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-L33 PolarHBondContact O-N 3.3Å; T31-F35 HydrophobicContact CG2-CD2 3.63Å; T31-F35 HydrophobicContact CG2-CE2 3.31Å; T31-F35 HydrophobicContact CG2-CZ 4.48Å; T31-F35 WeakPolarHBondContact O-CD2 3.02Å; T31-F35 PolarHBondContact O-N 2.91Å; T31-F35 VanDerWaalsContact O-N 3.11Å
32	L	39.6	Very low	36.8	Very low	53 Å²	53	70.6 Å²	70.6	28%	0.277	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-44.2	173.5	-149.1	82.6	0	0	0	113	A24 L27 S29 F35 Y36	A24-L32 HydrophobicContact CB-CD1 3.14Å; A24-L32 HydrophobicContact CB-CD2 4.01Å; A24-L32 HydrophobicContact CB-CG 4.14Å; L27-L32 HydrophobicContact CD1-CD1 4.46Å; S29-L32 WeakPolarHBondContact O-CB 3.43Å; S29-L32 PolarHBondContact O-N 3.14Å; L32-F35 PolarHBondContact O-N 3.11Å; L32-Y36 VanDerWaalsContact O-CB 3.26Å; L32-Y36 WeakPolarHBondContact O-CB 3.41Å; L32-Y36 PolarHBondContact O-N 3.2Å
33	L	40.4	Very low	36.5	Very low	35 Å²	35	68.5 Å²	68.5	18%	0.183	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-44.8	-175.7	-179.1	60.8	0	0	0	110.7	S29 N30 T31 A37 Y103 M107	S29-L33 WeakPolarHBondContact O-CB 3.48Å; S29-L33 PolarHBondContact O-N 3.19Å; N30-L33 PolarHBondContact O-N 2.85Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-L33 PolarHBondContact O-N 3.3Å; L33-A37 WeakPolarHBondContact O-CB 2.96Å; L33-A37 PolarHBondContact O-N 2.85Å; L33-Y103 HydrophobicContact CD1-CD1 4.1Å; L33-Y103 HydrophobicContact CD1-CE1 3.54Å; L33-Y103 HydrophobicContact CD2-CD1 4.09Å; L33-Y103 HydrophobicContact CD2-CE1 3.71Å; L33-Y103 HydrophobicContact CG-CE1 4.26Å; L33-M107 HydrophobicContact CD1-CE 4.25Å; L33-M107 HydrophobicContact CD1-SD 3.54Å; L33-M107 VanDerWaalsContact CD1-SD 3.54Å
34	Y	38.9	Very low	36.4	Very low	61 Å²	61	72.1 Å²	72.1	24%	0.239	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-44.8	174.1	-178	-94.6	0	0	0	112.2	N30 R38 I54 F55	N30-Y34 PolarHBondContact O-N 3.05Å; N30-Y34 VanDerWaalsContact O-N 3.14Å; Y34-R38 HydrophobicContact CE1-CG 4.19Å; Y34-R38 VanDerWaalsContact O-CB 3.27Å; Y34-R38 WeakPolarHBondContact O-CB 3.38Å; Y34-R38 WeakPolarHBondContact O-CG 3.45Å; Y34-R38 PolarHBondContact O-N 3.09Å; Y34-R38 VanDerWaalsContact O-N 3.12Å; Y34-R38 PolarHBondContact OH-NH1 3.18Å; Y34-R38 PolarHBondContact OH-NH2 3.25Å; Y34-I54 HydrophobicContact CE1-CB 4.22Å; Y34-I54 HydrophobicContact CE1-CD1 4.3Å; Y34-I54 HydrophobicContact CE1-CG1 3.94Å; Y34-I54 HydrophobicContact CE1-CG2 3.84Å; Y34-I54 WeakPolarHBondContact OH-CG2 3.5Å; Y34-F55 PolarHBondContact OH-N 2.97Å; Y34-F55 PolarHBondContact OH-O 3.19Å
35	F	36.9	Very low	36.1	Very low	62 Å²	62	73.2 Å²	73.2	27%	0.272	38%	0.38	S	S	.	.	H	α-helix	trans	-69.2	-40.1	-179.1	-76.6	-56.3	0	0	0	112.9	T31 L32 Y39 I54 L69	T31-F35 HydrophobicContact CG2-CD2 3.63Å; T31-F35 HydrophobicContact CG2-CE2 3.31Å; T31-F35 HydrophobicContact CG2-CZ 4.48Å; T31-F35 WeakPolarHBondContact O-CD2 3.02Å; T31-F35 PolarHBondContact O-N 2.91Å; T31-F35 VanDerWaalsContact O-N 3.11Å; L32-F35 PolarHBondContact O-N 3.11Å; F35-Y39 VanDerWaalsContact O-CB 3.25Å; F35-Y39 WeakPolarHBondContact O-CB 3.5Å; F35-Y39 PolarHBondContact O-N 3.09Å; F35-I54 HydrophobicContact CE1-CD1 4.14Å; F35-I54 HydrophobicContact CE1-CG1 4.22Å; F35-I54 HydrophobicContact CZ-CD1 3.98Å; F35-L69 HydrophobicContact CE1-CD1 3.4Å; F35-L69 VanDerWaalsContact CE1-CD1 3.4Å; F35-L69 HydrophobicContact CE2-CD1 4.38Å; F35-L69 HydrophobicContact CE2-CD2 4.13Å; F35-L69 HydrophobicContact CZ-CD1 3.28Å; F35-L69 HydrophobicContact CZ-CD2 3.59Å; F35-L69 HydrophobicContact CZ-CG 4.06Å
36	Y	36.6	Very low	35.8	Very low	104 Å²	104	70.1 Å²	70.1	41%	0.408	39%	0.386	S	S	.	.	H	α-helix	trans	-73.1	-42.5	179.7	-173.3	-104.9	0	0	0	112.3	L32 R38 Y39 K40	L32-Y36 VanDerWaalsContact O-CB 3.26Å; L32-Y36 WeakPolarHBondContact O-CB 3.41Å; L32-Y36 PolarHBondContact O-N 3.2Å; Y36-R38 VanDerWaalsContact C-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.85Å; Y36-Y39 WeakPolarHBondContact O-CB 3.42Å; Y36-Y39 PolarHBondContact O-N 3.16Å; Y36-Y39 VanDerWaalsContact O-N 3.15Å; Y36-K40 PolarHBondContact O-N 3.12Å
37	A	35.8	Very low	35.2	Very low	29 Å²	29	72 Å²	72	24%	0.24	40%	0.397	C	S	.	.	H	α-helix	trans	-60.9	-43.1	175.1	0	0	0	0	0	111.5	L33 Q41	L33-A37 WeakPolarHBondContact O-CB 2.96Å; L33-A37 PolarHBondContact O-N 2.85Å; A37-Q41 WeakPolarHBondContact O-CG 3.44Å; A37-Q41 PolarHBondContact O-N 2.85Å; A37-Q41 VanDerWaalsContact O-N 3.09Å
38	R	34.4	Very low	34.7	Very low	68 Å²	68	77.8 Å²	77.8	26%	0.257	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-40.2	172.3	-83.4	-80.9	-178.9	94.8	-2.4	112.7	Y34 Y36 A42 G53 F55	Y34-R38 HydrophobicContact CE1-CG 4.19Å; Y34-R38 VanDerWaalsContact O-CB 3.27Å; Y34-R38 WeakPolarHBondContact O-CB 3.38Å; Y34-R38 WeakPolarHBondContact O-CG 3.45Å; Y34-R38 PolarHBondContact O-N 3.09Å; Y34-R38 VanDerWaalsContact O-N 3.12Å; Y34-R38 PolarHBondContact OH-NH1 3.18Å; Y34-R38 PolarHBondContact OH-NH2 3.25Å; Y36-R38 VanDerWaalsContact C-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.85Å; R38-A42 VanDerWaalsContact O-CB 3.29Å; R38-A42 WeakPolarHBondContact O-CB 3.44Å; R38-A42 PolarHBondContact O-N 3.3Å; R38-G53 PolarHBondContact NH1-O 3.4Å; R38-F55 VanDerWaalsContact NH2-CB 3.3Å; R38-F55 PolarHBondContact NH2-O 3.01Å
39	Y	35.9	Very low	34	Very low	153 Å²	153	82.4 Å²	82.4	60%	0.6	46%	0.458	S	S	*	.	H	α-helix	trans	-61.7	-49.4	178.2	177.6	-94.9	0	0	0	111.3	F35 Y36 A42 T43	F35-Y39 VanDerWaalsContact O-CB 3.25Å; F35-Y39 WeakPolarHBondContact O-CB 3.5Å; F35-Y39 PolarHBondContact O-N 3.09Å; Y36-Y39 WeakPolarHBondContact O-CB 3.42Å; Y36-Y39 PolarHBondContact O-N 3.16Å; Y36-Y39 VanDerWaalsContact O-N 3.15Å; Y39-A42 PolarHBondContact O-N 3.26Å; Y39-T43 WeakPolarHBondContact O-CG2 3.24Å; Y39-T43 PolarHBondContact O-N 3.07Å; Y39-T43 PolarHBondContact O-OG1 2.99Å
40	K	32.8	Very low	33.3	Very low	65 Å²	65	85.1 Å²	85.1	28%	0.283	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-48.1	176.8	-93.2	-153.5	179.2	177.2	0	112.2	Y36 A42 T43 V44 P112	Y36-K40 PolarHBondContact O-N 3.12Å; K40-A42 VanDerWaalsContact C-N 3.29Å; K40-A42 PolarHBondContact O-N 3.23Å; K40-T43 PolarHBondContact O-N 2.9Å; K40-T43 PolarHBondContact O-OG1 2.94Å; K40-V44 WeakPolarHBondContact O-CG2 3.36Å; K40-P112 HydrophobicContact CD-CB 4.49Å; K40-P112 VanDerWaalsContact NZ-CG 3.29Å
41	Q	36.9	Very low	33	Very low	150 Å²	150	91.4 Å²	91.4	70%	0.701	50%	0.503	S	S	*	.	H	α-helix	trans	-59.6	-36.4	179.1	-75.5	-179.1	-3.9	0	0	113.2	A37 T43	A37-Q41 WeakPolarHBondContact O-CG 3.44Å; A37-Q41 PolarHBondContact O-N 2.85Å; A37-Q41 VanDerWaalsContact O-N 3.09Å; Q41-T43 PolarHBondContact O-N 2.8Å
42	A	34.5	Very low	32.5	Very low	73 Å²	73	94.5 Å²	94.5	60%	0.603	52%	0.523	S	S	*	.	H	α-helix	trans	-69.1	-15.9	177.5	0	0	0	0	0	113.9	R38 Y39 K40	R38-A42 VanDerWaalsContact O-CB 3.29Å; R38-A42 WeakPolarHBondContact O-CB 3.44Å; R38-A42 PolarHBondContact O-N 3.3Å; Y39-A42 PolarHBondContact O-N 3.26Å; K40-A42 VanDerWaalsContact C-N 3.29Å; K40-A42 PolarHBondContact O-N 3.23Å
43	T	31.2	Very low	32.1	Very low	93 Å²	93	92.4 Å²	92.4	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-98.3	-7.3	-176.9	57.9	0	0	0	0	115	Y39 K40 Q41	Y39-T43 WeakPolarHBondContact O-CG2 3.24Å; Y39-T43 PolarHBondContact O-N 3.07Å; Y39-T43 PolarHBondContact O-OG1 2.99Å; K40-T43 PolarHBondContact O-N 2.9Å; K40-T43 PolarHBondContact O-OG1 2.94Å; Q41-T43 PolarHBondContact O-N 2.8Å
44	V	30.8	Very low	31.9	Very low	122 Å²	122	91.7 Å²	91.7	74%	0.739	51%	0.51	S	S	*	.	S	Bend	trans	-98.1	13.2	-174.4	-137.3	0	0	0	0	114.7	K40	K40-V44 WeakPolarHBondContact O-CG2 3.36Å
45	G	29.2	Very low	31.6	Very low	48 Å²	48	91.9 Å²	91.9	50%	0.495	51%	0.512	S	S	.	.	S	Bend	trans	-125	137.8	-179.4	0	0	0	0	0	113.7	C47	G45-C47 PolarHBondContact O-N 3.22Å
46	P	28.5	Very low	31.5	Very low	140 Å²	140	90.7 Å²	90.7	91%	0.909	51%	0.509	S	S	*	.	S	Bend	trans	-73.3	4.7	-172.9	-10.7	26	0	0	0	115.8
47	C	23.3	Very low	31.2	Very low	108 Å²	108	93.6 Å²	93.6	73%	0.73	54%	0.537	S	S	*	.	S	Bend	trans	-155	136.4	-173.8	35.7	0	0	0	0	111.5	G45	G45-C47 PolarHBondContact O-N 3.22Å
48	N	23.8	Very low	30.8	Very low	143 Å²	143	95.3 Å²	95.3	77%	0.765	55%	0.547	S	S	*	.			trans	79.5	75.2	177.9	-77.8	-23.9	0	0	0	118.1	S50	N48-S50 PolarHBondContact O-N 3.05Å
49	V	25.3	Very low	30.7	Very low	150 Å²	150	94.6 Å²	94.6	91%	0.909	56%	0.561	S	S	*	*			trans	-61.3	63.4	142.1	-86.7	0	0	0	0	110.6	K51	V49-K51 VanDerWaalsContact C-N 3.32Å; V49-K51 PolarHBondContact O-N 3.11Å
50	S	27.7	Very low	30.5	Very low	79 Å²	79	95.3 Å²	95.3	55%	0.552	56%	0.562	S	S	*	*			trans	-77.2	91.7	166.5	-73.6	0	0	0	0	107.7	N48	N48-S50 PolarHBondContact O-N 3.05Å
51	K	29.4	Very low	30.6	Very low	172 Å²	172	98.7 Å²	98.7	75%	0.748	58%	0.577	S	S	*	*			trans	8.2	106	165.7	-64.7	-178.3	179.2	-176.5	0	113.9	V49 G53	V49-K51 VanDerWaalsContact C-N 3.32Å; V49-K51 PolarHBondContact O-N 3.11Å; K51-G53 PolarHBondContact O-N 2.92Å
52	P	30.9	Very low	30.9	Very low	77 Å²	77	99.7 Å²	99.7	50%	0.5	58%	0.579	S	S	.	*			trans	-52.1	124.9	-172	17.5	-30.5	0	0	0	112	W66	P52-W66 HydrophobicContact CB-CG 4.49Å; P52-W66 HydrophobicContact CG-CD2 4.15Å; P52-W66 HydrophobicContact CG-CG 3.8Å; P52-W66 PolarHBondContact O-N 3.39Å
53	G	31.9	Very low	31.3	Very low	9 Å²	9	100.4 Å²	100.4	9%	0.093	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-140	152.2	174.3	0	0	0	0	0	110.6	R38 K51 F55 W64	R38-G53 PolarHBondContact NH1-O 3.4Å; K51-G53 PolarHBondContact O-N 2.92Å; G53-F55 WeakPolarHBondContact O-CD2 3.48Å; G53-F55 WeakPolarHBondContact O-CE2 3.38Å; G53-F55 PolarHBondContact O-N 3.42Å; G53-W64 CarbonylContact C-O 3.56Å; G53-W64 VanDerWaalsContact CA-O 3.3Å; G53-W64 WeakPolarHBondContact CA-O 3.47Å
54	I	35.2	Very low	31.6	Very low	20 Å²	20	97.7 Å²	97.7	10%	0.103	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.4	175.1	-55	-170.1	0	0	0	107.9	Y34 F35 K62 W63 W64 L69	Y34-I54 HydrophobicContact CE1-CB 4.22Å; Y34-I54 HydrophobicContact CE1-CD1 4.3Å; Y34-I54 HydrophobicContact CE1-CG1 3.94Å; Y34-I54 HydrophobicContact CE1-CG2 3.84Å; Y34-I54 WeakPolarHBondContact OH-CG2 3.5Å; F35-I54 HydrophobicContact CE1-CD1 4.14Å; F35-I54 HydrophobicContact CE1-CG1 4.22Å; F35-I54 HydrophobicContact CZ-CD1 3.98Å; I54-K62 PolarHBondContact O-N 3.25Å; I54-W63 HydrophobicContact CB-CB 3.77Å; I54-W63 HydrophobicContact CG2-CB 3.53Å; I54-W63 HydrophobicContact CG2-CG 4.01Å; I54-W63 PolarHBondContact O-N 2.86Å; I54-W64 HydrophobicContact CD1-CB 4.03Å; I54-W64 HydrophobicContact CD1-CD2 4.17Å; I54-W64 HydrophobicContact CD1-CE3 3.38Å; I54-W64 HydrophobicContact CD1-CG 4.48Å; I54-W64 HydrophobicContact CD1-CZ3 4.16Å; I54-W64 HydrophobicContact CG1-CB 4.28Å; I54-W64 PolarHBondContact N-O 3.03Å; I54-L69 HydrophobicContact CD1-CD1 4.39Å
55	F	32.4	Very low	31.9	Very low	65 Å²	65	93.1 Å²	93.1	29%	0.285	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.7	-179.8	-53.3	-91.6	0	0	0	108.1	Y34 R38 G53 G59 R60 K61	Y34-F55 PolarHBondContact OH-N 2.97Å; Y34-F55 PolarHBondContact OH-O 3.19Å; R38-F55 VanDerWaalsContact NH2-CB 3.3Å; R38-F55 PolarHBondContact NH2-O 3.01Å; G53-F55 WeakPolarHBondContact O-CD2 3.48Å; G53-F55 WeakPolarHBondContact O-CE2 3.38Å; G53-F55 PolarHBondContact O-N 3.42Å; F55-G59 WeakPolarHBondContact CD1-O 3.47Å; F55-R60 VanDerWaalsContact CA-O 3.29Å; F55-R60 WeakPolarHBondContact CA-O 3.2Å; F55-K61 VanDerWaalsContact CD1-CA 3.46Å; F55-K61 HydrophobicContact CD1-CB 3.75Å; F55-K61 HydrophobicContact CD1-CG 4.41Å; F55-K61 HydrophobicContact CE1-CB 3.63Å; F55-K61 HydrophobicContact CE1-CG 4.06Å
56	D	34.2	Very low	32.2	Very low	37 Å²	37	96.9 Å²	96.9	20%	0.198	52%	0.52	C	S	.	.			trans	-68.5	173.9	173.3	66.5	22	0	0	0	112	S58 G59 R60	D56-S58 PolarHBondContact O-N 3.02Å; D56-S58 VanDerWaalsContact OD1-C 3.29Å; D56-S58 VanDerWaalsContact OD1-CA 3.27Å; D56-S58 WeakPolarHBondContact OD1-CA 3.43Å; D56-S58 WeakPolarHBondContact OD1-CB 3.3Å; D56-S58 PolarHBondContact OD1-N 3.46Å; D56-S58 PolarHBondContact OD1-OG 3.32Å; D56-S58 PolarHBondContact OD2-OG 2.83Å; D56-G59 PolarHBondContact O-N 3.05Å; D56-G59 PolarHBondContact OD1-N 3.3Å; D56-R60 PolarHBondContact N-O 3.22Å; D56-R60 PolarHBondContact OD1-N 3.4Å; D56-R60 IonicContact OD2-NE 3.83Å
57	V	30.6	Very low	32.6	Very low	164 Å²	164	97.6 Å²	97.6	99%	0.994	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.7	176.8	-67.8	0	0	0	0	113.8
58	S	28.2	Very low	33.6	Very low	66 Å²	66	96.3 Å²	96.3	46%	0.462	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.3	175	59.4	0	0	0	0	113.7	D56 R60	D56-S58 PolarHBondContact O-N 3.02Å; D56-S58 VanDerWaalsContact OD1-C 3.29Å; D56-S58 VanDerWaalsContact OD1-CA 3.27Å; D56-S58 WeakPolarHBondContact OD1-CA 3.43Å; D56-S58 WeakPolarHBondContact OD1-CB 3.3Å; D56-S58 PolarHBondContact OD1-N 3.46Å; D56-S58 PolarHBondContact OD1-OG 3.32Å; D56-S58 PolarHBondContact OD2-OG 2.83Å; S58-R60 PolarHBondContact O-N 3.14Å; S58-R60 PolarHBondContact OG-NE 3.43Å; S58-R60 VanDerWaalsContact OG-NE 3.13Å; S58-R60 PolarHBondContact OG-NH2 3.14Å
59	G	31.5	Very low	34.6	Very low	52 Å²	52	91.2 Å²	91.2	54%	0.536	47%	0.47	S	S	.	.	S	Bend	trans	71.4	12.3	179	0	0	0	0	0	114.2	F55 D56	F55-G59 WeakPolarHBondContact CD1-O 3.47Å; D56-G59 PolarHBondContact O-N 3.05Å; D56-G59 PolarHBondContact OD1-N 3.3Å
60	R	31.2	Very low	35.5	Very low	168 Å²	168	87.1 Å²	87.1	63%	0.634	46%	0.457	S	S	*	.			trans	-91.6	132.7	-179	-66.9	-176.7	-66.6	-162.9	-5.2	111.4	F55 D56 S58 K62	F55-R60 VanDerWaalsContact CA-O 3.29Å; F55-R60 WeakPolarHBondContact CA-O 3.2Å; D56-R60 PolarHBondContact N-O 3.22Å; D56-R60 PolarHBondContact OD1-N 3.4Å; D56-R60 IonicContact OD2-NE 3.83Å; S58-R60 PolarHBondContact O-N 3.14Å; S58-R60 PolarHBondContact OG-NE 3.43Å; S58-R60 VanDerWaalsContact OG-NE 3.13Å; S58-R60 PolarHBondContact OG-NH2 3.14Å; R60-K62 PolarHBondContact O-N 2.93Å
61	K	35.6	Very low	36.6	Very low	136 Å²	136	90.4 Å²	90.4	59%	0.591	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	112.6	-179.9	-170	-178	179.1	-178.2	0	108.3	F55	F55-K61 VanDerWaalsContact CD1-CA 3.46Å; F55-K61 HydrophobicContact CD1-CB 3.75Å; F55-K61 HydrophobicContact CD1-CG 4.41Å; F55-K61 HydrophobicContact CE1-CB 3.63Å; F55-K61 HydrophobicContact CE1-CG 4.06Å
62	K	43.6	Very low	37.5	Very low	171 Å²	171	84.1 Å²	84.1	74%	0.743	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	-20.2	179.5	-127.2	-176.5	-179	-175.7	0	117.2	I54 R60	I54-K62 PolarHBondContact O-N 3.25Å; R60-K62 PolarHBondContact O-N 2.93Å
63	W	42.7	Very low	38.5	Very low	88 Å²	88	84.1 Å²	84.1	33%	0.333	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-67.4	-158.7	-60.7	69.2	0	0	0	112.3	I54 K84	I54-W63 HydrophobicContact CB-CB 3.77Å; I54-W63 HydrophobicContact CG2-CB 3.53Å; I54-W63 HydrophobicContact CG2-CG 4.01Å; I54-W63 PolarHBondContact O-N 2.86Å; W63-K84 HydrophobicContact CE3-CD 3.66Å; W63-K84 HydrophobicContact CH2-CB 4.42Å; W63-K84 HydrophobicContact CH2-CD 3.91Å; W63-K84 HydrophobicContact CZ3-CB 3.91Å; W63-K84 HydrophobicContact CZ3-CD 3.08Å; W63-K84 HydrophobicContact CZ3-CG 4.11Å
64	W	37.7	Very low	39.1	Very low	36 Å²	36	85.6 Å²	85.6	14%	0.136	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.3	175.3	-64.9	-47.6	0	0	0	111.5	G53 I54 D68 L69 M72 Q80	G53-W64 CarbonylContact C-O 3.56Å; G53-W64 VanDerWaalsContact CA-O 3.3Å; G53-W64 WeakPolarHBondContact CA-O 3.47Å; I54-W64 HydrophobicContact CD1-CB 4.03Å; I54-W64 HydrophobicContact CD1-CD2 4.17Å; I54-W64 HydrophobicContact CD1-CE3 3.38Å; I54-W64 HydrophobicContact CD1-CG 4.48Å; I54-W64 HydrophobicContact CD1-CZ3 4.16Å; I54-W64 HydrophobicContact CG1-CB 4.28Å; I54-W64 PolarHBondContact N-O 3.03Å; W64-D68 HydrophobicContact CB-CB 4.01Å; W64-D68 HydrophobicContact CG-CB 4.21Å; W64-L69 HydrophobicContact CB-CD1 4.33Å; W64-L69 HydrophobicContact CB-CG 4.16Å; W64-L69 HydrophobicContact CE3-CD2 3.95Å; W64-L69 HydrophobicContact CE3-CG 4.49Å; W64-M72 HydrophobicContact CD2-CE 4.14Å; W64-M72 HydrophobicContact CG-CE 4.47Å; W64-M72 HydrophobicContact CZ2-CE 4.1Å; W64-M72 HydrophobicContact CZ2-SD 4.36Å; W64-Q80 HydrophobicContact CH2-CB 3.92Å; W64-Q80 HydrophobicContact CZ2-CB 4.07Å
65	A	37.9	Very low	39.7	Very low	27 Å²	27	89.7 Å²	89.7	22%	0.223	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	158.1	160.9	0	0	0	0	0	109.6	H67 D68 L69	A65-H67 PolarHBondContact O-N 2.89Å; A65-D68 PolarHBondContact N-OD2 3.23Å; A65-D68 WeakPolarHBondContact O-CA 3.41Å; A65-D68 WeakPolarHBondContact O-CB 3.32Å; A65-D68 PolarHBondContact O-N 3.15Å; A65-L69 PolarHBondContact O-N 3.43Å
66	W	35.3	Very low	40.9	Very low	126 Å²	126	90 Å²	90	48%	0.477	47%	0.474	S	S	.	.	H	α-helix	trans	-45.2	-36.8	174.6	-117.7	51.8	0	0	0	114.5	L20 P52 D68 L69 G70	L20-W66 HydrophobicContact CD1-CH2 4.17Å; L20-W66 HydrophobicContact CD1-CZ2 4.03Å; P52-W66 HydrophobicContact CB-CG 4.49Å; P52-W66 HydrophobicContact CG-CD2 4.15Å; P52-W66 HydrophobicContact CG-CG 3.8Å; P52-W66 PolarHBondContact O-N 3.39Å; W66-D68 VanDerWaalsContact C-N 3.33Å; W66-D68 PolarHBondContact O-N 3.03Å; W66-L69 PolarHBondContact O-N 2.84Å; W66-G70 PolarHBondContact O-N 3.43Å
67	H	35.1	Very low	41.5	Very low	155 Å²	155	88.6 Å²	88.6	72%	0.718	47%	0.468	S	S	*	.	H	α-helix	trans	-67.6	-29.2	176.8	-64.9	-64.3	0	0	0	114	A65	A65-H67 PolarHBondContact O-N 2.89Å
68	D	45.5	Very low	42.2	Very low	82 Å²	82	82.4 Å²	82.4	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-75.4	-33.4	179.8	-54.5	-35	0	0	0	110.8	W64 A65 W66	W64-D68 HydrophobicContact CB-CB 4.01Å; W64-D68 HydrophobicContact CG-CB 4.21Å; A65-D68 PolarHBondContact N-OD2 3.23Å; A65-D68 WeakPolarHBondContact O-CA 3.41Å; A65-D68 WeakPolarHBondContact O-CB 3.32Å; A65-D68 PolarHBondContact O-N 3.15Å; W66-D68 VanDerWaalsContact C-N 3.33Å; W66-D68 PolarHBondContact O-N 3.03Å
69	L	45.6	Very low	43.6	Very low	36 Å²	36	84.7 Å²	84.7	19%	0.188	43%	0.429	C	S	.	.	H	α-helix	trans	-74.8	-40.5	177.6	-77.1	154.1	0	0	0	112.9	F35 I54 W64 A65 W66 N71 M72	F35-L69 HydrophobicContact CE1-CD1 3.4Å; F35-L69 VanDerWaalsContact CE1-CD1 3.4Å; F35-L69 HydrophobicContact CE2-CD1 4.38Å; F35-L69 HydrophobicContact CE2-CD2 4.13Å; F35-L69 HydrophobicContact CZ-CD1 3.28Å; F35-L69 HydrophobicContact CZ-CD2 3.59Å; F35-L69 HydrophobicContact CZ-CG 4.06Å; I54-L69 HydrophobicContact CD1-CD1 4.39Å; W64-L69 HydrophobicContact CB-CD1 4.33Å; W64-L69 HydrophobicContact CB-CG 4.16Å; W64-L69 HydrophobicContact CE3-CD2 3.95Å; W64-L69 HydrophobicContact CE3-CG 4.49Å; A65-L69 PolarHBondContact O-N 3.43Å; W66-L69 PolarHBondContact O-N 2.84Å; L69-N71 PolarHBondContact O-N 3.42Å; L69-N71 VanDerWaalsContact O-N 3.1Å; L69-M72 PolarHBondContact O-N 3.33Å
70	G	43.4	Very low	44.7	Very low	63 Å²	63	85 Å²	85	65%	0.649	42%	0.417	S	S	*	.	H	α-helix	trans	-62.2	-20	-176.7	0	0	0	0	0	114.9	W66	W66-G70 PolarHBondContact O-N 3.43Å
71	N	51.5	Low	45.5	Very low	149 Å²	149	80.4 Å²	80.4	80%	0.797	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-4.2	176.8	-69	-31.2	0	0	0	113.3	L69	L69-N71 PolarHBondContact O-N 3.42Å; L69-N71 VanDerWaalsContact O-N 3.1Å
72	M	47.9	Very low	46.2	Very low	40 Å²	40	76 Å²	76	20%	0.197	38%	0.383	C	S	.	.	S	Bend	trans	-94.1	127.3	-174.3	-163.9	176	-46.1	0	0	110.4	W64 L69 E76 A77	W64-M72 HydrophobicContact CD2-CE 4.14Å; W64-M72 HydrophobicContact CG-CE 4.47Å; W64-M72 HydrophobicContact CZ2-CE 4.1Å; W64-M72 HydrophobicContact CZ2-SD 4.36Å; L69-M72 PolarHBondContact O-N 3.33Å; M72-E76 HydrophobicContact CG-CB 4.29Å; M72-E76 HydrophobicContact CG-CG 4.35Å; M72-A77 HydrophobicContact CG-CB 4.15Å; M72-A77 VanDerWaalsContact SD-CA 3.54Å; M72-A77 HydrophobicContact SD-CB 3.65Å
73	P	50.5	Low	46.9	Very low	77 Å²	77	71.2 Å²	71.2	50%	0.5	37%	0.365	S	S	.	.			trans	-56.4	141.3	168.4	-25.3	36.1	0	0	0	111.3	D75 E76 A77	P73-D75 VanDerWaalsContact C-N 3.32Å; P73-D75 WeakPolarHBondContact CB-OD1 3.42Å; P73-D75 PolarHBondContact O-N 2.88Å; P73-E76 HydrophobicContact CB-CB 4.31Å; P73-E76 PolarHBondContact O-N 2.97Å; P73-E76 VanDerWaalsContact O-N 3.17Å; P73-A77 PolarHBondContact O-N 2.82Å
74	V	45	Very low	47.3	Very low	39 Å²	39	69.9 Å²	69.9	24%	0.236	36%	0.362	C	S	.	.	H	α-helix	trans	-55.6	-46.7	-176.1	159.2	0	0	0	0	111.9	I23 L27 E76 A77 Q78	I23-V74 HydrophobicContact CG2-CG2 4.04Å; L27-V74 HydrophobicContact CD2-CB 4.19Å; L27-V74 HydrophobicContact CD2-CG1 3.43Å; L27-V74 VanDerWaalsContact CD2-CG1 3.43Å; L27-V74 HydrophobicContact CD2-CG2 4.14Å; L27-V74 HydrophobicContact CG-CG1 3.99Å; L27-V74 HydrophobicContact CG-CG2 4.29Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 3.1Å; V74-A77 PolarHBondContact O-N 3.05Å; V74-Q78 HydrophobicContact CG1-CG 4.49Å; V74-Q78 VanDerWaalsContact O-CG 3.22Å; V74-Q78 WeakPolarHBondContact O-CG 3.24Å; V74-Q78 PolarHBondContact O-N 2.96Å
75	D	48.5	Very low	47.6	Very low	107 Å²	107	70.1 Å²	70.1	57%	0.572	37%	0.365	S	S	*	.	H	α-helix	trans	-60.8	-39.3	179	58	-36.2	0	0	0	112.6	P73 K79	P73-D75 VanDerWaalsContact C-N 3.32Å; P73-D75 WeakPolarHBondContact CB-OD1 3.42Å; P73-D75 PolarHBondContact O-N 2.88Å; D75-K79 VanDerWaalsContact O-CB 3.3Å; D75-K79 WeakPolarHBondContact O-CB 3.18Å; D75-K79 PolarHBondContact O-N 3.48Å
76	E	56.6	Low	48.4	Very low	70 Å²	70	72.6 Å²	72.6	33%	0.327	37%	0.373	S	S	.	.	H	α-helix	trans	-70.3	-40.5	176.8	-174	59.4	-153.6	0	0	111.7	M72 P73 V74 K79 Q80	M72-E76 HydrophobicContact CG-CB 4.29Å; M72-E76 HydrophobicContact CG-CG 4.35Å; P73-E76 HydrophobicContact CB-CB 4.31Å; P73-E76 PolarHBondContact O-N 2.97Å; P73-E76 VanDerWaalsContact O-N 3.17Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 3.1Å; E76-K79 PolarHBondContact O-N 3.19Å; E76-Q80 WeakPolarHBondContact O-CB 3.26Å; E76-Q80 WeakPolarHBondContact O-CG 3.34Å; E76-Q80 PolarHBondContact O-N 3.32Å; E76-Q80 PolarHBondContact OE1-NE2 3.4Å
77	A	47.6	Very low	49.2	Very low	8 Å²	8	73.9 Å²	73.9	7%	0.066	38%	0.384	C	S	.	.	H	α-helix	trans	-62.7	-43.2	175.9	0	0	0	0	0	111.8	M72 P73 V74 Y81	M72-A77 HydrophobicContact CG-CB 4.15Å; M72-A77 VanDerWaalsContact SD-CA 3.54Å; M72-A77 HydrophobicContact SD-CB 3.65Å; P73-A77 PolarHBondContact O-N 2.82Å; V74-A77 PolarHBondContact O-N 3.05Å; A77-Y81 WeakPolarHBondContact O-CB 3.48Å; A77-Y81 PolarHBondContact O-N 3.27Å
78	Q	46.1	Very low	49.5	Very low	34 Å²	34	73 Å²	73	16%	0.159	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-50.9	175.9	-72.7	175.1	-29.8	0	0	111.6	L27 D28 V74 Q80 Y81 I82	L27-Q78 HydrophobicContact CD2-CG 4.06Å; D28-Q78 VanDerWaalsContact OD1-CG 3.25Å; D28-Q78 WeakPolarHBondContact OD1-CG 3.32Å; D28-Q78 PolarHBondContact OD1-NE2 3.46Å; D28-Q78 PolarHBondContact OD2-NE2 3.36Å; V74-Q78 HydrophobicContact CG1-CG 4.49Å; V74-Q78 VanDerWaalsContact O-CG 3.22Å; V74-Q78 WeakPolarHBondContact O-CG 3.24Å; V74-Q78 PolarHBondContact O-N 2.96Å; Q78-Q80 PolarHBondContact O-N 3.01Å; Q78-Y81 PolarHBondContact O-N 3.36Å; Q78-I82 WeakPolarHBondContact O-CG1 3.35Å; Q78-I82 PolarHBondContact O-N 2.83Å
79	K	56.9	Low	49.3	Very low	114 Å²	114	72 Å²	72	50%	0.496	38%	0.378	S	S	.	.	H	α-helix	trans	-58.7	-50.3	179.4	-177.4	-175.7	172.5	-166.9	0	111.3	D75 E76 Y81 I82 D83	D75-K79 VanDerWaalsContact O-CB 3.3Å; D75-K79 WeakPolarHBondContact O-CB 3.18Å; D75-K79 PolarHBondContact O-N 3.48Å; E76-K79 PolarHBondContact O-N 3.19Å; K79-Y81 PolarHBondContact O-N 3.43Å; K79-I82 PolarHBondContact O-N 3.26Å; K79-D83 WeakPolarHBondContact O-CB 3.35Å; K79-D83 PolarHBondContact O-N 3.01Å
80	Q	54.2	Low	50.1	Low	59 Å²	59	75.5 Å²	75.5	28%	0.276	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-31.1	179.1	-72.5	-171.4	36.9	0	0	112.9	W64 E76 Q78 K84	W64-Q80 HydrophobicContact CH2-CB 3.92Å; W64-Q80 HydrophobicContact CZ2-CB 4.07Å; E76-Q80 WeakPolarHBondContact O-CB 3.26Å; E76-Q80 WeakPolarHBondContact O-CG 3.34Å; E76-Q80 PolarHBondContact O-N 3.32Å; E76-Q80 PolarHBondContact OE1-NE2 3.4Å; Q78-Q80 PolarHBondContact O-N 3.01Å; Q80-K84 WeakPolarHBondContact O-CB 3.4Å; Q80-K84 VanDerWaalsContact O-CG 3.23Å; Q80-K84 WeakPolarHBondContact O-CG 3.43Å; Q80-K84 PolarHBondContact O-N 2.94Å
81	Y	47.4	Very low	50.2	Low	72 Å²	72	76.5 Å²	76.5	28%	0.282	41%	0.405	S	S	.	.	H	α-helix	trans	-70.6	-48.1	174.5	-179	-103.7	0	0	0	111.9	N30 A77 Q78 K79 K84 L85	N30-Y81 HydrophobicContact CB-CE1 4.45Å; A77-Y81 WeakPolarHBondContact O-CB 3.48Å; A77-Y81 PolarHBondContact O-N 3.27Å; Q78-Y81 PolarHBondContact O-N 3.36Å; K79-Y81 PolarHBondContact O-N 3.43Å; Y81-K84 PolarHBondContact O-N 3.07Å; Y81-L85 HydrophobicContact CD1-CD1 3.91Å; Y81-L85 HydrophobicContact CD1-CG 4.43Å; Y81-L85 HydrophobicContact CE1-CD1 3.3Å; Y81-L85 HydrophobicContact CE1-CG 4.03Å; Y81-L85 HydrophobicContact CE2-CG 4.48Å; Y81-L85 PolarHBondContact O-N 2.98Å
82	I	50.6	Low	49.9	Very low	43 Å²	43	72.5 Å²	72.5	22%	0.221	38%	0.379	C	S	.	.	H	α-helix	trans	-61	-48.5	177.6	-68.5	168.6	0	0	0	110.8	Q78 K79 K84 L85 Q86 W92	Q78-I82 WeakPolarHBondContact O-CG1 3.35Å; Q78-I82 PolarHBondContact O-N 2.83Å; K79-I82 PolarHBondContact O-N 3.26Å; I82-K84 PolarHBondContact O-N 2.85Å; I82-L85 PolarHBondContact O-N 3.21Å; I82-L85 VanDerWaalsContact O-N 3.15Å; I82-Q86 HydrophobicContact CG2-CG 4.46Å; I82-Q86 WeakPolarHBondContact O-CG 3.4Å; I82-Q86 PolarHBondContact O-N 3.45Å; I82-W92 HydrophobicContact CG2-CZ3 4.49Å
83	D	58	Low	49.8	Very low	71 Å²	71	78.9 Å²	78.9	38%	0.38	41%	0.406	S	S	.	.	H	α-helix	trans	-55.4	-43.2	179.5	-73.2	-12.5	0	0	0	110.2	K79 Q86 E87	K79-D83 WeakPolarHBondContact O-CB 3.35Å; K79-D83 PolarHBondContact O-N 3.01Å; D83-Q86 PolarHBondContact O-N 3.03Å; D83-E87 WeakPolarHBondContact O-CG 3.11Å; D83-E87 PolarHBondContact O-N 3.29Å
84	K	51.1	Low	49.5	Very low	60 Å²	60	78.3 Å²	78.3	26%	0.261	40%	0.402	S	S	.	.	H	α-helix	trans	-74	-34.5	179	-70.9	-172.3	-172.4	-176.5	0	114.2	W63 Q80 Y81 I82 Q86 E87 L88	W63-K84 HydrophobicContact CE3-CD 3.66Å; W63-K84 HydrophobicContact CH2-CB 4.42Å; W63-K84 HydrophobicContact CH2-CD 3.91Å; W63-K84 HydrophobicContact CZ3-CB 3.91Å; W63-K84 HydrophobicContact CZ3-CD 3.08Å; W63-K84 HydrophobicContact CZ3-CG 4.11Å; Q80-K84 WeakPolarHBondContact O-CB 3.4Å; Q80-K84 VanDerWaalsContact O-CG 3.23Å; Q80-K84 WeakPolarHBondContact O-CG 3.43Å; Q80-K84 PolarHBondContact O-N 2.94Å; Y81-K84 PolarHBondContact O-N 3.07Å; I82-K84 PolarHBondContact O-N 2.85Å; K84-Q86 PolarHBondContact O-N 2.98Å; K84-E87 PolarHBondContact O-N 3.28Å; K84-L88 WeakPolarHBondContact O-CG 3.41Å; K84-L88 PolarHBondContact O-N 3.5Å; K84-L88 VanDerWaalsContact O-N 3.08Å
85	L	45.5	Very low	49.3	Very low	40 Å²	40	78.4 Å²	78.4	21%	0.209	41%	0.405	C	S	.	.	H	α-helix	trans	-61.6	-39	170.7	-77.9	-179.2	0	0	0	110.8	Y81 I82 L88 N89 W92	Y81-L85 HydrophobicContact CD1-CD1 3.91Å; Y81-L85 HydrophobicContact CD1-CG 4.43Å; Y81-L85 HydrophobicContact CE1-CD1 3.3Å; Y81-L85 HydrophobicContact CE1-CG 4.03Å; Y81-L85 HydrophobicContact CE2-CG 4.48Å; Y81-L85 PolarHBondContact O-N 2.98Å; I82-L85 PolarHBondContact O-N 3.21Å; I82-L85 VanDerWaalsContact O-N 3.15Å; L85-L88 PolarHBondContact O-N 3Å; L85-N89 PolarHBondContact O-N 3.36Å; L85-W92 HydrophobicContact CB-CD2 4.44Å; L85-W92 HydrophobicContact CB-CE3 4.19Å; L85-W92 HydrophobicContact CB-CZ3 4.46Å; L85-W92 HydrophobicContact CD1-CD2 4.28Å; L85-W92 HydrophobicContact CD1-CE3 4.24Å; L85-W92 HydrophobicContact CD1-CH2 3.71Å; L85-W92 HydrophobicContact CD1-CZ2 3.77Å; L85-W92 HydrophobicContact CD1-CZ3 3.97Å
86	Q	54.2	Low	48.9	Very low	80 Å²	80	77.3 Å²	77.3	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-73.1	-31.2	176.7	-70	179.9	-23.9	0	0	113	I82 D83 K84 L88 N89 P90	I82-Q86 HydrophobicContact CG2-CG 4.46Å; I82-Q86 WeakPolarHBondContact O-CG 3.4Å; I82-Q86 PolarHBondContact O-N 3.45Å; D83-Q86 PolarHBondContact O-N 3.03Å; K84-Q86 PolarHBondContact O-N 2.98Å; Q86-L88 VanDerWaalsContact C-N 3.34Å; Q86-N89 CarbonylContact O-C 3.27Å; Q86-N89 VanDerWaalsContact O-C 3.27Å; Q86-P90 WeakPolarHBondContact O-CA 3.46Å; Q86-P90 WeakPolarHBondContact O-CD 3.29Å; Q86-P90 WeakPolarHBondContact O-CG 3.44Å
87	E	51.6	Low	47.8	Very low	153 Å²	153	81.2 Å²	81.2	72%	0.715	42%	0.417	S	S	*	.	H	α-helix	trans	-61.6	-42.7	169.2	-77.5	179.6	176.5	0	0	111.7	D83 K84	D83-E87 WeakPolarHBondContact O-CG 3.11Å; D83-E87 PolarHBondContact O-N 3.29Å; K84-E87 PolarHBondContact O-N 3.28Å
88	L	42.3	Very low	47.3	Very low	135 Å²	135	87.1 Å²	87.1	71%	0.707	44%	0.441	S	S	*	.	H	α-helix	trans	-75	-37.9	179	-70.3	169.9	0	0	0	112.3	K84 L85 Q86	K84-L88 WeakPolarHBondContact O-CG 3.41Å; K84-L88 PolarHBondContact O-N 3.5Å; K84-L88 VanDerWaalsContact O-N 3.08Å; L85-L88 PolarHBondContact O-N 3Å; Q86-L88 VanDerWaalsContact C-N 3.34Å
89	N	41.6	Very low	46.7	Very low	61 Å²	61	86.7 Å²	86.7	33%	0.326	44%	0.439	S	S	.	.			trans	-143	91.8	-179.6	-177.3	1.6	0	0	0	110.5	L85 Q86 A91 W92	L85-N89 PolarHBondContact O-N 3.36Å; Q86-N89 CarbonylContact O-C 3.27Å; Q86-N89 VanDerWaalsContact O-C 3.27Å; N89-A91 PolarHBondContact O-N 3.1Å; N89-A91 PolarHBondContact OD1-N 3.23Å; N89-W92 HydrophobicContact CB-CB 4.15Å; N89-W92 VanDerWaalsContact O-CB 3.27Å; N89-W92 WeakPolarHBondContact O-CB 3.37Å; N89-W92 PolarHBondContact O-N 3.42Å
90	P	61.9	Low	45.9	Very low	110 Å²	110	83.8 Å²	83.8	71%	0.714	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19	-178.8	-24.8	33.4	0	0	0	114.5	Q86	Q86-P90 WeakPolarHBondContact O-CA 3.46Å; Q86-P90 WeakPolarHBondContact O-CD 3.29Å; Q86-P90 WeakPolarHBondContact O-CG 3.44Å
91	A	45.9	Very low	44.9	Very low	84 Å²	84	84.3 Å²	84.3	69%	0.694	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.1	178.2	0	0	0	0	0	113.1	N89	N89-A91 PolarHBondContact O-N 3.1Å; N89-A91 PolarHBondContact OD1-N 3.23Å
92	W	43.9	Very low	44.3	Very low	65 Å²	65	82.2 Å²	82.2	25%	0.246	43%	0.43	C	S	.	.			trans	-66.1	136.7	-179.3	-175.4	88.1	0	0	0	111.5	I82 L85 N89 P94	I82-W92 HydrophobicContact CG2-CZ3 4.49Å; L85-W92 HydrophobicContact CB-CD2 4.44Å; L85-W92 HydrophobicContact CB-CE3 4.19Å; L85-W92 HydrophobicContact CB-CZ3 4.46Å; L85-W92 HydrophobicContact CD1-CD2 4.28Å; L85-W92 HydrophobicContact CD1-CE3 4.24Å; L85-W92 HydrophobicContact CD1-CH2 3.71Å; L85-W92 HydrophobicContact CD1-CZ2 3.77Å; L85-W92 HydrophobicContact CD1-CZ3 3.97Å; N89-W92 HydrophobicContact CB-CB 4.15Å; N89-W92 VanDerWaalsContact O-CB 3.27Å; N89-W92 WeakPolarHBondContact O-CB 3.37Å; N89-W92 PolarHBondContact O-N 3.42Å; W92-P94 HydrophobicContact CH2-CB 3.65Å; W92-P94 HydrophobicContact CH2-CG 4.3Å; W92-P94 HydrophobicContact CZ2-CB 4.34Å; W92-P94 HydrophobicContact CZ3-CB 4.03Å; W92-P94 HydrophobicContact CZ3-CG 4.17Å
93	K	47.4	Very low	43.7	Very low	174 Å²	174	82 Å²	82	76%	0.757	43%	0.427	S	S	*	.			trans	-130.4	139.4	172.9	-66.9	-175.3	-179.2	-179.5	0	109.3	S95	K93-S95 PolarHBondContact O-N 2.85Å
94	P	42.5	Very low	42.7	Very low	66 Å²	66	80.6 Å²	80.6	43%	0.429	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-64.8	131.6	176.6	20.8	-26.7	0	0	0	111.4	W92	W92-P94 HydrophobicContact CH2-CB 3.65Å; W92-P94 HydrophobicContact CH2-CG 4.3Å; W92-P94 HydrophobicContact CZ2-CB 4.34Å; W92-P94 HydrophobicContact CZ3-CB 4.03Å; W92-P94 HydrophobicContact CZ3-CG 4.17Å
95	S	42.4	Very low	41.9	Very low	41 Å²	41	80.4 Å²	80.4	29%	0.287	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-59.6	150.8	173.6	-54.1	0	0	0	0	111.7	K93 Q99 R100	K93-S95 PolarHBondContact O-N 2.85Å; S95-Q99 VanDerWaalsContact CB-OE1 3.29Å; S95-R100 PolarHBondContact O-NH1 3.35Å
96	N	38.6	Very low	41.6	Very low	84 Å²	84	82 Å²	82	45%	0.449	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-70.5	153.3	-176.3	77.3	57.4	0	0	0	111.9	K98 Q99 R100	N96-K98 PolarHBondContact O-N 3.23Å; N96-K98 VanDerWaalsContact OD1-CB 3.31Å; N96-K98 WeakPolarHBondContact OD1-CB 3.01Å; N96-K98 PolarHBondContact OD1-N 3.3Å; N96-K98 VanDerWaalsContact OD1-N 3.13Å; N96-Q99 HydrophobicContact CB-CG 4.36Å; N96-Q99 VanDerWaalsContact ND2-CG 3.33Å; N96-Q99 WeakPolarHBondContact ND2-CG 3.43Å; N96-Q99 PolarHBondContact O-N 2.99Å; N96-Q99 VanDerWaalsContact O-N 3.14Å; N96-Q99 WeakPolarHBondContact OD1-CG 3.33Å; N96-Q99 PolarHBondContact OD1-N 3.14Å; N96-R100 PolarHBondContact O-N 2.94Å
97	E	34.2	Very low	40.6	Very low	151 Å²	151	81 Å²	81	71%	0.706	43%	0.426	S	S	*	.	H	α-helix	trans	-54.7	-29.4	-174.2	-166.1	177.6	173	0	0	114.3	R100 S101	E97-R100 WeakPolarHBondContact O-CB 3.31Å; E97-R100 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact O-N 3.3Å
98	K	36.2	Very low	39.8	Very low	133 Å²	133	79 Å²	79	58%	0.578	42%	0.419	S	S	*	.	H	α-helix	trans	-72.3	-45	-179.7	-158.1	177.5	179.6	-171.2	0	111.9	N96 R100 S101 V102	N96-K98 PolarHBondContact O-N 3.23Å; N96-K98 VanDerWaalsContact OD1-CB 3.31Å; N96-K98 WeakPolarHBondContact OD1-CB 3.01Å; N96-K98 PolarHBondContact OD1-N 3.3Å; N96-K98 VanDerWaalsContact OD1-N 3.13Å; K98-R100 PolarHBondContact O-N 3.43Å; K98-S101 PolarHBondContact O-N 3.3Å; K98-S101 VanDerWaalsContact O-N 3.13Å; K98-V102 PolarHBondContact O-N 2.97Å
99	Q	34	Very low	39.5	Very low	24 Å²	24	77.5 Å²	77.5	11%	0.112	41%	0.412	C	S	.	.	H	α-helix	trans	-56.5	-36.2	174.1	-34.6	-169	-87	0	0	110.8	S95 N96 Y103 N224	S95-Q99 VanDerWaalsContact CB-OE1 3.29Å; N96-Q99 HydrophobicContact CB-CG 4.36Å; N96-Q99 VanDerWaalsContact ND2-CG 3.33Å; N96-Q99 WeakPolarHBondContact ND2-CG 3.43Å; N96-Q99 PolarHBondContact O-N 2.99Å; N96-Q99 VanDerWaalsContact O-N 3.14Å; N96-Q99 WeakPolarHBondContact OD1-CG 3.33Å; N96-Q99 PolarHBondContact OD1-N 3.14Å; Q99-Y103 PolarHBondContact O-N 2.83Å; Q99-N224 WeakPolarHBondContact CB-OD1 3.46Å; Q99-N224 WeakPolarHBondContact CG-OD1 3.41Å; Q99-N224 PolarHBondContact NE2-OD1 2.8Å
100	R	39.4	Very low	39.3	Very low	53 Å²	53	78 Å²	78	20%	0.2	41%	0.414	C	S	.	.	H	α-helix	trans	-69.4	-38.1	-179.9	-64.2	-171.7	-59.1	-128.2	9.7	113	S29 S95 N96 E97 K98 V104	S29-R100 WeakPolarHBondContact OG-CB 3.4Å; S29-R100 WeakPolarHBondContact OG-CD 3.47Å; S95-R100 PolarHBondContact O-NH1 3.35Å; N96-R100 PolarHBondContact O-N 2.94Å; E97-R100 WeakPolarHBondContact O-CB 3.31Å; E97-R100 PolarHBondContact O-N 3.41Å; K98-R100 PolarHBondContact O-N 3.43Å; R100-V104 WeakPolarHBondContact O-CG2 3.26Å; R100-V104 PolarHBondContact O-N 3.29Å; R100-V104 VanDerWaalsContact O-N 3.17Å
101	S	33.6	Very low	38	Very low	70 Å²	70	76.9 Å²	76.9	49%	0.49	40%	0.402	S	S	.	.	H	α-helix	trans	-67.1	-38.1	-178.4	-177	0	0	0	0	112.7	E97 K98 S105	E97-S101 PolarHBondContact O-N 3.3Å; K98-S101 PolarHBondContact O-N 3.3Å; K98-S101 VanDerWaalsContact O-N 3.13Å; S101-S105 VanDerWaalsContact O-CB 3.27Å; S101-S105 WeakPolarHBondContact O-CB 3.37Å; S101-S105 PolarHBondContact O-N 3.47Å; S101-S105 PolarHBondContact O-OG 3.06Å
102	V	36.2	Very low	37.6	Very low	29 Å²	29	77 Å²	77	18%	0.176	40%	0.396	C	S	.	.	H	α-helix	trans	-71	-40.2	178.5	169.7	0	0	0	0	112.5	K98 S105 R106 E222	K98-V102 PolarHBondContact O-N 2.97Å; V102-S105 PolarHBondContact O-N 2.9Å; V102-R106 WeakPolarHBondContact O-CG 3.31Å; V102-R106 PolarHBondContact O-N 2.97Å; V102-E222 WeakPolarHBondContact CB-OE2 3.25Å; V102-E222 WeakPolarHBondContact CG2-OE1 3.39Å; V102-E222 WeakPolarHBondContact CG2-OE2 2.96Å
103	Y	37.2	Very low	37.2	Very low	38 Å²	38	80.9 Å²	80.9	15%	0.149	42%	0.421	C	S	.	.	H	α-helix	trans	-61.2	-48.5	175.6	-171.5	-94.4	0	0	0	111.7	L33 Q99 S105 R106 M107	L33-Y103 HydrophobicContact CD1-CD1 4.1Å; L33-Y103 HydrophobicContact CD1-CE1 3.54Å; L33-Y103 HydrophobicContact CD2-CD1 4.09Å; L33-Y103 HydrophobicContact CD2-CE1 3.71Å; L33-Y103 HydrophobicContact CG-CE1 4.26Å; Q99-Y103 PolarHBondContact O-N 2.83Å; Y103-S105 PolarHBondContact O-N 3.3Å; Y103-R106 PolarHBondContact O-N 3.31Å; Y103-M107 HydrophobicContact CD1-CG 4.37Å; Y103-M107 HydrophobicContact CD1-SD 3.94Å; Y103-M107 HydrophobicContact CE1-CE 4Å; Y103-M107 HydrophobicContact CE1-CG 4.05Å; Y103-M107 HydrophobicContact CE1-SD 3.31Å; Y103-M107 WeakPolarHBondContact CE1-SD 3.41Å; Y103-M107 WeakPolarHBondContact O-CG 3.32Å; Y103-M107 PolarHBondContact O-N 3.31Å
104	V	37.1	Very low	36.5	Very low	42 Å²	42	74.2 Å²	74.2	26%	0.255	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-43.1	176.4	172.6	0	0	0	0	111.5	R100 R106 M107 I108	R100-V104 WeakPolarHBondContact O-CG2 3.26Å; R100-V104 PolarHBondContact O-N 3.29Å; R100-V104 VanDerWaalsContact O-N 3.17Å; V104-R106 VanDerWaalsContact C-N 3.32Å; V104-R106 PolarHBondContact O-N 3.04Å; V104-M107 PolarHBondContact O-N 2.87Å; V104-I108 HydrophobicContact CG1-CD1 3.58Å; V104-I108 HydrophobicContact CG1-CG1 4.17Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.48Å; V104-I108 PolarHBondContact O-N 3.42Å
105	S	35.1	Very low	36.4	Very low	55 Å²	55	78.8 Å²	78.8	39%	0.385	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-39.2	178.8	-61.4	0	0	0	0	112	S101 V102 Y103 N109	S101-S105 VanDerWaalsContact O-CB 3.27Å; S101-S105 WeakPolarHBondContact O-CB 3.37Å; S101-S105 PolarHBondContact O-N 3.47Å; S101-S105 PolarHBondContact O-OG 3.06Å; V102-S105 PolarHBondContact O-N 2.9Å; Y103-S105 PolarHBondContact O-N 3.3Å; S105-N109 VanDerWaalsContact O-CG 3.31Å; S105-N109 PolarHBondContact O-N 3.01Å; S105-N109 PolarHBondContact O-ND2 3.43Å
106	R	37.9	Very low	36	Very low	74 Å²	74	82.9 Å²	82.9	28%	0.279	43%	0.432	S	S	.	.	H	α-helix	trans	-65.7	-46.5	174.4	-73.6	179.8	-177.4	-159.9	-5	111.3	V102 Y103 V104 I108 N109 L110 Q191	V102-R106 WeakPolarHBondContact O-CG 3.31Å; V102-R106 PolarHBondContact O-N 2.97Å; Y103-R106 PolarHBondContact O-N 3.31Å; V104-R106 VanDerWaalsContact C-N 3.32Å; V104-R106 PolarHBondContact O-N 3.04Å; R106-I108 PolarHBondContact O-N 3.15Å; R106-N109 PolarHBondContact O-N 2.81Å; R106-L110 WeakPolarHBondContact O-CD1 3.27Å; R106-L110 VanDerWaalsContact O-CG 3.24Å; R106-L110 WeakPolarHBondContact O-CG 3.39Å; R106-L110 PolarHBondContact O-N 2.92Å; R106-L110 VanDerWaalsContact O-N 3.16Å; R106-Q191 VanDerWaalsContact NH1-NE2 3.15Å; R106-Q191 VanDerWaalsContact NH2-NE2 3.15Å
107	M	33.4	Very low	36.5	Very low	58 Å²	58	80 Å²	80	29%	0.286	42%	0.418	S	S	.	.	H	α-helix	trans	-62.4	-38.6	178.1	-73.8	-168.6	122.8	0	0	114.5	L33 Y103 V104 N109 L110	L33-M107 HydrophobicContact CD1-CE 4.25Å; L33-M107 HydrophobicContact CD1-SD 3.54Å; L33-M107 VanDerWaalsContact CD1-SD 3.54Å; Y103-M107 HydrophobicContact CD1-CG 4.37Å; Y103-M107 HydrophobicContact CD1-SD 3.94Å; Y103-M107 HydrophobicContact CE1-CE 4Å; Y103-M107 HydrophobicContact CE1-CG 4.05Å; Y103-M107 HydrophobicContact CE1-SD 3.31Å; Y103-M107 WeakPolarHBondContact CE1-SD 3.41Å; Y103-M107 WeakPolarHBondContact O-CG 3.32Å; Y103-M107 PolarHBondContact O-N 3.31Å; V104-M107 PolarHBondContact O-N 2.87Å; M107-N109 VanDerWaalsContact C-N 3.32Å; M107-L110 PolarHBondContact O-N 3.47Å
108	I	35.5	Very low	36.9	Very low	113 Å²	113	76.9 Å²	76.9	58%	0.579	41%	0.411	S	S	*	.	H	α-helix	trans	-65.9	-38.6	178.1	-70.9	171	0	0	0	110.8	V104 R106 L110	V104-I108 HydrophobicContact CG1-CD1 3.58Å; V104-I108 HydrophobicContact CG1-CG1 4.17Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.48Å; V104-I108 PolarHBondContact O-N 3.42Å; R106-I108 PolarHBondContact O-N 3.15Å; I108-L110 VanDerWaalsContact C-N 3.31Å
109	N	36.1	Very low	37.4	Very low	103 Å²	103	74.5 Å²	74.5	55%	0.551	40%	0.404	S	S	*	.	H	α-helix	trans	-83.7	-3.6	-178.3	-64.8	-34.3	0	0	0	113.7	S105 R106 M107 P118	S105-N109 VanDerWaalsContact O-CG 3.31Å; S105-N109 PolarHBondContact O-N 3.01Å; S105-N109 PolarHBondContact O-ND2 3.43Å; R106-N109 PolarHBondContact O-N 2.81Å; M107-N109 VanDerWaalsContact C-N 3.32Å; N109-P118 HydrophobicContact CB-CG 4.01Å
110	L	36.4	Very low	38.1	Very low	71 Å²	71	77 Å²	77	37%	0.372	42%	0.421	S	S	.	.	S	Bend	trans	-84.8	109	173.5	-76.4	163.6	0	0	0	109.6	R106 M107 I108 P112	R106-L110 WeakPolarHBondContact O-CD1 3.27Å; R106-L110 VanDerWaalsContact O-CG 3.24Å; R106-L110 WeakPolarHBondContact O-CG 3.39Å; R106-L110 PolarHBondContact O-N 2.92Å; R106-L110 VanDerWaalsContact O-N 3.16Å; M107-L110 PolarHBondContact O-N 3.47Å; I108-L110 VanDerWaalsContact C-N 3.31Å; L110-P112 WeakPolarHBondContact O-CD 3.24Å
111	D	36.2	Very low	38.7	Very low	87 Å²	87	75.6 Å²	75.6	47%	0.465	42%	0.419	S	S	.	.			trans	-65	118.7	166.3	165.2	9	0	0	0	108.2	N113 S114	D111-N113 PolarHBondContact O-N 2.71Å; D111-N113 VanDerWaalsContact O-N 3.1Å; D111-N113 PolarHBondContact OD1-N 3.46Å; D111-S114 VanDerWaalsContact CB-OG 3.3Å; D111-S114 WeakPolarHBondContact CB-OG 3.48Å; D111-S114 PolarHBondContact O-N 2.85Å; D111-S114 PolarHBondContact O-OG 3.41Å
112	P	37.1	Very low	39.7	Very low	86 Å²	86	79 Å²	79	56%	0.558	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.9	-173.6	25.3	-34.9	0	0	0	114.7	K40 L110	K40-P112 HydrophobicContact CD-CB 4.49Å; K40-P112 VanDerWaalsContact NZ-CG 3.29Å; L110-P112 WeakPolarHBondContact O-CD 3.24Å
113	N	34.8	Very low	40.9	Very low	146 Å²	146	78 Å²	78	78%	0.781	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-5	176.9	-62.9	-42	0	0	0	112.3	D111	D111-N113 PolarHBondContact O-N 2.71Å; D111-N113 VanDerWaalsContact O-N 3.1Å; D111-N113 PolarHBondContact OD1-N 3.46Å
114	S	33.7	Very low	42.7	Very low	35 Å²	35	79.3 Å²	79.3	25%	0.245	45%	0.451	C	S	.	.			trans	-93.1	129.9	175.2	78.8	0	0	0	0	109.6	D111 E116	D111-S114 VanDerWaalsContact CB-OG 3.3Å; D111-S114 WeakPolarHBondContact CB-OG 3.48Å; D111-S114 PolarHBondContact O-N 2.85Å; D111-S114 PolarHBondContact O-OG 3.41Å; S114-E116 PolarHBondContact O-N 2.86Å; S114-E116 PolarHBondContact OG-O 3.28Å
115	N	39.1	Very low	45	Very low	161 Å²	161	80.5 Å²	80.5	86%	0.861	45%	0.454	S	S	*	.			trans	-80.5	16.2	162.3	-74.1	-25.5	0	0	0	111.2
116	E	34.2	Very low	47.5	Very low	128 Å²	128	81.4 Å²	81.4	60%	0.598	46%	0.459	S	S	*	.			trans	-109.2	109.8	-173.8	-72.2	-169.7	160.3	0	0	110.6	S114	S114-E116 PolarHBondContact O-N 2.86Å; S114-E116 PolarHBondContact OG-O 3.28Å
117	S	48.2	Very low	50.2	Low	23 Å²	23	77.9 Å²	77.9	16%	0.161	45%	0.445	C	S	.	.			trans	-57.6	135.4	162.4	-78.2	0	0	0	0	109.6	L119 D166	S117-L119 PolarHBondContact O-N 3.27Å; S117-D166 PolarHBondContact OG-OD1 3.05Å; S117-D166 PolarHBondContact OG-OD2 3.01Å; S117-D166 VanDerWaalsContact OG-OD2 3.1Å
118	P	44.7	Very low	53	Low	86 Å²	86	75.2 Å²	75.2	56%	0.558	43%	0.432	S	S	*	.	S	Bend	trans	-66.8	5.3	-174.4	25.2	-34.4	0	0	0	115	N109 V120	N109-P118 HydrophobicContact CB-CG 4.01Å; P118-V120 PolarHBondContact O-N 2.74Å
119	L	45.8	Very low	55.6	Low	82 Å²	82	72.7 Å²	72.7	43%	0.429	42%	0.42	S	S	.	.			trans	-87.9	34.4	179	-63.5	171.8	0	0	0	112.6	S117 S121	S117-L119 PolarHBondContact O-N 3.27Å; L119-S121 VanDerWaalsContact C-N 3.25Å; L119-S121 PolarHBondContact O-N 3.02Å
120	V	49	Very low	58.3	Low	77 Å²	77	69 Å²	69	47%	0.467	40%	0.399	S	S	.	.			trans	-78.5	80.6	176.5	-167.7	0	0	0	0	109	P118	P118-V120 PolarHBondContact O-N 2.74Å
121	S	50.6	Low	60.9	Low	23 Å²	23	65.6 Å²	65.6	16%	0.161	38%	0.382	C	S	.	.			trans	-70.7	145.1	149.6	58.9	0	0	0	0	108.4	L119 T123 E155	L119-S121 VanDerWaalsContact C-N 3.25Å; L119-S121 PolarHBondContact O-N 3.02Å; S121-T123 PolarHBondContact O-N 2.92Å; S121-E155 WeakPolarHBondContact CB-OE2 3.49Å
122	D	55.9	Low	63.3	Low	143 Å²	143	64.2 Å²	64.2	77%	0.765	37%	0.372	S	S	*	.			trans	-68.3	79.3	177.7	-176.7	17.9	0	0	0	109.5	G124	D122-G124 VanDerWaalsContact C-N 3.32Å; D122-G124 PolarHBondContact O-N 3.1Å
123	T	61.4	Low	65.8	Low	7 Å²	7	67 Å²	67	4%	0.043	38%	0.377	C	S	.	.			trans	-74.3	88.2	178.3	51.5	0	0	0	0	109.1	S121 H125 F128 K132 D154 W163	S121-T123 PolarHBondContact O-N 2.92Å; T123-H125 PolarHBondContact O-N 3.49Å; T123-F128 HydrophobicContact CG2-CD2 4.38Å; T123-F128 WeakPolarHBondContact OG1-CB 3.33Å; T123-K132 PolarHBondContact OG1-NZ 2.96Å; T123-K132 VanDerWaalsContact OG1-NZ 3.11Å; T123-D154 HydrophobicContact CG2-CB 3.43Å; T123-D154 VanDerWaalsContact CG2-CB 3.43Å; T123-W163 HydrophobicContact CG2-CH2 4.46Å; T123-W163 HydrophobicContact CG2-CZ2 3.9Å
124	G	73.9	Confident	68.6	Low	66 Å²	66	63.7 Å²	63.7	68%	0.68	36%	0.36	S	S	*	.			trans	-62.2	3.3	177	0	0	0	0	0	115.4	D122	D122-G124 VanDerWaalsContact C-N 3.32Å; D122-G124 PolarHBondContact O-N 3.1Å
125	H	85.7	Confident	71.4	Confident	67 Å²	67	64.7 Å²	64.7	31%	0.31	36%	0.362	S	S	.	.			trans	-79.1	129.7	177.2	-142.1	-60.5	0	0	0	110.9	T123 I127 F128 N129 E149 S152	T123-H125 PolarHBondContact O-N 3.49Å; H125-I127 VanDerWaalsContact C-N 3.29Å; H125-I127 PolarHBondContact O-N 3.36Å; H125-F128 HydrophobicContact CB-CD2 3.53Å; H125-F128 HydrophobicContact CB-CE2 3.93Å; H125-F128 PolarHBondContact O-N 2.91Å; H125-N129 PolarHBondContact O-N 3.25Å; H125-E149 IonicContact CE1-OE1 3.66Å; H125-E149 IonicContact CE1-OE2 2.9Å; H125-E149 PolarHBondContact CE1-OE2 3.03Å; H125-E149 IonicContact ND1-OE2 3.24Å; H125-E149 PolarHBondContact ND1-OE2 3.41Å; H125-S152 PolarHBondContact NE2-OG 3.45Å
126	P	89.1	Confident	74.1	Confident	74 Å²	74	59.7 Å²	59.7	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-53.4	-40.1	-178.2	-30.2	35.1	0	0	0	114.7	F128 N129 I130 L142	P126-F128 VanDerWaalsContact C-N 3.34Å; P126-F128 PolarHBondContact O-N 3.16Å; P126-N129 PolarHBondContact O-N 3.26Å; P126-I130 WeakPolarHBondContact O-CG1 3.43Å; P126-I130 PolarHBondContact O-N 3.18Å; P126-L142 HydrophobicContact CB-CD2 4.41Å
127	I	92.9	Very high	77.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-38	-177	-166.4	162.3	0	0	0	113.1	H125 I130 I131 L139 L142 L143 E149 P160 L176	H125-I127 VanDerWaalsContact C-N 3.29Å; H125-I127 PolarHBondContact O-N 3.36Å; I127-I130 PolarHBondContact O-N 2.9Å; I127-I131 HydrophobicContact CG1-CD1 4.11Å; I127-I131 WeakPolarHBondContact O-CG1 3.47Å; I127-I131 PolarHBondContact O-N 2.96Å; I127-L139 HydrophobicContact CD1-CD1 4.01Å; I127-L139 HydrophobicContact CG1-CD1 3.83Å; I127-L142 HydrophobicContact CB-CD2 3.69Å; I127-L142 HydrophobicContact CD1-CD2 4.47Å; I127-L142 HydrophobicContact CG1-CD2 4.13Å; I127-L143 HydrophobicContact CD1-CD2 3.88Å; I127-E149 HydrophobicContact CD1-CB 3.95Å; I127-E149 WeakPolarHBondContact CD1-O 3.33Å; I127-P160 HydrophobicContact CD1-CB 4Å; I127-P160 HydrophobicContact CD1-CG 3.6Å; I127-P160 HydrophobicContact CG1-CB 4.34Å; I127-P160 HydrophobicContact CG1-CG 4.05Å; I127-P160 HydrophobicContact CG2-CG 4.04Å; I127-L176 HydrophobicContact CD1-CD2 4.48Å
128	F	92.2	Very high	79.4	Confident	1 Å²	1	56.9 Å²	56.9	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-71	-36.6	178.7	-62.3	-61.2	0	0	0	111.4	T123 H125 P126 I131 K132 D154 P160 W163	T123-F128 HydrophobicContact CG2-CD2 4.38Å; T123-F128 WeakPolarHBondContact OG1-CB 3.33Å; H125-F128 HydrophobicContact CB-CD2 3.53Å; H125-F128 HydrophobicContact CB-CE2 3.93Å; H125-F128 PolarHBondContact O-N 2.91Å; P126-F128 VanDerWaalsContact C-N 3.34Å; P126-F128 PolarHBondContact O-N 3.16Å; F128-I131 PolarHBondContact O-N 3.33Å; F128-K132 VanDerWaalsContact O-CG 3.31Å; F128-K132 WeakPolarHBondContact O-CG 3.38Å; F128-K132 PolarHBondContact O-N 3.02Å; F128-D154 HydrophobicContact CE2-CB 4.07Å; F128-D154 HydrophobicContact CZ-CB 4.12Å; F128-P160 HydrophobicContact CE1-CG 4.15Å; F128-W163 AromaticContact CD1-CD1 3.6Å; F128-W163 AromaticContact CD1-CD2 3.85Å; F128-W163 HydrophobicContact CD1-CD2 3.85Å; F128-W163 AromaticContact CD1-CE2 3.73Å; F128-W163 AromaticContact CD1-CG 3.79Å; F128-W163 HydrophobicContact CD1-CG 3.79Å; F128-W163 HydrophobicContact CD1-CZ2 4.47Å; F128-W163 AromaticContact CD1-NE1 3.51Å; F128-W163 AromaticContact CE1-CD1 3.57Å; F128-W163 HydrophobicContact CE1-CG 4.18Å; F128-W163 AromaticContact CE1-NE1 3.58Å
129	N	90.2	Very high	81.9	Confident	60 Å²	60	52.8 Å²	52.8	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-65.7	-38.5	174.4	-73.3	-20.9	0	0	0	112.4	H125 P126 I131 K132 Q133	H125-N129 PolarHBondContact O-N 3.25Å; P126-N129 PolarHBondContact O-N 3.26Å; N129-I131 VanDerWaalsContact C-N 3.34Å; N129-K132 PolarHBondContact O-N 2.9Å; N129-Q133 WeakPolarHBondContact O-CG 3.36Å; N129-Q133 PolarHBondContact O-N 3.28Å; N129-Q133 VanDerWaalsContact O-N 3.16Å
130	I	92.8	Very high	84.3	Confident	25 Å²	25	50.9 Å²	50.9	13%	0.128	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-44.5	173.4	-70.1	166.9	0	0	0	110.8	P126 I127 Q133 N134 D135 L139 L142	P126-I130 WeakPolarHBondContact O-CG1 3.43Å; P126-I130 PolarHBondContact O-N 3.18Å; I127-I130 PolarHBondContact O-N 2.9Å; I130-Q133 PolarHBondContact O-N 3.06Å; I130-N134 PolarHBondContact O-N 3.32Å; I130-D135 HydrophobicContact CG2-CB 4.23Å; I130-D135 WeakPolarHBondContact CG2-O 3.47Å; I130-D135 PolarHBondContact O-N 3.47Å; I130-D135 VanDerWaalsContact O-N 3.09Å; I130-L139 HydrophobicContact CG2-CB 3.7Å; I130-L139 HydrophobicContact CG2-CD1 4.22Å; I130-L142 HydrophobicContact CD1-CB 4.11Å; I130-L142 HydrophobicContact CD1-CD2 3.69Å
131	I	91.6	Very high	86.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-42.3	178.6	-67.8	162.7	0	0	0	111.2	I127 F128 N129 Q133 N134 L139 P160 W163 A164 F169 L172 L176	I127-I131 HydrophobicContact CG1-CD1 4.11Å; I127-I131 WeakPolarHBondContact O-CG1 3.47Å; I127-I131 PolarHBondContact O-N 2.96Å; F128-I131 PolarHBondContact O-N 3.33Å; N129-I131 VanDerWaalsContact C-N 3.34Å; I131-Q133 PolarHBondContact O-N 3.44Å; I131-N134 PolarHBondContact O-N 2.93Å; I131-L139 HydrophobicContact CG1-CD1 4.49Å; I131-P160 HydrophobicContact CD1-CB 3.58Å; I131-P160 HydrophobicContact CD1-CG 4.48Å; I131-W163 HydrophobicContact CG2-CB 3.78Å; I131-A164 HydrophobicContact CG2-CB 4.31Å; I131-F169 VanDerWaalsContact O-CE2 3.26Å; I131-F169 WeakPolarHBondContact O-CE2 3.5Å; I131-L172 HydrophobicContact CB-CD1 4.32Å; I131-L172 HydrophobicContact CG1-CD1 4.08Å; I131-L172 HydrophobicContact CG2-CD1 4.21Å; I131-L176 HydrophobicContact CD1-CD1 4.39Å
132	K	87.3	Confident	88.7	Confident	59 Å²	59	52 Å²	52	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-52.8	-37.3	173.5	-76.7	172.6	-173	169.4	0	111.8	T123 F128 N129 W163	T123-K132 PolarHBondContact OG1-NZ 2.96Å; T123-K132 VanDerWaalsContact OG1-NZ 3.11Å; F128-K132 VanDerWaalsContact O-CG 3.31Å; F128-K132 WeakPolarHBondContact O-CG 3.38Å; F128-K132 PolarHBondContact O-N 3.02Å; N129-K132 PolarHBondContact O-N 2.9Å; K132-W163 HydrophobicContact CD-CH2 4.45Å; K132-W163 HydrophobicContact CD-CZ3 3.91Å; K132-W163 HydrophobicContact CG-CE3 4.03Å; K132-W163 HydrophobicContact CG-CH2 4.49Å; K132-W163 HydrophobicContact CG-CZ3 3.5Å
133	Q	89	Confident	90.6	Very high	144 Å²	144	45.3 Å²	45.3	67%	0.673	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-2	-179.4	-66.1	174.4	20.8	0	0	114.2	N129 I130 I131 D135	N129-Q133 WeakPolarHBondContact O-CG 3.36Å; N129-Q133 PolarHBondContact O-N 3.28Å; N129-Q133 VanDerWaalsContact O-N 3.16Å; I130-Q133 PolarHBondContact O-N 3.06Å; I131-Q133 PolarHBondContact O-N 3.44Å; Q133-D135 HydrophobicContact CB-CB 4.5Å; Q133-D135 PolarHBondContact O-N 3.33Å
134	N	92.3	Very high	92.2	Very high	77 Å²	77	48.9 Å²	48.9	41%	0.412	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	35.3	-171.7	-163.2	22.5	0	0	0	113.9	I130 I131 L136 F169	I130-N134 PolarHBondContact O-N 3.32Å; I131-N134 PolarHBondContact O-N 2.93Å; N134-L136 PolarHBondContact O-N 3.27Å; N134-F169 HydrophobicContact CB-CD1 4.41Å; N134-F169 HydrophobicContact CB-CD2 3.93Å; N134-F169 HydrophobicContact CB-CE1 4.1Å; N134-F169 HydrophobicContact CB-CE2 3.55Å; N134-F169 HydrophobicContact CB-CG 4.35Å; N134-F169 HydrophobicContact CB-CZ 3.66Å; N134-F169 WeakPolarHBondContact OD1-CD2 3.43Å; N134-F169 WeakPolarHBondContact OD1-CG 3.34Å
135	D	93.9	Very high	93.3	Very high	55 Å²	55	50 Å²	50	29%	0.294	30%	0.299	S	S	.	.			trans	-89.2	89.1	-175.9	-173.7	-9.9	0	0	0	111.5	I130 Q133 G137 S138 L139	I130-D135 HydrophobicContact CG2-CB 4.23Å; I130-D135 WeakPolarHBondContact CG2-O 3.47Å; I130-D135 PolarHBondContact O-N 3.47Å; I130-D135 VanDerWaalsContact O-N 3.09Å; Q133-D135 HydrophobicContact CB-CB 4.5Å; Q133-D135 PolarHBondContact O-N 3.33Å; D135-G137 VanDerWaalsContact C-N 3.26Å; D135-G137 PolarHBondContact O-N 2.93Å; D135-G137 WeakPolarHBondContact OD1-CA 3.44Å; D135-G137 PolarHBondContact OD1-N 2.91Å; D135-S138 VanDerWaalsContact CG-CB 3.43Å; D135-S138 VanDerWaalsContact CG-OG 3.27Å; D135-S138 PolarHBondContact OD1-N 3.18Å; D135-S138 WeakPolarHBondContact OD2-CB 3.37Å; D135-S138 PolarHBondContact OD2-OG 3.05Å; D135-L139 WeakPolarHBondContact O-CB 3.14Å; D135-L139 PolarHBondContact O-N 3.41Å
136	L	96.1	Very high	93.7	Very high	57 Å²	57	49.7 Å²	49.7	30%	0.298	30%	0.3	S	S	.	.	H	α-helix	trans	-60.9	-33.2	176.6	179.7	63.4	0	0	0	112.9	N134 N140 D171 L172 T175	N134-L136 PolarHBondContact O-N 3.27Å; L136-N140 PolarHBondContact O-N 2.99Å; L136-N140 VanDerWaalsContact O-N 3.09Å; L136-N140 PolarHBondContact O-ND2 3.16Å; L136-D171 HydrophobicContact CD2-CB 4.15Å; L136-L172 HydrophobicContact CB-CD2 3.74Å; L136-L172 HydrophobicContact CD1-CD2 3.7Å; L136-L172 HydrophobicContact CG-CD2 4.32Å; L136-T175 HydrophobicContact CD1-CG2 4.39Å; L136-T175 VanDerWaalsContact CD1-OG1 3.26Å; L136-T175 WeakPolarHBondContact CD1-OG1 3.46Å
137	G	96.8	Very high	93.9	Very high	42 Å²	42	49.1 Å²	49.1	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-66.9	-53.8	-179.5	0	0	0	0	0	110.9	D135 L139 N140 C141	D135-G137 VanDerWaalsContact C-N 3.26Å; D135-G137 PolarHBondContact O-N 2.93Å; D135-G137 WeakPolarHBondContact OD1-CA 3.44Å; D135-G137 PolarHBondContact OD1-N 2.91Å; G137-L139 VanDerWaalsContact C-N 3.3Å; G137-L139 PolarHBondContact O-N 3.16Å; G137-N140 PolarHBondContact O-N 3.39Å; G137-C141 PolarHBondContact O-N 3.49Å
138	S	95.9	Very high	93.9	Very high	49 Å²	49	54.3 Å²	54.3	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-34.8	177	-65.5	0	0	0	0	112.3	D135 C141 L142	D135-S138 VanDerWaalsContact CG-CB 3.43Å; D135-S138 VanDerWaalsContact CG-OG 3.27Å; D135-S138 PolarHBondContact OD1-N 3.18Å; D135-S138 WeakPolarHBondContact OD2-CB 3.37Å; D135-S138 PolarHBondContact OD2-OG 3.05Å; S138-C141 PolarHBondContact O-N 3.38Å; S138-L142 WeakPolarHBondContact O-CB 3.26Å; S138-L142 PolarHBondContact O-N 3.5Å
139	L	97.2	Very high	93.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-47.1	174.9	-173.5	67.1	0	0	0	111.2	I127 I130 I131 D135 G137 C141 L142 L143 L172 T175 L176	I127-L139 HydrophobicContact CD1-CD1 4.01Å; I127-L139 HydrophobicContact CG1-CD1 3.83Å; I130-L139 HydrophobicContact CG2-CB 3.7Å; I130-L139 HydrophobicContact CG2-CD1 4.22Å; I131-L139 HydrophobicContact CG1-CD1 4.49Å; D135-L139 WeakPolarHBondContact O-CB 3.14Å; D135-L139 PolarHBondContact O-N 3.41Å; G137-L139 VanDerWaalsContact C-N 3.3Å; G137-L139 PolarHBondContact O-N 3.16Å; L139-C141 PolarHBondContact O-N 2.91Å; L139-L142 PolarHBondContact O-N 3.09Å; L139-L143 HydrophobicContact CD1-CD1 3.95Å; L139-L143 HydrophobicContact CD1-CG 4.19Å; L139-L143 HydrophobicContact CD2-CD1 4.38Å; L139-L143 HydrophobicContact CG-CD1 3.82Å; L139-L143 HydrophobicContact CG-CG 4.35Å; L139-L143 WeakPolarHBondContact O-CB 2.96Å; L139-L143 VanDerWaalsContact O-CG 3.32Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 2.94Å; L139-L172 HydrophobicContact CD2-CB 4.13Å; L139-L172 HydrophobicContact CD2-CD1 4.48Å; L139-L172 HydrophobicContact CD2-CD2 3.8Å; L139-L172 HydrophobicContact CD2-CG 4.34Å; L139-T175 HydrophobicContact CD2-CG2 4.17Å; L139-L176 HydrophobicContact CD1-CD2 4.29Å; L139-L176 HydrophobicContact CD2-CD2 4.27Å; L139-L176 HydrophobicContact CD2-CG 4.2Å
140	N	97.1	Very high	94.2	Very high	42 Å²	42	52.9 Å²	52.9	23%	0.225	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-41.8	176.9	-78.8	-58.5	0	0	0	112	L136 G137 S144 T175 R178	L136-N140 PolarHBondContact O-N 2.99Å; L136-N140 VanDerWaalsContact O-N 3.09Å; L136-N140 PolarHBondContact O-ND2 3.16Å; G137-N140 PolarHBondContact O-N 3.39Å; N140-S144 VanDerWaalsContact O-CB 3.22Å; N140-S144 WeakPolarHBondContact O-CB 3.02Å; N140-S144 PolarHBondContact O-N 3.45Å; N140-S144 PolarHBondContact O-OG 3.4Å; N140-T175 VanDerWaalsContact OD1-CG2 3.31Å; N140-T175 WeakPolarHBondContact OD1-CG2 3.07Å; N140-R178 PolarHBondContact OD1-NH2 3.35Å
141	C	96.1	Very high	94.2	Very high	87 Å²	87	56.6 Å²	56.6	59%	0.588	33%	0.334	S	S	*	.	H	α-helix	trans	-60.7	-45	175.1	-73.1	0	0	0	0	111.9	G137 S138 L139 S144 A145	G137-C141 PolarHBondContact O-N 3.49Å; S138-C141 PolarHBondContact O-N 3.38Å; L139-C141 PolarHBondContact O-N 2.91Å; C141-S144 PolarHBondContact O-OG 2.78Å; C141-A145 WeakPolarHBondContact O-CB 3.43Å; C141-A145 PolarHBondContact O-N 2.83Å; C141-A145 VanDerWaalsContact O-N 3.16Å
142	L	95	Very high	94.4	Very high	38 Å²	38	57.5 Å²	57.5	20%	0.199	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-49.1	179.7	-178	63.1	0	0	0	111.7	P126 I127 I130 S138 L139 S144 A145 N146 E149	P126-L142 HydrophobicContact CB-CD2 4.41Å; I127-L142 HydrophobicContact CB-CD2 3.69Å; I127-L142 HydrophobicContact CD1-CD2 4.47Å; I127-L142 HydrophobicContact CG1-CD2 4.13Å; I130-L142 HydrophobicContact CD1-CB 4.11Å; I130-L142 HydrophobicContact CD1-CD2 3.69Å; S138-L142 WeakPolarHBondContact O-CB 3.26Å; S138-L142 PolarHBondContact O-N 3.5Å; L139-L142 PolarHBondContact O-N 3.09Å; L142-S144 PolarHBondContact O-N 3.02Å; L142-A145 PolarHBondContact O-N 3.29Å; L142-N146 PolarHBondContact O-N 3.17Å; L142-E149 HydrophobicContact CD1-CG 4.14Å; L142-E149 HydrophobicContact CD2-CB 4.45Å; L142-E149 HydrophobicContact CD2-CG 4.31Å; L142-E149 HydrophobicContact CG-CB 4.42Å; L142-E149 HydrophobicContact CG-CG 4.04Å
143	L	96.1	Very high	94.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-70.8	-29.8	-177.2	-65.5	177.9	0	0	0	113.2	I127 L139 N146 S147 E149 V150 T175 L176 Y179	I127-L143 HydrophobicContact CD1-CD2 3.88Å; L139-L143 HydrophobicContact CD1-CD1 3.95Å; L139-L143 HydrophobicContact CD1-CG 4.19Å; L139-L143 HydrophobicContact CD2-CD1 4.38Å; L139-L143 HydrophobicContact CG-CD1 3.82Å; L139-L143 HydrophobicContact CG-CG 4.35Å; L139-L143 WeakPolarHBondContact O-CB 2.96Å; L139-L143 VanDerWaalsContact O-CG 3.32Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 2.94Å; L143-N146 CarbonylContact O-C 3.6Å; L143-S147 VanDerWaalsContact O-CA 3.26Å; L143-S147 WeakPolarHBondContact O-CA 3.45Å; L143-S147 PolarHBondContact O-N 3.42Å; L143-S147 VanDerWaalsContact O-N 3.14Å; L143-E149 HydrophobicContact CD2-CB 4.02Å; L143-V150 HydrophobicContact CD2-CB 3.97Å; L143-T175 HydrophobicContact CD1-CG2 4.32Å; L143-L176 HydrophobicContact CD1-CD2 4.02Å; L143-Y179 HydrophobicContact CB-CD1 3.91Å; L143-Y179 HydrophobicContact CB-CD2 3.82Å; L143-Y179 HydrophobicContact CB-CE1 3.88Å; L143-Y179 HydrophobicContact CB-CE2 3.8Å; L143-Y179 HydrophobicContact CB-CG 3.88Å; L143-Y179 HydrophobicContact CD1-CD2 3.51Å; L143-Y179 HydrophobicContact CD1-CE2 4.07Å; L143-Y179 HydrophobicContact CD1-CG 3.91Å; L143-Y179 HydrophobicContact CG-CD2 4.3Å; L143-Y179 HydrophobicContact CG-CG 4.44Å
144	S	96.1	Very high	94.6	Very high	83 Å²	83	52.4 Å²	52.4	58%	0.58	32%	0.323	S	S	*	.	H	α-helix	trans	-71.9	-29.7	172.1	59.1	0	0	0	0	112.8	N140 C141 L142	N140-S144 VanDerWaalsContact O-CB 3.22Å; N140-S144 WeakPolarHBondContact O-CB 3.02Å; N140-S144 PolarHBondContact O-N 3.45Å; N140-S144 PolarHBondContact O-OG 3.4Å; C141-S144 PolarHBondContact O-OG 2.78Å; L142-S144 PolarHBondContact O-N 3.02Å
145	A	95.8	Very high	94.2	Very high	89 Å²	89	56.1 Å²	56.1	74%	0.736	34%	0.338	S	S	*	.	H	α-helix	trans	-79.5	-40.9	174.4	0	0	0	0	0	112.5	C141 L142	C141-A145 WeakPolarHBondContact O-CB 3.43Å; C141-A145 PolarHBondContact O-N 2.83Å; C141-A145 VanDerWaalsContact O-N 3.16Å; L142-A145 PolarHBondContact O-N 3.29Å
146	N	93.7	Very high	93.7	Very high	61 Å²	61	56.1 Å²	56.1	33%	0.326	34%	0.338	S	S	.	.			trans	-143.4	95.4	177.8	-176.5	15.5	0	0	0	110.3	L142 L143 N148 E149	L142-N146 PolarHBondContact O-N 3.17Å; L143-N146 CarbonylContact O-C 3.6Å; N146-N148 PolarHBondContact O-N 3.28Å; N146-N148 WeakPolarHBondContact OD1-CB 3.41Å; N146-N148 PolarHBondContact OD1-N 2.87Å; N146-E149 HydrophobicContact CB-CG 3.91Å; N146-E149 PolarHBondContact ND2-OE1 2.79Å; N146-E149 VanDerWaalsContact ND2-OE1 3.07Å; N146-E149 WeakPolarHBondContact O-CB 3.37Å; N146-E149 VanDerWaalsContact O-CG 3.29Å; N146-E149 WeakPolarHBondContact O-CG 3.48Å; N146-E149 PolarHBondContact O-N 3.05Å
147	S	93.3	Very high	93.5	Very high	62 Å²	62	54.5 Å²	54.5	43%	0.434	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64.3	-22.1	-179.9	60.2	0	0	0	0	113.1	L143 E149 V150	L143-S147 VanDerWaalsContact O-CA 3.26Å; L143-S147 WeakPolarHBondContact O-CA 3.45Å; L143-S147 PolarHBondContact O-N 3.42Å; L143-S147 VanDerWaalsContact O-N 3.14Å; S147-E149 PolarHBondContact O-N 3.44Å; S147-V150 WeakPolarHBondContact O-CB 3.42Å; S147-V150 WeakPolarHBondContact O-CG1 3.46Å; S147-V150 PolarHBondContact O-N 3.34Å
148	N	93.3	Very high	93.2	Very high	109 Å²	109	53 Å²	53	58%	0.583	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-67.3	-20	-179.1	-62.1	-40.9	0	0	0	113	N146 V150 H151	N146-N148 PolarHBondContact O-N 3.28Å; N146-N148 WeakPolarHBondContact OD1-CB 3.41Å; N146-N148 PolarHBondContact OD1-N 2.87Å; N148-V150 PolarHBondContact O-N 3.18Å; N148-V150 VanDerWaalsContact O-N 3.14Å; N148-H151 PolarHBondContact O-N 3.23Å
149	E	92.8	Very high	93.2	Very high	29 Å²	29	51.3 Å²	51.3	14%	0.136	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.9	-26.8	174.9	-65.8	-73.4	135.8	0	0	112.3	H125 I127 L142 L143 N146 S147 H151 S152	H125-E149 IonicContact CE1-OE1 3.66Å; H125-E149 IonicContact CE1-OE2 2.9Å; H125-E149 PolarHBondContact CE1-OE2 3.03Å; H125-E149 IonicContact ND1-OE2 3.24Å; H125-E149 PolarHBondContact ND1-OE2 3.41Å; I127-E149 HydrophobicContact CD1-CB 3.95Å; I127-E149 WeakPolarHBondContact CD1-O 3.33Å; L142-E149 HydrophobicContact CD1-CG 4.14Å; L142-E149 HydrophobicContact CD2-CB 4.45Å; L142-E149 HydrophobicContact CD2-CG 4.31Å; L142-E149 HydrophobicContact CG-CB 4.42Å; L142-E149 HydrophobicContact CG-CG 4.04Å; L143-E149 HydrophobicContact CD2-CB 4.02Å; N146-E149 HydrophobicContact CB-CG 3.91Å; N146-E149 PolarHBondContact ND2-OE1 2.79Å; N146-E149 VanDerWaalsContact ND2-OE1 3.07Å; N146-E149 WeakPolarHBondContact O-CB 3.37Å; N146-E149 VanDerWaalsContact O-CG 3.29Å; N146-E149 WeakPolarHBondContact O-CG 3.48Å; N146-E149 PolarHBondContact O-N 3.05Å; S147-E149 PolarHBondContact O-N 3.44Å; E149-H151 PolarHBondContact O-N 2.98Å; E149-H151 VanDerWaalsContact O-N 3.12Å; E149-S152 WeakPolarHBondContact O-CB 3.37Å; E149-S152 PolarHBondContact O-N 2.89Å; E149-S152 VanDerWaalsContact O-N 3.07Å; E149-S152 PolarHBondContact O-OG 3.48Å
150	V	95.1	Very high	93.1	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-59.7	-23.5	177.3	79.8	0	0	0	0	113	L143 S147 N148 L176 Y179 A181	L143-V150 HydrophobicContact CD2-CB 3.97Å; S147-V150 WeakPolarHBondContact O-CB 3.42Å; S147-V150 WeakPolarHBondContact O-CG1 3.46Å; S147-V150 PolarHBondContact O-N 3.34Å; N148-V150 PolarHBondContact O-N 3.18Å; N148-V150 VanDerWaalsContact O-N 3.14Å; V150-L176 HydrophobicContact CG2-CB 4.42Å; V150-L176 HydrophobicContact CG2-CD2 3.9Å; V150-Y179 WeakPolarHBondContact CG1-O 3.25Å; V150-A181 HydrophobicContact CG2-CB 3.6Å
151	H	94.7	Very high	93.1	Very high	102 Å²	102	49.3 Å²	49.3	47%	0.472	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-101	3.9	-179.1	-57.9	-56.9	0	0	0	113.4	N148 E149 N180	N148-H151 PolarHBondContact O-N 3.23Å; E149-H151 PolarHBondContact O-N 2.98Å; E149-H151 VanDerWaalsContact O-N 3.12Å; H151-N180 PolarHBondContact CE1-O 3.17Å; H151-N180 VanDerWaalsContact CE1-O 3.23Å
152	S	93.9	Very high	93	Very high	19 Å²	19	45.2 Å²	45.2	13%	0.133	27%	0.266	C	S	.	.			trans	-58.8	152.5	174.6	-64	0	0	0	0	110.7	H125 E149 T159 P160	H125-S152 PolarHBondContact NE2-OG 3.45Å; E149-S152 WeakPolarHBondContact O-CB 3.37Å; E149-S152 PolarHBondContact O-N 2.89Å; E149-S152 VanDerWaalsContact O-N 3.07Å; E149-S152 PolarHBondContact O-OG 3.48Å; S152-T159 WeakPolarHBondContact O-CA 3.36Å; S152-P160 WeakPolarHBondContact O-CD 3.13Å
153	T	92.8	Very high	92.9	Very high	82 Å²	82	43.6 Å²	43.6	50%	0.503	26%	0.257	S	S	.	.			trans	-130.4	147.1	176.1	58.9	0	0	0	0	109.5	M158 T159	T153-M158 VanDerWaalsContact CA-O 3.32Å; T153-M158 WeakPolarHBondContact CA-O 3.47Å; T153-T159 HydrophobicContact CG2-CG2 4.11Å
154	D	87.9	Confident	92.8	Very high	15 Å²	15	43.6 Å²	43.6	8%	0.08	26%	0.257	C	S	.	.			trans	-82.6	-172.7	167.4	68.5	15.3	0	0	0	112.1	T123 F128 N156 G157 M158 W163	T123-D154 HydrophobicContact CG2-CB 3.43Å; T123-D154 VanDerWaalsContact CG2-CB 3.43Å; F128-D154 HydrophobicContact CE2-CB 4.07Å; F128-D154 HydrophobicContact CZ-CB 4.12Å; D154-N156 PolarHBondContact O-N 2.99Å; D154-N156 WeakPolarHBondContact OD1-CA 3.09Å; D154-N156 WeakPolarHBondContact OD1-CB 3.3Å; D154-N156 PolarHBondContact OD1-N 3.03Å; D154-G157 PolarHBondContact O-N 3.09Å; D154-G157 PolarHBondContact OD1-N 3.27Å; D154-G157 VanDerWaalsContact OD1-N 3.16Å; D154-M158 PolarHBondContact N-O 2.87Å; D154-M158 WeakPolarHBondContact OD1-CB 3.39Å; D154-M158 PolarHBondContact OD1-N 3.26Å; D154-M158 WeakPolarHBondContact OD2-CB 3.19Å; D154-M158 WeakPolarHBondContact OD2-CE 3.24Å; D154-W163 WeakPolarHBondContact OD2-CZ2 3.38Å; D154-W163 PolarHBondContact OD2-NE1 3.35Å
155	E	85.4	Confident	92.6	Very high	155 Å²	155	39.6 Å²	39.6	72%	0.724	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.2	-179.9	-60.1	-177	159.8	0	0	113.5	S121 G157	S121-E155 WeakPolarHBondContact CB-OE2 3.49Å; E155-G157 VanDerWaalsContact C-N 3.33Å
156	N	83.7	Confident	92.1	Very high	55 Å²	55	36.3 Å²	36.3	29%	0.294	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.3	176.9	-60.4	-43.6	0	0	0	111.8	D154 M158 A188	D154-N156 PolarHBondContact O-N 2.99Å; D154-N156 WeakPolarHBondContact OD1-CA 3.09Å; D154-N156 WeakPolarHBondContact OD1-CB 3.3Å; D154-N156 PolarHBondContact OD1-N 3.03Å; N156-M158 HydrophobicContact CB-CG 4.23Å; N156-M158 PolarHBondContact O-N 3.43Å; N156-A188 WeakPolarHBondContact O-CB 3.44Å; N156-A188 PolarHBondContact O-N 2.84Å
157	G	90	Very high	91.7	Very high	22 Å²	22	35.3 Å²	35.3	23%	0.227	19%	0.191	C	C	.	.			trans	75.4	8	-174.7	0	0	0	0	0	113.7	D154 E155 T159	D154-G157 PolarHBondContact O-N 3.09Å; D154-G157 PolarHBondContact OD1-N 3.27Å; D154-G157 VanDerWaalsContact OD1-N 3.16Å; E155-G157 VanDerWaalsContact C-N 3.33Å; G157-T159 PolarHBondContact O-N 3.28Å
158	M	91.8	Very high	91.3	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.049	18%	0.18	C	C	.	.			trans	-73.4	130.3	178.6	-62.5	-168.7	-62.2	0	0	110.1	T153 D154 N156 H162 W163 D187 Y196	T153-M158 VanDerWaalsContact CA-O 3.32Å; T153-M158 WeakPolarHBondContact CA-O 3.47Å; D154-M158 PolarHBondContact N-O 2.87Å; D154-M158 WeakPolarHBondContact OD1-CB 3.39Å; D154-M158 PolarHBondContact OD1-N 3.26Å; D154-M158 WeakPolarHBondContact OD2-CB 3.19Å; D154-M158 WeakPolarHBondContact OD2-CE 3.24Å; N156-M158 HydrophobicContact CB-CG 4.23Å; N156-M158 PolarHBondContact O-N 3.43Å; M158-H162 HydrophobicContact CB-CB 3.91Å; M158-H162 HydrophobicContact CG-CB 4.32Å; M158-W163 HydrophobicContact CE-CZ2 4.16Å; M158-D187 HydrophobicContact CG-CB 4.01Å; M158-Y196 HydrophobicContact SD-CE1 4.05Å; M158-Y196 HydrophobicContact SD-CE2 4.49Å; M158-Y196 PolarHBondContact SD-OH 2.85Å
159	T	95.3	Very high	91.3	Very high	15 Å²	15	30.4 Å²	30.4	9%	0.092	16%	0.162	C	C	.	.			trans	-83.1	163.8	174.4	69.5	0	0	0	0	111.4	S152 T153 G157 L161 H162 W163 A185	S152-T159 WeakPolarHBondContact O-CA 3.36Å; T153-T159 HydrophobicContact CG2-CG2 4.11Å; G157-T159 PolarHBondContact O-N 3.28Å; T159-L161 PolarHBondContact O-N 3.48Å; T159-L161 PolarHBondContact OG1-N 3.5Å; T159-H162 PolarHBondContact N-ND1 2.85Å; T159-H162 VanDerWaalsContact N-ND1 3.11Å; T159-H162 WeakPolarHBondContact O-CB 3.31Å; T159-H162 PolarHBondContact O-N 3.13Å; T159-H162 PolarHBondContact OG1-N 3.01Å; T159-H162 PolarHBondContact OG1-ND1 3.49Å; T159-W163 PolarHBondContact O-N 3.2Å; T159-A185 HydrophobicContact CG2-CB 3.77Å
160	P	95.7	Very high	91.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-43.6	-38	166.8	-36.3	37.1	0	0	0	114.1	I127 F128 I131 S152 W163 A164 L176	I127-P160 HydrophobicContact CD1-CB 4Å; I127-P160 HydrophobicContact CD1-CG 3.6Å; I127-P160 HydrophobicContact CG1-CB 4.34Å; I127-P160 HydrophobicContact CG1-CG 4.05Å; I127-P160 HydrophobicContact CG2-CG 4.04Å; F128-P160 HydrophobicContact CE1-CG 4.15Å; I131-P160 HydrophobicContact CD1-CB 3.58Å; I131-P160 HydrophobicContact CD1-CG 4.48Å; S152-P160 WeakPolarHBondContact O-CD 3.13Å; P160-W163 PolarHBondContact O-N 2.85Å; P160-A164 WeakPolarHBondContact O-CB 3.19Å; P160-A164 PolarHBondContact O-N 3.28Å; P160-L176 HydrophobicContact CB-CD1 3.99Å; P160-L176 HydrophobicContact CB-CD2 3.67Å; P160-L176 HydrophobicContact CB-CG 4.5Å; P160-L176 WeakPolarHBondContact O-CD1 3.3Å
161	L	97.7	Very high	91.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.6	-37.8	180	-169.7	60.2	0	0	0	112.1	T159 A164 S165 V173 L176 I177 A181 I183 P193 L209	T159-L161 PolarHBondContact O-N 3.48Å; T159-L161 PolarHBondContact OG1-N 3.5Å; L161-A164 PolarHBondContact O-N 2.96Å; L161-S165 VanDerWaalsContact O-CB 3.24Å; L161-S165 WeakPolarHBondContact O-CB 3.31Å; L161-S165 PolarHBondContact O-N 3.13Å; L161-S165 PolarHBondContact O-OG 3.29Å; L161-V173 HydrophobicContact CD1-CB 4.28Å; L161-V173 HydrophobicContact CD1-CG1 3.9Å; L161-V173 HydrophobicContact CD1-CG2 4.31Å; L161-L176 HydrophobicContact CB-CD1 4.46Å; L161-L176 HydrophobicContact CD1-CB 4.11Å; L161-L176 HydrophobicContact CD1-CD1 4.28Å; L161-I177 HydrophobicContact CD1-CG1 4.19Å; L161-I177 HydrophobicContact CD2-CG1 4.37Å; L161-A181 HydrophobicContact CB-CB 4.28Å; L161-A181 HydrophobicContact CD2-CB 3.96Å; L161-I183 HydrophobicContact CD2-CG1 4.46Å; L161-P193 HydrophobicContact CB-CG 4.08Å; L161-P193 HydrophobicContact CD2-CB 4.22Å; L161-P193 HydrophobicContact CD2-CG 3.86Å; L161-P193 HydrophobicContact CG-CB 3.84Å; L161-P193 HydrophobicContact CG-CG 3.74Å; L161-L209 HydrophobicContact CD1-CD2 4.42Å; L161-L209 HydrophobicContact CD2-CD2 4.29Å
162	H	94	Very high	91.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-48.1	172.2	-67.9	86.6	0	0	0	111	M158 T159 A164 S165 D166 A185 Q191 P193 Y196	M158-H162 HydrophobicContact CB-CB 3.91Å; M158-H162 HydrophobicContact CG-CB 4.32Å; T159-H162 PolarHBondContact N-ND1 2.85Å; T159-H162 VanDerWaalsContact N-ND1 3.11Å; T159-H162 WeakPolarHBondContact O-CB 3.31Å; T159-H162 PolarHBondContact O-N 3.13Å; T159-H162 PolarHBondContact OG1-N 3.01Å; T159-H162 PolarHBondContact OG1-ND1 3.49Å; H162-A164 PolarHBondContact O-N 3.49Å; H162-S165 PolarHBondContact O-N 3.17Å; H162-D166 WeakPolarHBondContact O-CB 3.44Å; H162-D166 PolarHBondContact O-N 3.18Å; H162-A185 PolarHBondContact CE1-O 3.2Å; H162-A185 PolarHBondContact NE2-O 3.08Å; H162-Q191 PolarHBondContact NE2-O 3.2Å; H162-P193 WeakPolarHBondContact NE2-CD 3.32Å; H162-Y196 HydrophobicContact CB-CD2 4.47Å; H162-Y196 AromaticContact CD2-CD2 3.66Å; H162-Y196 AromaticContact CD2-CE2 3.62Å
163	W	91.3	Very high	91.9	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-44.9	180	-80	67.7	0	0	0	112.9	T123 F128 I131 K132 D154 M158 T159 P160 S165 R167	T123-W163 HydrophobicContact CG2-CH2 4.46Å; T123-W163 HydrophobicContact CG2-CZ2 3.9Å; F128-W163 AromaticContact CD1-CD1 3.6Å; F128-W163 AromaticContact CD1-CD2 3.85Å; F128-W163 HydrophobicContact CD1-CD2 3.85Å; F128-W163 AromaticContact CD1-CE2 3.73Å; F128-W163 AromaticContact CD1-CG 3.79Å; F128-W163 HydrophobicContact CD1-CG 3.79Å; F128-W163 HydrophobicContact CD1-CZ2 4.47Å; F128-W163 AromaticContact CD1-NE1 3.51Å; F128-W163 AromaticContact CE1-CD1 3.57Å; F128-W163 HydrophobicContact CE1-CG 4.18Å; F128-W163 AromaticContact CE1-NE1 3.58Å; I131-W163 HydrophobicContact CG2-CB 3.78Å; K132-W163 HydrophobicContact CD-CH2 4.45Å; K132-W163 HydrophobicContact CD-CZ3 3.91Å; K132-W163 HydrophobicContact CG-CE3 4.03Å; K132-W163 HydrophobicContact CG-CH2 4.49Å; K132-W163 HydrophobicContact CG-CZ3 3.5Å; D154-W163 WeakPolarHBondContact OD2-CZ2 3.38Å; D154-W163 PolarHBondContact OD2-NE1 3.35Å; M158-W163 HydrophobicContact CE-CZ2 4.16Å; T159-W163 PolarHBondContact O-N 3.2Å; P160-W163 PolarHBondContact O-N 2.85Å; W163-S165 VanDerWaalsContact C-N 3.33Å; W163-R167 VanDerWaalsContact CE3-NH1 3.27Å; W163-R167 WeakPolarHBondContact O-CB 3.38Å; W163-R167 WeakPolarHBondContact O-CG 3.38Å; W163-R167 PolarHBondContact O-N 2.91Å
164	A	94.4	Very high	92.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-35	178.2	0	0	0	0	0	111.7	I131 P160 L161 H162 G168 F169 L172 V173 L176	I131-A164 HydrophobicContact CG2-CB 4.31Å; P160-A164 WeakPolarHBondContact O-CB 3.19Å; P160-A164 PolarHBondContact O-N 3.28Å; L161-A164 PolarHBondContact O-N 2.96Å; H162-A164 PolarHBondContact O-N 3.49Å; A164-G168 PolarHBondContact O-N 3.49Å; A164-G168 VanDerWaalsContact O-N 3.14Å; A164-F169 PolarHBondContact O-N 3.04Å; A164-L172 HydrophobicContact CB-CB 4.01Å; A164-V173 HydrophobicContact CB-CG2 3.71Å; A164-L176 HydrophobicContact CB-CD1 3.82Å
165	S	91.5	Very high	92.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-71.9	-41.4	177.5	-70.6	0	0	0	0	113.5	L161 H162 W163 R167 G168 P193 H202	L161-S165 VanDerWaalsContact O-CB 3.24Å; L161-S165 WeakPolarHBondContact O-CB 3.31Å; L161-S165 PolarHBondContact O-N 3.13Å; L161-S165 PolarHBondContact O-OG 3.29Å; H162-S165 PolarHBondContact O-N 3.17Å; W163-S165 VanDerWaalsContact C-N 3.33Å; S165-R167 VanDerWaalsContact C-N 3.26Å; S165-R167 PolarHBondContact O-N 3.47Å; S165-G168 PolarHBondContact O-N 2.68Å; S165-P193 VanDerWaalsContact CB-O 3.26Å; S165-P193 WeakPolarHBondContact CB-O 3.4Å; S165-H202 PolarHBondContact O-CD2 3.14Å; S165-H202 VanDerWaalsContact O-CD2 3.23Å
166	D	85.7	Confident	93.2	Very high	20 Å²	20	20.3 Å²	20.3	11%	0.107	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-39	172.4	177.7	71.6	0	0	0	111.7	S117 H162 Y196 H202	S117-D166 PolarHBondContact OG-OD1 3.05Å; S117-D166 PolarHBondContact OG-OD2 3.01Å; S117-D166 VanDerWaalsContact OG-OD2 3.1Å; H162-D166 WeakPolarHBondContact O-CB 3.44Å; H162-D166 PolarHBondContact O-N 3.18Å; D166-Y196 HydrophobicContact CB-CD1 3.79Å; D166-Y196 HydrophobicContact CB-CG 4.36Å; D166-H202 PolarHBondContact O-CD2 2.8Å; D166-H202 PolarHBondContact O-NE2 2.84Å
167	R	84.6	Confident	93.9	Very high	40 Å²	40	19.2 Å²	19.2	15%	0.151	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.4	-179	-72.2	175.9	165.7	64	3.9	115.1	W163 S165 F169	W163-R167 VanDerWaalsContact CE3-NH1 3.27Å; W163-R167 WeakPolarHBondContact O-CB 3.38Å; W163-R167 WeakPolarHBondContact O-CG 3.38Å; W163-R167 PolarHBondContact O-N 2.91Å; S165-R167 VanDerWaalsContact C-N 3.26Å; S165-R167 PolarHBondContact O-N 3.47Å; R167-F169 VanDerWaalsContact C-N 3.3Å; R167-F169 HydrophobicContact CB-CD1 4.22Å; R167-F169 HydrophobicContact CB-CD2 3.71Å; R167-F169 HydrophobicContact CB-CE1 4.14Å; R167-F169 HydrophobicContact CB-CE2 3.63Å; R167-F169 HydrophobicContact CB-CG 4.01Å; R167-F169 HydrophobicContact CB-CZ 3.84Å; R167-F169 HydrophobicContact CG-CE2 4.16Å; R167-F169 HydrophobicContact CG-CZ 4.42Å; R167-F169 WeakPolarHBondContact O-CD1 3.26Å; R167-F169 PolarHBondContact O-N 2.8Å
168	G	85.6	Confident	94.2	Very high	19 Å²	19	25.7 Å²	25.7	20%	0.196	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	18	-179.6	0	0	0	0	0	114.5	A164 S165 S170 H202	A164-G168 PolarHBondContact O-N 3.49Å; A164-G168 VanDerWaalsContact O-N 3.14Å; S165-G168 PolarHBondContact O-N 2.68Å; G168-S170 PolarHBondContact O-N 2.93Å; G168-H202 VanDerWaalsContact CA-CD2 3.4Å; G168-H202 WeakPolarHBondContact CA-CD2 3.43Å; G168-H202 PolarHBondContact N-CD2 3.14Å; G168-H202 VanDerWaalsContact N-CD2 3.3Å; G168-H202 PolarHBondContact N-NE2 3.35Å
169	F	93.6	Very high	94.5	Very high	49 Å²	49	27.9 Å²	27.9	22%	0.215	14%	0.139	C	C	.	.			trans	-81.9	79	-176.1	-62	-24.6	0	0	0	111.6	I131 N134 A164 R167 D171 L172 V173	I131-F169 VanDerWaalsContact O-CE2 3.26Å; I131-F169 WeakPolarHBondContact O-CE2 3.5Å; N134-F169 HydrophobicContact CB-CD1 4.41Å; N134-F169 HydrophobicContact CB-CD2 3.93Å; N134-F169 HydrophobicContact CB-CE1 4.1Å; N134-F169 HydrophobicContact CB-CE2 3.55Å; N134-F169 HydrophobicContact CB-CG 4.35Å; N134-F169 HydrophobicContact CB-CZ 3.66Å; N134-F169 WeakPolarHBondContact OD1-CD2 3.43Å; N134-F169 WeakPolarHBondContact OD1-CG 3.34Å; A164-F169 PolarHBondContact O-N 3.04Å; R167-F169 VanDerWaalsContact C-N 3.3Å; R167-F169 HydrophobicContact CB-CD1 4.22Å; R167-F169 HydrophobicContact CB-CD2 3.71Å; R167-F169 HydrophobicContact CB-CE1 4.14Å; R167-F169 HydrophobicContact CB-CE2 3.63Å; R167-F169 HydrophobicContact CB-CG 4.01Å; R167-F169 HydrophobicContact CB-CZ 3.84Å; R167-F169 HydrophobicContact CG-CE2 4.16Å; R167-F169 HydrophobicContact CG-CZ 4.42Å; R167-F169 WeakPolarHBondContact O-CD1 3.26Å; R167-F169 PolarHBondContact O-N 2.8Å; F169-D171 VanDerWaalsContact C-N 3.29Å; F169-D171 PolarHBondContact O-N 2.88Å; F169-L172 HydrophobicContact CB-CB 4.04Å; F169-L172 HydrophobicContact CB-CD1 4.18Å; F169-L172 HydrophobicContact CB-CG 3.92Å; F169-L172 HydrophobicContact CD2-CD1 3.94Å; F169-L172 HydrophobicContact CG-CD1 4.48Å; F169-L172 PolarHBondContact O-N 2.99Å; F169-V173 WeakPolarHBondContact O-CG2 3.3Å; F169-V173 PolarHBondContact O-N 3.31Å
170	S	95.3	Very high	94.6	Very high	24 Å²	24	33.3 Å²	33.3	17%	0.168	17%	0.168	C	C	.	.	H	α-helix	trans	-54.8	-37.3	-175.2	55.8	0	0	0	0	114.2	G168 S174 E204	G168-S170 PolarHBondContact O-N 2.93Å; S170-S174 WeakPolarHBondContact O-CB 3.14Å; S170-S174 PolarHBondContact O-N 2.76Å; S170-S174 PolarHBondContact O-OG 3.38Å; S170-E204 PolarHBondContact OG-OE2 3.42Å
171	D	97.4	Very high	94.6	Very high	104 Å²	104	33.7 Å²	33.7	56%	0.556	17%	0.171	S	C	*	.	H	α-helix	trans	-66.7	-40.6	175.2	-72.6	-32.4	0	0	0	113	L136 F169 T175	L136-D171 HydrophobicContact CD2-CB 4.15Å; F169-D171 VanDerWaalsContact C-N 3.29Å; F169-D171 PolarHBondContact O-N 2.88Å; D171-T175 WeakPolarHBondContact O-CB 3.36Å; D171-T175 PolarHBondContact O-N 2.97Å; D171-T175 PolarHBondContact O-OG1 3.12Å
172	L	97.7	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.6	-43.4	176.6	-59.6	-160.8	0	0	0	110.5	I131 L136 L139 A164 F169 S174 T175 L176	I131-L172 HydrophobicContact CB-CD1 4.32Å; I131-L172 HydrophobicContact CG1-CD1 4.08Å; I131-L172 HydrophobicContact CG2-CD1 4.21Å; L136-L172 HydrophobicContact CB-CD2 3.74Å; L136-L172 HydrophobicContact CD1-CD2 3.7Å; L136-L172 HydrophobicContact CG-CD2 4.32Å; L139-L172 HydrophobicContact CD2-CB 4.13Å; L139-L172 HydrophobicContact CD2-CD1 4.48Å; L139-L172 HydrophobicContact CD2-CD2 3.8Å; L139-L172 HydrophobicContact CD2-CG 4.34Å; A164-L172 HydrophobicContact CB-CB 4.01Å; F169-L172 HydrophobicContact CB-CB 4.04Å; F169-L172 HydrophobicContact CB-CD1 4.18Å; F169-L172 HydrophobicContact CB-CG 3.92Å; F169-L172 HydrophobicContact CD2-CD1 3.94Å; F169-L172 HydrophobicContact CG-CD1 4.48Å; F169-L172 PolarHBondContact O-N 2.99Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 2.86Å; L172-T175 PolarHBondContact O-N 2.92Å; L172-T175 VanDerWaalsContact O-N 3.15Å; L172-L176 WeakPolarHBondContact O-CB 3.47Å; L172-L176 VanDerWaalsContact O-CG 3.24Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.08Å
173	V	98.2	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.6	-50.5	174.4	169.8	0	0	0	0	110.2	L161 A164 F169 T175 L176 I177 V205 V208 L209	L161-V173 HydrophobicContact CD1-CB 4.28Å; L161-V173 HydrophobicContact CD1-CG1 3.9Å; L161-V173 HydrophobicContact CD1-CG2 4.31Å; A164-V173 HydrophobicContact CB-CG2 3.71Å; F169-V173 WeakPolarHBondContact O-CG2 3.3Å; F169-V173 PolarHBondContact O-N 3.31Å; V173-T175 VanDerWaalsContact C-N 3.3Å; V173-T175 PolarHBondContact O-N 2.82Å; V173-L176 PolarHBondContact O-N 3.39Å; V173-I177 HydrophobicContact CG1-CD1 3.82Å; V173-I177 VanDerWaalsContact O-CG1 3.26Å; V173-I177 WeakPolarHBondContact O-CG1 3.16Å; V173-I177 PolarHBondContact O-N 3.05Å; V173-V205 HydrophobicContact CG1-CG1 4.32Å; V173-V205 HydrophobicContact CG2-CG1 3.96Å; V173-V205 HydrophobicContact CG2-CG2 4.09Å; V173-V208 HydrophobicContact CG1-CB 4.4Å; V173-V208 HydrophobicContact CG1-CG1 3.82Å; V173-L209 HydrophobicContact CG1-CD2 4.15Å; V173-L209 HydrophobicContact CG1-CG 4.3Å
174	S	98.2	Very high	95	Very high	52 Å²	52	42 Å²	42	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-59.9	-40.7	178.3	-60.2	0	0	0	0	112.2	S170 L172 R178	S170-S174 WeakPolarHBondContact O-CB 3.14Å; S170-S174 PolarHBondContact O-N 2.76Å; S170-S174 PolarHBondContact O-OG 3.38Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 2.86Å; S174-R178 WeakPolarHBondContact O-CB 3.16Å; S174-R178 PolarHBondContact O-N 2.78Å
175	T	97.8	Very high	95.1	Very high	12 Å²	12	42.4 Å²	42.4	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-46.4	178.1	-62.1	0	0	0	0	111.8	L136 L139 N140 L143 D171 L172 V173 I177 R178 Y179	L136-T175 HydrophobicContact CD1-CG2 4.39Å; L136-T175 VanDerWaalsContact CD1-OG1 3.26Å; L136-T175 WeakPolarHBondContact CD1-OG1 3.46Å; L139-T175 HydrophobicContact CD2-CG2 4.17Å; N140-T175 VanDerWaalsContact OD1-CG2 3.31Å; N140-T175 WeakPolarHBondContact OD1-CG2 3.07Å; L143-T175 HydrophobicContact CD1-CG2 4.32Å; D171-T175 WeakPolarHBondContact O-CB 3.36Å; D171-T175 PolarHBondContact O-N 2.97Å; D171-T175 PolarHBondContact O-OG1 3.12Å; L172-T175 PolarHBondContact O-N 2.92Å; L172-T175 VanDerWaalsContact O-N 3.15Å; V173-T175 VanDerWaalsContact C-N 3.3Å; V173-T175 PolarHBondContact O-N 2.82Å; T175-I177 VanDerWaalsContact C-N 3.33Å; T175-I177 PolarHBondContact O-N 3.15Å; T175-R178 WeakPolarHBondContact O-CB 3.29Å; T175-R178 PolarHBondContact O-N 3.01Å; T175-R178 VanDerWaalsContact O-N 3.14Å; T175-Y179 HydrophobicContact CG2-CD2 3.95Å; T175-Y179 HydrophobicContact CG2-CE2 3.98Å; T175-Y179 VanDerWaalsContact O-CD2 3.3Å; T175-Y179 WeakPolarHBondContact O-CD2 3.44Å; T175-Y179 PolarHBondContact O-N 3.45Å
176	L	98.2	Very high	95.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-43.4	178.1	-70.4	167.3	0	0	0	111.2	I127 I131 L139 L143 V150 P160 L161 A164 L172 V173 R178 Y179 N180 A181	I127-L176 HydrophobicContact CD1-CD2 4.48Å; I131-L176 HydrophobicContact CD1-CD1 4.39Å; L139-L176 HydrophobicContact CD1-CD2 4.29Å; L139-L176 HydrophobicContact CD2-CD2 4.27Å; L139-L176 HydrophobicContact CD2-CG 4.2Å; L143-L176 HydrophobicContact CD1-CD2 4.02Å; V150-L176 HydrophobicContact CG2-CB 4.42Å; V150-L176 HydrophobicContact CG2-CD2 3.9Å; P160-L176 HydrophobicContact CB-CD1 3.99Å; P160-L176 HydrophobicContact CB-CD2 3.67Å; P160-L176 HydrophobicContact CB-CG 4.5Å; P160-L176 WeakPolarHBondContact O-CD1 3.3Å; L161-L176 HydrophobicContact CB-CD1 4.46Å; L161-L176 HydrophobicContact CD1-CB 4.11Å; L161-L176 HydrophobicContact CD1-CD1 4.28Å; A164-L176 HydrophobicContact CB-CD1 3.82Å; L172-L176 WeakPolarHBondContact O-CB 3.47Å; L172-L176 VanDerWaalsContact O-CG 3.24Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.08Å; V173-L176 PolarHBondContact O-N 3.39Å; L176-R178 VanDerWaalsContact C-N 3.34Å; L176-R178 PolarHBondContact O-N 2.99Å; L176-Y179 CarbonylContact O-C 3.57Å; L176-Y179 PolarHBondContact O-N 2.76Å; L176-Y179 VanDerWaalsContact O-N 3.14Å; L176-N180 PolarHBondContact O-N 3.36Å; L176-A181 HydrophobicContact CB-CB 4.03Å; L176-A181 WeakPolarHBondContact O-CB 3.27Å; L176-A181 PolarHBondContact O-N 3.42Å
177	I	98	Very high	95.5	Very high	32 Å²	32	47.6 Å²	47.6	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-42.1	174.9	-67.4	167.8	0	0	0	111.1	L161 V173 T175 Y179 N180 I183 V208 L209	L161-I177 HydrophobicContact CD1-CG1 4.19Å; L161-I177 HydrophobicContact CD2-CG1 4.37Å; V173-I177 HydrophobicContact CG1-CD1 3.82Å; V173-I177 VanDerWaalsContact O-CG1 3.26Å; V173-I177 WeakPolarHBondContact O-CG1 3.16Å; V173-I177 PolarHBondContact O-N 3.05Å; T175-I177 VanDerWaalsContact C-N 3.33Å; T175-I177 PolarHBondContact O-N 3.15Å; I177-Y179 PolarHBondContact O-N 3.3Å; I177-N180 WeakPolarHBondContact O-CA 3.29Å; I177-N180 PolarHBondContact O-N 3.32Å; I177-I183 HydrophobicContact CG1-CG1 4.24Å; I177-I183 HydrophobicContact CG2-CD1 4.17Å; I177-V208 HydrophobicContact CD1-CG1 3.89Å; I177-L209 HydrophobicContact CD1-CD2 4.11Å
178	R	97.4	Very high	95.5	Very high	158 Å²	158	48.6 Å²	48.6	60%	0.596	26%	0.257	S	S	*	.	H	α-helix	trans	-59.7	-33.4	175.5	-174.9	-179.1	69.3	-174.7	-1.1	112.4	N140 S174 T175 L176 N180	N140-R178 PolarHBondContact OD1-NH2 3.35Å; S174-R178 WeakPolarHBondContact O-CB 3.16Å; S174-R178 PolarHBondContact O-N 2.78Å; T175-R178 WeakPolarHBondContact O-CB 3.29Å; T175-R178 PolarHBondContact O-N 3.01Å; T175-R178 VanDerWaalsContact O-N 3.14Å; L176-R178 VanDerWaalsContact C-N 3.34Å; L176-R178 PolarHBondContact O-N 2.99Å; R178-N180 PolarHBondContact O-N 3.37Å
179	Y	97.2	Very high	95.4	Very high	55 Å²	55	52.6 Å²	52.6	22%	0.216	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	23.1	173	-77	-80.8	0	0	0	113.2	L143 V150 T175 L176 I177 A181	L143-Y179 HydrophobicContact CB-CD1 3.91Å; L143-Y179 HydrophobicContact CB-CD2 3.82Å; L143-Y179 HydrophobicContact CB-CE1 3.88Å; L143-Y179 HydrophobicContact CB-CE2 3.8Å; L143-Y179 HydrophobicContact CB-CG 3.88Å; L143-Y179 HydrophobicContact CD1-CD2 3.51Å; L143-Y179 HydrophobicContact CD1-CE2 4.07Å; L143-Y179 HydrophobicContact CD1-CG 3.91Å; L143-Y179 HydrophobicContact CG-CD2 4.3Å; L143-Y179 HydrophobicContact CG-CG 4.44Å; V150-Y179 WeakPolarHBondContact CG1-O 3.25Å; T175-Y179 HydrophobicContact CG2-CD2 3.95Å; T175-Y179 HydrophobicContact CG2-CE2 3.98Å; T175-Y179 VanDerWaalsContact O-CD2 3.3Å; T175-Y179 WeakPolarHBondContact O-CD2 3.44Å; T175-Y179 PolarHBondContact O-N 3.45Å; L176-Y179 CarbonylContact O-C 3.57Å; L176-Y179 PolarHBondContact O-N 2.76Å; L176-Y179 VanDerWaalsContact O-N 3.14Å; I177-Y179 PolarHBondContact O-N 3.3Å; Y179-A181 PolarHBondContact O-N 3.38Å
180	N	96.3	Very high	95.2	Very high	130 Å²	130	50.5 Å²	50.5	70%	0.695	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	30.6	175	-59.2	99.3	0	0	0	115.1	H151 L176 I177 R178 N182	H151-N180 PolarHBondContact CE1-O 3.17Å; H151-N180 VanDerWaalsContact CE1-O 3.23Å; L176-N180 PolarHBondContact O-N 3.36Å; I177-N180 WeakPolarHBondContact O-CA 3.29Å; I177-N180 PolarHBondContact O-N 3.32Å; R178-N180 PolarHBondContact O-N 3.37Å; N180-N182 PolarHBondContact O-N 3.42Å
181	A	97.1	Very high	94.8	Very high	8 Å²	8	49.4 Å²	49.4	7%	0.066	26%	0.255	C	S	.	.			trans	-51.4	139	167.9	0	0	0	0	0	111.2	V150 L161 L176 Y179 I183	V150-A181 HydrophobicContact CG2-CB 3.6Å; L161-A181 HydrophobicContact CB-CB 4.28Å; L161-A181 HydrophobicContact CD2-CB 3.96Å; L176-A181 HydrophobicContact CB-CB 4.03Å; L176-A181 WeakPolarHBondContact O-CB 3.27Å; L176-A181 PolarHBondContact O-N 3.42Å; Y179-A181 PolarHBondContact O-N 3.38Å; A181-I183 PolarHBondContact O-N 2.87Å
182	N	97.2	Very high	94.7	Very high	90 Å²	90	44.5 Å²	44.5	48%	0.481	23%	0.229	S	C	.	.			trans	-71.9	105.6	173.7	179	7.2	0	0	0	109.7	N180 N184 A185	N180-N182 PolarHBondContact O-N 3.42Å; N182-N184 PolarHBondContact O-N 3.21Å; N182-N184 PolarHBondContact OD1-N 3.21Å; N182-N184 VanDerWaalsContact OD1-N 3.15Å; N182-A185 HydrophobicContact CB-CB 4.06Å; N182-A185 WeakPolarHBondContact O-CB 3.38Å; N182-A185 PolarHBondContact O-N 3.37Å; N182-A185 PolarHBondContact OD1-N 3.14Å
183	I	97.5	Very high	94.6	Very high	28 Å²	28	44.5 Å²	44.5	14%	0.144	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.4	-176	-59.8	173.3	0	0	0	112.1	L161 I177 A181 P193 L209 S212 A214	L161-I183 HydrophobicContact CD2-CG1 4.46Å; I177-I183 HydrophobicContact CG1-CG1 4.24Å; I177-I183 HydrophobicContact CG2-CD1 4.17Å; A181-I183 PolarHBondContact O-N 2.87Å; I183-P193 WeakPolarHBondContact O-CD 3.35Å; I183-L209 HydrophobicContact CG2-CD2 4.12Å; I183-S212 WeakPolarHBondContact CD1-O 3.16Å; I183-A214 HydrophobicContact CG2-CB 3.61Å
184	N	96.6	Very high	94.3	Very high	60 Å²	60	44.5 Å²	44.5	32%	0.321	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	26.1	-178.9	-61.3	-45.8	0	0	0	111.4	N182 A214 D215	N182-N184 PolarHBondContact O-N 3.21Å; N182-N184 PolarHBondContact OD1-N 3.21Å; N182-N184 VanDerWaalsContact OD1-N 3.15Å; N184-A214 WeakPolarHBondContact OD1-CA 3.31Å; N184-D215 PolarHBondContact OD1-N 3.42Å
185	A	96.4	Very high	93.6	Very high	9 Å²	9	42 Å²	42	7%	0.074	21%	0.212	C	C	.	.			trans	-55.5	143.1	170	0	0	0	0	0	109.5	T159 H162 N182 T192 P193	T159-A185 HydrophobicContact CG2-CB 3.77Å; H162-A185 PolarHBondContact CE1-O 3.2Å; H162-A185 PolarHBondContact NE2-O 3.08Å; N182-A185 HydrophobicContact CB-CB 4.06Å; N182-A185 WeakPolarHBondContact O-CB 3.38Å; N182-A185 PolarHBondContact O-N 3.37Å; N182-A185 PolarHBondContact OD1-N 3.14Å; A185-T192 VanDerWaalsContact O-CA 3.31Å; A185-T192 WeakPolarHBondContact O-CA 2.88Å; A185-P193 WeakPolarHBondContact O-CD 3.38Å
186	K	94.7	Very high	92.9	Very high	115 Å²	115	41.8 Å²	41.8	50%	0.5	21%	0.209	S	C	.	.			trans	-113.7	133.1	175.4	-69.1	-168.7	176.4	-157.4	0	109.6	G190 Q191 T192 K219	K186-G190 WeakPolarHBondContact CD-O 3.46Å; K186-Q191 VanDerWaalsContact CA-O 3.29Å; K186-Q191 WeakPolarHBondContact CA-O 3.24Å; K186-T192 HydrophobicContact CG-CG2 4.06Å; K186-K219 PolarHBondContact NZ-O 3.13Å
187	D	89.8	Confident	92.2	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.08	21%	0.209	C	C	.	.			trans	-80.1	-170.6	170.8	72.1	-0.2	0	0	0	111.8	M158 E189 G190 Q191 Y196	M158-D187 HydrophobicContact CG-CB 4.01Å; D187-E189 PolarHBondContact O-N 3.01Å; D187-E189 VanDerWaalsContact OD1-C 3.31Å; D187-E189 WeakPolarHBondContact OD1-CA 3.03Å; D187-E189 PolarHBondContact OD1-N 3.18Å; D187-G190 PolarHBondContact O-N 3.23Å; D187-G190 PolarHBondContact OD1-N 3.05Å; D187-Q191 PolarHBondContact N-O 3.06Å; D187-Q191 PolarHBondContact OD1-N 3.16Å; D187-Y196 WeakPolarHBondContact OD2-CE2 3.48Å; D187-Y196 PolarHBondContact OD2-OH 2.74Å
188	A	85.5	Confident	91.3	Very high	60 Å²	60	40.3 Å²	40.3	50%	0.496	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.2	177.7	0	0	0	0	0	113.6	N156 G190 N221	N156-A188 WeakPolarHBondContact O-CB 3.44Å; N156-A188 PolarHBondContact O-N 2.84Å; A188-G190 VanDerWaalsContact C-N 3.29Å; A188-N221 PolarHBondContact O-ND2 2.99Å
189	E	83.8	Confident	90.2	Very high	104 Å²	104	34 Å²	34	49%	0.486	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	5.9	177.6	-61	-53.6	134.7	0	0	112.6	D187 Q191 N221	D187-E189 PolarHBondContact O-N 3.01Å; D187-E189 VanDerWaalsContact OD1-C 3.31Å; D187-E189 WeakPolarHBondContact OD1-CA 3.03Å; D187-E189 PolarHBondContact OD1-N 3.18Å; E189-Q191 HydrophobicContact CB-CG 4.08Å; E189-Q191 PolarHBondContact O-N 3.03Å; E189-N221 WeakPolarHBondContact CA-ND2 3.33Å; E189-N221 VanDerWaalsContact O-CB 3.26Å; E189-N221 WeakPolarHBondContact O-CB 3.38Å; E189-N221 PolarHBondContact O-N 3.17Å; E189-N221 PolarHBondContact O-ND2 2.97Å
190	G	88.9	Confident	89.2	Confident	4 Å²	4	33.9 Å²	33.9	4%	0.041	19%	0.189	C	C	.	.	S	Bend	trans	73.4	7.6	-179	0	0	0	0	0	113.4	K186 D187 A188 D220 N221	K186-G190 WeakPolarHBondContact CD-O 3.46Å; D187-G190 PolarHBondContact O-N 3.23Å; D187-G190 PolarHBondContact OD1-N 3.05Å; A188-G190 VanDerWaalsContact C-N 3.29Å; G190-D220 WeakPolarHBondContact O-CA 3.08Å; G190-N221 WeakPolarHBondContact CA-OD1 3.15Å; G190-N221 PolarHBondContact N-ND2 2.99Å
191	Q	87.7	Confident	88.1	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.009	18%	0.176	C	C	.	.			trans	-80.8	145.8	-177.4	-63.7	-165	-38	0	0	110.6	R106 H162 K186 D187 E189 H195 Y196 D220	R106-Q191 VanDerWaalsContact NH1-NE2 3.15Å; R106-Q191 VanDerWaalsContact NH2-NE2 3.15Å; H162-Q191 PolarHBondContact NE2-O 3.2Å; K186-Q191 VanDerWaalsContact CA-O 3.29Å; K186-Q191 WeakPolarHBondContact CA-O 3.24Å; D187-Q191 PolarHBondContact N-O 3.06Å; D187-Q191 PolarHBondContact OD1-N 3.16Å; E189-Q191 HydrophobicContact CB-CG 4.08Å; E189-Q191 PolarHBondContact O-N 3.03Å; Q191-H195 HydrophobicContact CB-CB 3.98Å; Q191-H195 HydrophobicContact CG-CB 4.36Å; Q191-Y196 HydrophobicContact CB-CD2 4.29Å; Q191-Y196 HydrophobicContact CB-CE2 3.77Å; Q191-D220 HydrophobicContact CG-CB 3.67Å; Q191-D220 PolarHBondContact NE2-OD2 3.3Å
192	T	94.9	Very high	87.4	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.			trans	-104.2	164.5	177.7	68.2	0	0	0	0	110.3	A185 K186 L194 H195 Y196 A218	A185-T192 VanDerWaalsContact O-CA 3.31Å; A185-T192 WeakPolarHBondContact O-CA 2.88Å; K186-T192 HydrophobicContact CG-CG2 4.06Å; T192-L194 PolarHBondContact O-N 3.34Å; T192-L194 PolarHBondContact OG1-N 3.21Å; T192-H195 PolarHBondContact N-ND1 2.81Å; T192-H195 WeakPolarHBondContact O-CA 3.22Å; T192-H195 VanDerWaalsContact O-CB 3.32Å; T192-H195 WeakPolarHBondContact O-CB 3.19Å; T192-H195 PolarHBondContact O-N 3.31Å; T192-H195 PolarHBondContact OG1-N 3.17Å; T192-H195 PolarHBondContact OG1-ND1 3.49Å; T192-Y196 WeakPolarHBondContact O-CD2 3.43Å; T192-Y196 PolarHBondContact O-N 2.79Å; T192-A218 HydrophobicContact CG2-CB 3.88Å
193	P	95.4	Very high	86.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-52.6	-31.7	172.8	-27.2	35.3	0	0	0	113.3	L161 H162 S165 I183 A185 Y196 A197 L209	L161-P193 HydrophobicContact CB-CG 4.08Å; L161-P193 HydrophobicContact CD2-CB 4.22Å; L161-P193 HydrophobicContact CD2-CG 3.86Å; L161-P193 HydrophobicContact CG-CB 3.84Å; L161-P193 HydrophobicContact CG-CG 3.74Å; H162-P193 WeakPolarHBondContact NE2-CD 3.32Å; S165-P193 VanDerWaalsContact CB-O 3.26Å; S165-P193 WeakPolarHBondContact CB-O 3.4Å; I183-P193 WeakPolarHBondContact O-CD 3.35Å; A185-P193 WeakPolarHBondContact O-CD 3.38Å; P193-Y196 PolarHBondContact O-N 2.79Å; P193-A197 PolarHBondContact O-N 3.03Å; P193-L209 HydrophobicContact CB-CD1 4.24Å; P193-L209 HydrophobicContact CB-CD2 4.33Å
194	L	92.5	Very high	86.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-69.3	-36	174.8	-173.4	60.3	0	0	0	112.7	T192 Y196 A197 C198 I206 L209 L210 A214 I216 T226	T192-L194 PolarHBondContact O-N 3.34Å; T192-L194 PolarHBondContact OG1-N 3.21Å; L194-Y196 VanDerWaalsContact C-N 3.32Å; L194-Y196 PolarHBondContact O-N 2.79Å; L194-A197 PolarHBondContact O-N 2.96Å; L194-C198 VanDerWaalsContact O-CB 3.3Å; L194-C198 WeakPolarHBondContact O-CB 3.49Å; L194-C198 PolarHBondContact O-N 2.74Å; L194-C198 PolarHBondContact O-SG 2.93Å; L194-I206 HydrophobicContact CD1-CB 4.38Å; L194-I206 HydrophobicContact CD1-CG1 4.34Å; L194-I206 HydrophobicContact CD1-CG2 3.92Å; L194-L209 HydrophobicContact CB-CD1 4.2Å; L194-L209 HydrophobicContact CD1-CB 4.25Å; L194-L209 HydrophobicContact CD1-CD1 4.16Å; L194-L210 HydrophobicContact CD1-CD2 4.49Å; L194-L210 HydrophobicContact CD2-CD2 3.95Å; L194-A214 HydrophobicContact CB-CB 4.32Å; L194-A214 HydrophobicContact CD2-CB 3.91Å; L194-I216 HydrophobicContact CD2-CG2 4.18Å; L194-T226 HydrophobicContact CB-CG2 3.97Å; L194-T226 HydrophobicContact CD2-CG2 3.92Å; L194-T226 HydrophobicContact CG-CG2 3.9Å
195	H	83.7	Confident	86.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-45.7	172.5	-71.9	85.2	0	0	0	110.9	Q191 T192 C198 S199 A218 D220 N224 T226 L229	Q191-H195 HydrophobicContact CB-CB 3.98Å; Q191-H195 HydrophobicContact CG-CB 4.36Å; T192-H195 PolarHBondContact N-ND1 2.81Å; T192-H195 WeakPolarHBondContact O-CA 3.22Å; T192-H195 VanDerWaalsContact O-CB 3.32Å; T192-H195 WeakPolarHBondContact O-CB 3.19Å; T192-H195 PolarHBondContact O-N 3.31Å; T192-H195 PolarHBondContact OG1-N 3.17Å; T192-H195 PolarHBondContact OG1-ND1 3.49Å; H195-C198 PolarHBondContact O-N 3.13Å; H195-S199 WeakPolarHBondContact O-CB 3.39Å; H195-S199 PolarHBondContact O-N 3.37Å; H195-S199 PolarHBondContact O-OG 2.79Å; H195-A218 PolarHBondContact CE1-O 2.92Å; H195-A218 VanDerWaalsContact CE1-O 3.26Å; H195-A218 PolarHBondContact NE2-O 3.32Å; H195-D220 PolarHBondContact NE2-N 2.99Å; H195-N224 PolarHBondContact NE2-O 3.47Å; H195-T226 WeakPolarHBondContact CE1-CG2 3.42Å; H195-T226 WeakPolarHBondContact ND1-CG2 3.42Å; H195-L229 HydrophobicContact CB-CD1 3.95Å
196	Y	82.6	Confident	85.8	Confident	7 Å²	7	32.7 Å²	32.7	3%	0.027	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-51.7	177.8	-80	-89	0	0	0	111.7	M158 H162 D166 D187 Q191 T192 P193 L194 C198 S199 C200	M158-Y196 HydrophobicContact SD-CE1 4.05Å; M158-Y196 HydrophobicContact SD-CE2 4.49Å; M158-Y196 PolarHBondContact SD-OH 2.85Å; H162-Y196 HydrophobicContact CB-CD2 4.47Å; H162-Y196 AromaticContact CD2-CD2 3.66Å; H162-Y196 AromaticContact CD2-CE2 3.62Å; D166-Y196 HydrophobicContact CB-CD1 3.79Å; D166-Y196 HydrophobicContact CB-CG 4.36Å; D187-Y196 WeakPolarHBondContact OD2-CE2 3.48Å; D187-Y196 PolarHBondContact OD2-OH 2.74Å; Q191-Y196 HydrophobicContact CB-CD2 4.29Å; Q191-Y196 HydrophobicContact CB-CE2 3.77Å; T192-Y196 WeakPolarHBondContact O-CD2 3.43Å; T192-Y196 PolarHBondContact O-N 2.79Å; P193-Y196 PolarHBondContact O-N 2.79Å; L194-Y196 VanDerWaalsContact C-N 3.32Å; L194-Y196 PolarHBondContact O-N 2.79Å; Y196-C198 VanDerWaalsContact C-N 3.3Å; Y196-C198 PolarHBondContact O-N 3.32Å; Y196-S199 PolarHBondContact O-N 3.4Å; Y196-S199 PolarHBondContact O-OG 3.39Å; Y196-C200 PolarHBondContact O-N 2.69Å; Y196-C200 PolarHBondContact O-SG 3.44Å
197	A	83.9	Confident	85.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-42	178.9	0	0	0	0	0	112.4	P193 L194 G201 H202 V205 I206 L209	P193-A197 PolarHBondContact O-N 3.03Å; L194-A197 PolarHBondContact O-N 2.96Å; A197-G201 PolarHBondContact O-N 3.17Å; A197-H202 PolarHBondContact O-N 3.02Å; A197-V205 HydrophobicContact CB-CB 4.24Å; A197-V205 HydrophobicContact CB-CG1 3.58Å; A197-I206 HydrophobicContact CB-CG1 3.68Å; A197-L209 HydrophobicContact CB-CD1 4.07Å
198	C	78.6	Confident	85.9	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-49.6	174.6	-73.3	0	0	0	0	112.3	L194 H195 Y196 C200 G201 T226 L229	L194-C198 VanDerWaalsContact O-CB 3.3Å; L194-C198 WeakPolarHBondContact O-CB 3.49Å; L194-C198 PolarHBondContact O-N 2.74Å; L194-C198 PolarHBondContact O-SG 2.93Å; H195-C198 PolarHBondContact O-N 3.13Å; Y196-C198 VanDerWaalsContact C-N 3.3Å; Y196-C198 PolarHBondContact O-N 3.32Å; C198-C200 PolarHBondContact O-N 3.48Å; C198-G201 PolarHBondContact O-N 3.37Å; C198-G201 VanDerWaalsContact O-N 3.08Å; C198-T226 WeakPolarHBondContact CB-O 3.5Å; C198-T226 PolarHBondContact SG-O 3.02Å; C198-L229 CarbonylContact C-O 3.41Å; C198-L229 HydrophobicContact CB-CB 4.24Å
199	S	74.9	Confident	86.4	Confident	27 Å²	27	28.8 Å²	28.8	19%	0.189	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-29.3	-177.2	72	0	0	0	0	113.3	H195 Y196 L229	H195-S199 WeakPolarHBondContact O-CB 3.39Å; H195-S199 PolarHBondContact O-N 3.37Å; H195-S199 PolarHBondContact O-OG 2.79Å; Y196-S199 PolarHBondContact O-N 3.4Å; Y196-S199 PolarHBondContact O-OG 3.39Å; S199-L229 WeakPolarHBondContact CA-O 3.49Å
200	C	75.4	Confident	86.9	Confident	51 Å²	51	24 Å²	24	35%	0.345	14%	0.136	S	C	.	.	H	α-helix	trans	-94.4	-6.7	177.6	-60.5	0	0	0	0	113.5	Y196 C198 H202	Y196-C200 PolarHBondContact O-N 2.69Å; Y196-C200 PolarHBondContact O-SG 3.44Å; C198-C200 PolarHBondContact O-N 3.48Å; C200-H202 WeakPolarHBondContact CB-CD2 3.39Å; C200-H202 VanDerWaalsContact CB-NE2 3.34Å; C200-H202 WeakPolarHBondContact CB-NE2 3.34Å
201	G	74	Confident	87.1	Confident	41 Å²	41	29.6 Å²	29.6	42%	0.423	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	32.5	179.2	0	0	0	0	0	114.8	A197 C198 D203	A197-G201 PolarHBondContact O-N 3.17Å; C198-G201 PolarHBondContact O-N 3.37Å; C198-G201 VanDerWaalsContact O-N 3.08Å; G201-D203 PolarHBondContact O-N 2.83Å; G201-D203 VanDerWaalsContact O-N 3.16Å
202	H	81.9	Confident	87.4	Confident	57 Å²	57	31.2 Å²	31.2	26%	0.264	17%	0.171	S	C	.	.			trans	-87.7	75.8	-177.7	-65.3	-51.6	0	0	0	112.1	S165 D166 G168 A197 C200 E204 V205 I206	S165-H202 PolarHBondContact O-CD2 3.14Å; S165-H202 VanDerWaalsContact O-CD2 3.23Å; D166-H202 PolarHBondContact O-CD2 2.8Å; D166-H202 PolarHBondContact O-NE2 2.84Å; G168-H202 VanDerWaalsContact CA-CD2 3.4Å; G168-H202 WeakPolarHBondContact CA-CD2 3.43Å; G168-H202 PolarHBondContact N-CD2 3.14Å; G168-H202 VanDerWaalsContact N-CD2 3.3Å; G168-H202 PolarHBondContact N-NE2 3.35Å; A197-H202 PolarHBondContact O-N 3.02Å; C200-H202 WeakPolarHBondContact CB-CD2 3.39Å; C200-H202 VanDerWaalsContact CB-NE2 3.34Å; C200-H202 WeakPolarHBondContact CB-NE2 3.34Å; H202-E204 VanDerWaalsContact C-N 3.29Å; H202-E204 PolarHBondContact O-N 3.26Å; H202-E204 VanDerWaalsContact O-N 3.16Å; H202-V205 HydrophobicContact CB-CB 4Å; H202-V205 HydrophobicContact CB-CG2 4.22Å; H202-V205 WeakPolarHBondContact O-CB 3.47Å; H202-V205 PolarHBondContact O-N 3.11Å; H202-I206 WeakPolarHBondContact O-CG1 3.31Å; H202-I206 PolarHBondContact O-N 2.76Å
203	D	84.3	Confident	87.3	Confident	72 Å²	72	36.6 Å²	36.6	39%	0.385	20%	0.2	S	C	.	.	H	α-helix	trans	-50	-43.4	-173.7	-68.1	-0.4	0	0	0	114.1	G201 V205 I206 Q207 Y230	G201-D203 PolarHBondContact O-N 2.83Å; G201-D203 VanDerWaalsContact O-N 3.16Å; D203-V205 PolarHBondContact O-N 2.85Å; D203-I206 PolarHBondContact O-N 3.38Å; D203-Q207 WeakPolarHBondContact O-CG 3.27Å; D203-Q207 PolarHBondContact O-N 3.34Å; D203-Y230 VanDerWaalsContact OD1-CE2 3.32Å; D203-Y230 WeakPolarHBondContact OD1-CE2 3.27Å; D203-Y230 PolarHBondContact OD1-OH 3.04Å; D203-Y230 VanDerWaalsContact OD1-OH 3.04Å
204	E	89.5	Confident	87.2	Confident	130 Å²	130	37.1 Å²	37.1	61%	0.607	20%	0.204	S	C	*	.	H	α-helix	trans	-62.3	-44.2	178.8	-67.4	-173.2	178.6	0	0	112.1	S170 H202 Q207 V208	S170-E204 PolarHBondContact OG-OE2 3.42Å; H202-E204 VanDerWaalsContact C-N 3.29Å; H202-E204 PolarHBondContact O-N 3.26Å; H202-E204 VanDerWaalsContact O-N 3.16Å; E204-Q207 PolarHBondContact O-N 3.24Å; E204-V208 WeakPolarHBondContact O-CG2 3.4Å; E204-V208 PolarHBondContact O-N 3.44Å
205	V	90.5	Very high	87.1	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-44.1	176.6	169.1	0	0	0	0	110.5	V173 A197 H202 D203 Q207 V208 L209	V173-V205 HydrophobicContact CG1-CG1 4.32Å; V173-V205 HydrophobicContact CG2-CG1 3.96Å; V173-V205 HydrophobicContact CG2-CG2 4.09Å; A197-V205 HydrophobicContact CB-CB 4.24Å; A197-V205 HydrophobicContact CB-CG1 3.58Å; H202-V205 HydrophobicContact CB-CB 4Å; H202-V205 HydrophobicContact CB-CG2 4.22Å; H202-V205 WeakPolarHBondContact O-CB 3.47Å; H202-V205 PolarHBondContact O-N 3.11Å; D203-V205 PolarHBondContact O-N 2.85Å; V205-Q207 VanDerWaalsContact C-N 3.3Å; V205-Q207 PolarHBondContact O-N 3.21Å; V205-V208 PolarHBondContact O-N 2.84Å; V205-L209 HydrophobicContact CG1-CD1 3.8Å; V205-L209 HydrophobicContact CG1-CG 4.24Å; V205-L209 WeakPolarHBondContact O-CB 3.32Å; V205-L209 WeakPolarHBondContact O-CG 3.49Å; V205-L209 PolarHBondContact O-N 3.49Å
206	I	88.6	Confident	87.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.5	-48.2	176.8	-64.7	166.4	0	0	0	109.4	L194 A197 H202 D203 V208 L209 L210 Y230 L237 F238	L194-I206 HydrophobicContact CD1-CB 4.38Å; L194-I206 HydrophobicContact CD1-CG1 4.34Å; L194-I206 HydrophobicContact CD1-CG2 3.92Å; A197-I206 HydrophobicContact CB-CG1 3.68Å; H202-I206 WeakPolarHBondContact O-CG1 3.31Å; H202-I206 PolarHBondContact O-N 2.76Å; D203-I206 PolarHBondContact O-N 3.38Å; I206-V208 PolarHBondContact O-N 3.44Å; I206-L209 PolarHBondContact O-N 2.8Å; I206-L210 HydrophobicContact CG2-CD1 3.57Å; I206-L210 HydrophobicContact CG2-CG 4.01Å; I206-L210 WeakPolarHBondContact O-CB 2.96Å; I206-L210 WeakPolarHBondContact O-CG 3.44Å; I206-L210 PolarHBondContact O-N 3.4Å; I206-Y230 HydrophobicContact CD1-CD2 3.66Å; I206-Y230 HydrophobicContact CD1-CE2 3.64Å; I206-L237 HydrophobicContact CB-CD2 3.81Å; I206-L237 HydrophobicContact CD1-CD2 3.72Å; I206-L237 HydrophobicContact CG1-CD2 4.38Å; I206-L237 HydrophobicContact CG2-CD2 3.39Å; I206-L237 HydrophobicContact CG2-CG 3.89Å; I206-F238 HydrophobicContact CG2-CE1 4.35Å; I206-F238 HydrophobicContact CG2-CE2 4.37Å; I206-F238 HydrophobicContact CG2-CZ 3.85Å
207	Q	92.4	Very high	87.2	Confident	75 Å²	75	44.1 Å²	44.1	35%	0.35	24%	0.237	S	C	.	.	H	α-helix	trans	-59.6	-43.3	177.3	-71	-179.8	32.8	0	0	112.8	D203 E204 V205 L210 K211 L237	D203-Q207 WeakPolarHBondContact O-CG 3.27Å; D203-Q207 PolarHBondContact O-N 3.34Å; E204-Q207 PolarHBondContact O-N 3.24Å; V205-Q207 VanDerWaalsContact C-N 3.3Å; V205-Q207 PolarHBondContact O-N 3.21Å; Q207-L210 PolarHBondContact O-N 3.01Å; Q207-K211 VanDerWaalsContact O-CB 3.3Å; Q207-K211 WeakPolarHBondContact O-CB 3.15Å; Q207-K211 WeakPolarHBondContact O-CG 3.46Å; Q207-K211 PolarHBondContact O-N 3.39Å; Q207-L237 HydrophobicContact CG-CD1 3.47Å; Q207-L237 VanDerWaalsContact CG-CD1 3.47Å
208	V	95.6	Very high	87.3	Confident	32 Å²	32	44.3 Å²	44.3	19%	0.194	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-45.4	178.3	171.1	0	0	0	0	110.8	V173 I177 E204 V205 I206 S212	V173-V208 HydrophobicContact CG1-CB 4.4Å; V173-V208 HydrophobicContact CG1-CG1 3.82Å; I177-V208 HydrophobicContact CD1-CG1 3.89Å; E204-V208 WeakPolarHBondContact O-CG2 3.4Å; E204-V208 PolarHBondContact O-N 3.44Å; V205-V208 PolarHBondContact O-N 2.84Å; I206-V208 PolarHBondContact O-N 3.44Å; V208-S212 WeakPolarHBondContact O-CB 3.48Å; V208-S212 PolarHBondContact O-N 3.01Å; V208-S212 VanDerWaalsContact O-N 3.1Å; V208-S212 PolarHBondContact O-OG 3.18Å
209	L	96.3	Very high	87.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-46.6	177.7	-71.5	173.1	0	0	0	111.7	L161 V173 I177 I183 P193 L194 A197 V205 I206 K211 S212 N213 A214	L161-L209 HydrophobicContact CD1-CD2 4.42Å; L161-L209 HydrophobicContact CD2-CD2 4.29Å; V173-L209 HydrophobicContact CG1-CD2 4.15Å; V173-L209 HydrophobicContact CG1-CG 4.3Å; I177-L209 HydrophobicContact CD1-CD2 4.11Å; I183-L209 HydrophobicContact CG2-CD2 4.12Å; P193-L209 HydrophobicContact CB-CD1 4.24Å; P193-L209 HydrophobicContact CB-CD2 4.33Å; L194-L209 HydrophobicContact CB-CD1 4.2Å; L194-L209 HydrophobicContact CD1-CB 4.25Å; L194-L209 HydrophobicContact CD1-CD1 4.16Å; A197-L209 HydrophobicContact CB-CD1 4.07Å; V205-L209 HydrophobicContact CG1-CD1 3.8Å; V205-L209 HydrophobicContact CG1-CG 4.24Å; V205-L209 WeakPolarHBondContact O-CB 3.32Å; V205-L209 WeakPolarHBondContact O-CG 3.49Å; V205-L209 PolarHBondContact O-N 3.49Å; I206-L209 PolarHBondContact O-N 2.8Å; L209-K211 PolarHBondContact O-N 3.17Å; L209-S212 CarbonylContact O-C 3.5Å; L209-S212 WeakPolarHBondContact O-CA 3.2Å; L209-S212 PolarHBondContact O-N 3.1Å; L209-N213 PolarHBondContact O-N 3.36Å; L209-A214 HydrophobicContact CB-CB 3.85Å; L209-A214 VanDerWaalsContact O-CB 3.24Å; L209-A214 WeakPolarHBondContact O-CB 3.17Å; L209-A214 PolarHBondContact O-N 3.23Å
210	L	92.8	Very high	87.9	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-42.4	178.4	-70.1	178	0	0	0	112.5	L194 I206 Q207 S212 N213 I216 F238 Y241	L194-L210 HydrophobicContact CD1-CD2 4.49Å; L194-L210 HydrophobicContact CD2-CD2 3.95Å; I206-L210 HydrophobicContact CG2-CD1 3.57Å; I206-L210 HydrophobicContact CG2-CG 4.01Å; I206-L210 WeakPolarHBondContact O-CB 2.96Å; I206-L210 WeakPolarHBondContact O-CG 3.44Å; I206-L210 PolarHBondContact O-N 3.4Å; Q207-L210 PolarHBondContact O-N 3.01Å; L210-S212 PolarHBondContact O-N 2.96Å; L210-N213 PolarHBondContact O-N 2.99Å; L210-N213 VanDerWaalsContact O-N 3.13Å; L210-I216 HydrophobicContact CD2-CG2 3.18Å; L210-F238 HydrophobicContact CD1-CD1 3.89Å; L210-F238 HydrophobicContact CD1-CE1 3.9Å; L210-F238 HydrophobicContact CD1-CG 4.47Å; L210-F238 HydrophobicContact CD1-CZ 4.47Å; L210-F238 HydrophobicContact CD2-CD1 4.12Å; L210-F238 HydrophobicContact CD2-CE1 3.97Å; L210-F238 HydrophobicContact CG-CE1 4.44Å; L210-Y241 HydrophobicContact CB-CD1 3.75Å; L210-Y241 HydrophobicContact CB-CD2 4.02Å; L210-Y241 HydrophobicContact CB-CE1 3.72Å; L210-Y241 HydrophobicContact CB-CE2 3.99Å; L210-Y241 HydrophobicContact CB-CG 3.9Å; L210-Y241 HydrophobicContact CD1-CD2 3.68Å; L210-Y241 HydrophobicContact CD1-CE2 3.93Å; L210-Y241 HydrophobicContact CD1-CG 4.17Å; L210-Y241 HydrophobicContact CD2-CG 4.42Å; L210-Y241 HydrophobicContact CG-CD2 4.36Å; L210-Y241 HydrophobicContact CG-CG 4.41Å
211	K	93.5	Very high	88.1	Confident	123 Å²	123	51 Å²	51	54%	0.535	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-27.4	172.7	-74.8	172	-174.9	166.5	0	112.4	Q207 L209 N213 Y241	Q207-K211 VanDerWaalsContact O-CB 3.3Å; Q207-K211 WeakPolarHBondContact O-CB 3.15Å; Q207-K211 WeakPolarHBondContact O-CG 3.46Å; Q207-K211 PolarHBondContact O-N 3.39Å; L209-K211 PolarHBondContact O-N 3.17Å; K211-N213 VanDerWaalsContact C-N 3.32Å; K211-Y241 HydrophobicContact CG-CE1 4.27Å; K211-Y241 VanDerWaalsContact CG-OH 3.31Å; K211-Y241 WeakPolarHBondContact CG-OH 3.23Å
212	S	94.5	Very high	88	Confident	36 Å²	36	51.5 Å²	51.5	25%	0.252	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	17	178.9	-49.7	0	0	0	0	113	I183 V208 L209 L210	I183-S212 WeakPolarHBondContact CD1-O 3.16Å; V208-S212 WeakPolarHBondContact O-CB 3.48Å; V208-S212 PolarHBondContact O-N 3.01Å; V208-S212 VanDerWaalsContact O-N 3.1Å; V208-S212 PolarHBondContact O-OG 3.18Å; L209-S212 CarbonylContact O-C 3.5Å; L209-S212 WeakPolarHBondContact O-CA 3.2Å; L209-S212 PolarHBondContact O-N 3.1Å; L210-S212 PolarHBondContact O-N 2.96Å
213	N	91.9	Very high	87.6	Confident	113 Å²	113	50.2 Å²	50.2	60%	0.604	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	37.5	178.2	-62.3	30.2	0	0	0	114.4	L209 L210 K211	L209-N213 PolarHBondContact O-N 3.36Å; L210-N213 PolarHBondContact O-N 2.99Å; L210-N213 VanDerWaalsContact O-N 3.13Å; K211-N213 VanDerWaalsContact C-N 3.32Å
214	A	93.5	Very high	87	Confident	10 Å²	10	46.8 Å²	46.8	8%	0.083	24%	0.239	C	C	.	.			trans	-59.8	137.7	163.7	0	0	0	0	0	110.9	I183 N184 L194 L209 I216	I183-A214 HydrophobicContact CG2-CB 3.61Å; N184-A214 WeakPolarHBondContact OD1-CA 3.31Å; L194-A214 HydrophobicContact CB-CB 4.32Å; L194-A214 HydrophobicContact CD2-CB 3.91Å; L209-A214 HydrophobicContact CB-CB 3.85Å; L209-A214 VanDerWaalsContact O-CB 3.24Å; L209-A214 WeakPolarHBondContact O-CB 3.17Å; L209-A214 PolarHBondContact O-N 3.23Å; A214-I216 PolarHBondContact O-N 3.46Å
215	D	90.5	Very high	86.5	Confident	68 Å²	68	42.9 Å²	42.9	36%	0.364	22%	0.22	S	C	.	.			trans	-77.1	109	-179.5	178.9	14	0	0	0	110.5	N184 Y217 A218	N184-D215 PolarHBondContact OD1-N 3.42Å; D215-Y217 PolarHBondContact O-N 3.48Å; D215-Y217 WeakPolarHBondContact OD1-CA 3.01Å; D215-Y217 PolarHBondContact OD1-N 2.81Å; D215-A218 HydrophobicContact CB-CB 4.11Å; D215-A218 WeakPolarHBondContact O-CB 3.4Å; D215-A218 PolarHBondContact O-N 3.02Å; D215-A218 PolarHBondContact OD1-N 2.81Å; D215-A218 PolarHBondContact OD2-N 2.91Å
216	I	84	Confident	85.7	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.051	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-17	178.6	70.8	-178	0	0	0	113	L194 L210 A214 T226 Y227 F238 L242	L194-I216 HydrophobicContact CD2-CG2 4.18Å; L210-I216 HydrophobicContact CD2-CG2 3.18Å; A214-I216 PolarHBondContact O-N 3.46Å; I216-T226 WeakPolarHBondContact CA-OG1 3.29Å; I216-T226 PolarHBondContact O-OG1 3.42Å; I216-Y227 WeakPolarHBondContact O-CD1 3.42Å; I216-Y227 WeakPolarHBondContact O-CE1 3.27Å; I216-F238 HydrophobicContact CG2-CD1 4.11Å; I216-F238 HydrophobicContact CG2-CE1 4.27Å; I216-L242 HydrophobicContact CD1-CD2 3.78Å
217	Y	84.7	Confident	84.8	Confident	76 Å²	76	45.2 Å²	45.2	30%	0.298	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	7.7	178.2	-58.4	-77.4	0	0	0	112	D215 K219 F225 Y227 L242 S245	D215-Y217 PolarHBondContact O-N 3.48Å; D215-Y217 WeakPolarHBondContact OD1-CA 3.01Å; D215-Y217 PolarHBondContact OD1-N 2.81Å; Y217-K219 PolarHBondContact O-N 3.44Å; Y217-F225 HydrophobicContact CD1-CE1 4.36Å; Y217-F225 WeakPolarHBondContact O-CD1 3.18Å; Y217-Y227 HydrophobicContact CD1-CE1 4.1Å; Y217-Y227 HydrophobicContact CE1-CE1 4.22Å; Y217-L242 PolarHBondContact OH-O 3.34Å; Y217-S245 WeakPolarHBondContact CE2-OG 3.44Å
218	A	87	Confident	83.7	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.041	23%	0.227	C	C	.	.			trans	-58.2	130.4	172.2	0	0	0	0	0	108.9	T192 H195 D215 F225 T226	T192-A218 HydrophobicContact CG2-CB 3.88Å; H195-A218 PolarHBondContact CE1-O 2.92Å; H195-A218 VanDerWaalsContact CE1-O 3.26Å; H195-A218 PolarHBondContact NE2-O 3.32Å; D215-A218 HydrophobicContact CB-CB 4.11Å; D215-A218 WeakPolarHBondContact O-CB 3.4Å; D215-A218 PolarHBondContact O-N 3.02Å; D215-A218 PolarHBondContact OD1-N 2.81Å; D215-A218 PolarHBondContact OD2-N 2.91Å; A218-F225 WeakPolarHBondContact O-CA 3.35Å; A218-T226 HydrophobicContact CB-CG2 4.15Å; A218-T226 PolarHBondContact O-N 3.4Å
219	K	83.9	Confident	82.3	Confident	102 Å²	102	43.3 Å²	43.3	44%	0.443	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-103.9	137	173.7	-65.3	-177.1	179.2	-174.2	0	111.4	K186 Y217 N224 F225	K186-K219 PolarHBondContact NZ-O 3.13Å; Y217-K219 PolarHBondContact O-N 3.44Å; K219-N224 VanDerWaalsContact CA-O 3.24Å; K219-N224 WeakPolarHBondContact CA-O 3.47Å; K219-F225 HydrophobicContact CD-CD1 4.48Å; K219-F225 HydrophobicContact CD-CE1 4.08Å; K219-F225 HydrophobicContact CD-CZ 4.37Å; K219-F225 HydrophobicContact CG-CD1 3.73Å; K219-F225 HydrophobicContact CG-CE1 3.76Å; K219-F225 HydrophobicContact CG-CG 4.44Å; K219-F225 HydrophobicContact CG-CZ 4.46Å
220	D	80.8	Confident	80.9	Confident	9 Å²	9	44.4 Å²	44.4	5%	0.048	23%	0.225	C	C	.	.			trans	-74.8	178.4	165.5	71.6	10.6	0	0	0	112.2	G190 Q191 H195 E222 G223 N224	G190-D220 WeakPolarHBondContact O-CA 3.08Å; Q191-D220 HydrophobicContact CG-CB 3.67Å; Q191-D220 PolarHBondContact NE2-OD2 3.3Å; H195-D220 PolarHBondContact NE2-N 2.99Å; D220-E222 PolarHBondContact O-N 3.48Å; D220-E222 VanDerWaalsContact O-N 3.17Å; D220-E222 WeakPolarHBondContact OD1-CA 2.83Å; D220-E222 WeakPolarHBondContact OD1-CB 3.25Å; D220-E222 PolarHBondContact OD1-N 2.91Å; D220-G223 PolarHBondContact O-N 2.58Å; D220-G223 PolarHBondContact OD1-N 3.23Å; D220-N224 PolarHBondContact N-O 3.26Å; D220-N224 VanDerWaalsContact N-O 3.09Å; D220-N224 WeakPolarHBondContact OD1-CB 3Å; D220-N224 PolarHBondContact OD1-N 3.2Å; D220-N224 PolarHBondContact OD1-ND2 3.13Å; D220-N224 WeakPolarHBondContact OD2-CB 3.3Å; D220-N224 PolarHBondContact OD2-ND2 2.92Å
221	N	79.7	Confident	79.3	Confident	109 Å²	109	49.8 Å²	49.8	58%	0.583	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.9	-179.2	-71.4	-12.4	0	0	0	113.2	A188 E189 G190	A188-N221 PolarHBondContact O-ND2 2.99Å; E189-N221 WeakPolarHBondContact CA-ND2 3.33Å; E189-N221 VanDerWaalsContact O-CB 3.26Å; E189-N221 WeakPolarHBondContact O-CB 3.38Å; E189-N221 PolarHBondContact O-N 3.17Å; E189-N221 PolarHBondContact O-ND2 2.97Å; G190-N221 WeakPolarHBondContact CA-OD1 3.15Å; G190-N221 PolarHBondContact N-ND2 2.99Å
222	E	72.1	Confident	77.7	Confident	51 Å²	51	45.7 Å²	45.7	24%	0.238	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.4	176.3	-52.4	-159.5	137.2	0	0	113	V102 D220 N224	V102-E222 WeakPolarHBondContact CB-OE2 3.25Å; V102-E222 WeakPolarHBondContact CG2-OE1 3.39Å; V102-E222 WeakPolarHBondContact CG2-OE2 2.96Å; D220-E222 PolarHBondContact O-N 3.48Å; D220-E222 VanDerWaalsContact O-N 3.17Å; D220-E222 WeakPolarHBondContact OD1-CA 2.83Å; D220-E222 WeakPolarHBondContact OD1-CB 3.25Å; D220-E222 PolarHBondContact OD1-N 2.91Å; E222-N224 PolarHBondContact OE2-ND2 3.19Å
223	G	74.3	Confident	76.3	Confident	30 Å²	30	48.3 Å²	48.3	31%	0.309	26%	0.257	S	S	.	.			trans	87.6	11.2	-179.9	0	0	0	0	0	114	D220	D220-G223 PolarHBondContact O-N 2.58Å; D220-G223 PolarHBondContact OD1-N 3.23Å
224	N	71.4	Confident	74.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.			trans	-75	133.7	175.9	-49	-41.1	0	0	0	109.6	Q99 H195 K219 D220 E222 L229	Q99-N224 WeakPolarHBondContact CB-OD1 3.46Å; Q99-N224 WeakPolarHBondContact CG-OD1 3.41Å; Q99-N224 PolarHBondContact NE2-OD1 2.8Å; H195-N224 PolarHBondContact NE2-O 3.47Å; K219-N224 VanDerWaalsContact CA-O 3.24Å; K219-N224 WeakPolarHBondContact CA-O 3.47Å; D220-N224 PolarHBondContact N-O 3.26Å; D220-N224 VanDerWaalsContact N-O 3.09Å; D220-N224 WeakPolarHBondContact OD1-CB 3Å; D220-N224 PolarHBondContact OD1-N 3.2Å; D220-N224 PolarHBondContact OD1-ND2 3.13Å; D220-N224 WeakPolarHBondContact OD2-CB 3.3Å; D220-N224 PolarHBondContact OD2-ND2 2.92Å; E222-N224 PolarHBondContact OE2-ND2 3.19Å; N224-L229 HydrophobicContact CB-CD2 4.39Å
225	F	77.9	Confident	72.9	Confident	47 Å²	47	50.3 Å²	50.3	21%	0.206	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-76	158.3	166.8	-64.1	-75.2	0	0	0	110.6	Y217 A218 K219 Y227 D228	Y217-F225 HydrophobicContact CD1-CE1 4.36Å; Y217-F225 WeakPolarHBondContact O-CD1 3.18Å; A218-F225 WeakPolarHBondContact O-CA 3.35Å; K219-F225 HydrophobicContact CD-CD1 4.48Å; K219-F225 HydrophobicContact CD-CE1 4.08Å; K219-F225 HydrophobicContact CD-CZ 4.37Å; K219-F225 HydrophobicContact CG-CD1 3.73Å; K219-F225 HydrophobicContact CG-CE1 3.76Å; K219-F225 HydrophobicContact CG-CG 4.44Å; K219-F225 HydrophobicContact CG-CZ 4.46Å; F225-Y227 HydrophobicContact CB-CD1 4.05Å; F225-Y227 HydrophobicContact CB-CD2 4.24Å; F225-Y227 HydrophobicContact CB-CE1 3.64Å; F225-Y227 HydrophobicContact CB-CE2 3.82Å; F225-Y227 HydrophobicContact CB-CG 4.34Å; F225-Y227 HydrophobicContact CD1-CE1 4.37Å; F225-Y227 HydrophobicContact CD2-CE2 4.15Å; F225-Y227 AromaticContact CD2-CZ 3.79Å; F225-Y227 VanDerWaalsContact CD2-OH 3.25Å; F225-Y227 WeakPolarHBondContact CD2-OH 3.37Å; F225-Y227 HydrophobicContact CG-CE1 4.01Å; F225-Y227 HydrophobicContact CG-CE2 4.21Å; F225-Y227 AromaticContact CG-CZ 3.62Å; F225-Y227 WeakPolarHBondContact CG-OH 3.17Å; F225-Y227 PolarHBondContact O-N 3.38Å; F225-D228 WeakPolarHBondContact CD2-OD2 3.37Å; F225-D228 PolarHBondContact N-OD2 2.96Å; F225-D228 WeakPolarHBondContact O-CB 3.22Å; F225-D228 PolarHBondContact O-N 3.25Å
226	T	73.4	Confident	71.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-55.8	-39.3	179.1	59.1	0	0	0	0	112.7	L194 H195 C198 I216 A218 L229	L194-T226 HydrophobicContact CB-CG2 3.97Å; L194-T226 HydrophobicContact CD2-CG2 3.92Å; L194-T226 HydrophobicContact CG-CG2 3.9Å; H195-T226 WeakPolarHBondContact CE1-CG2 3.42Å; H195-T226 WeakPolarHBondContact ND1-CG2 3.42Å; C198-T226 WeakPolarHBondContact CB-O 3.5Å; C198-T226 PolarHBondContact SG-O 3.02Å; I216-T226 WeakPolarHBondContact CA-OG1 3.29Å; I216-T226 PolarHBondContact O-OG1 3.42Å; A218-T226 HydrophobicContact CB-CG2 4.15Å; A218-T226 PolarHBondContact O-N 3.4Å; T226-L229 PolarHBondContact O-N 3.37Å
227	Y	71.4	Confident	71.1	Confident	50 Å²	50	51.9 Å²	51.9	20%	0.196	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-78.8	-16.9	-179.3	55.2	-102.4	0	0	0	113.5	I216 Y217 F225 L229 Y230 F234	I216-Y227 WeakPolarHBondContact O-CD1 3.42Å; I216-Y227 WeakPolarHBondContact O-CE1 3.27Å; Y217-Y227 HydrophobicContact CD1-CE1 4.1Å; Y217-Y227 HydrophobicContact CE1-CE1 4.22Å; F225-Y227 HydrophobicContact CB-CD1 4.05Å; F225-Y227 HydrophobicContact CB-CD2 4.24Å; F225-Y227 HydrophobicContact CB-CE1 3.64Å; F225-Y227 HydrophobicContact CB-CE2 3.82Å; F225-Y227 HydrophobicContact CB-CG 4.34Å; F225-Y227 HydrophobicContact CD1-CE1 4.37Å; F225-Y227 HydrophobicContact CD2-CE2 4.15Å; F225-Y227 AromaticContact CD2-CZ 3.79Å; F225-Y227 VanDerWaalsContact CD2-OH 3.25Å; F225-Y227 WeakPolarHBondContact CD2-OH 3.37Å; F225-Y227 HydrophobicContact CG-CE1 4.01Å; F225-Y227 HydrophobicContact CG-CE2 4.21Å; F225-Y227 AromaticContact CG-CZ 3.62Å; F225-Y227 WeakPolarHBondContact CG-OH 3.17Å; F225-Y227 PolarHBondContact O-N 3.38Å; Y227-L229 PolarHBondContact O-N 3.17Å; Y227-Y230 PolarHBondContact O-N 3.44Å; Y227-F234 VanDerWaalsContact CB-CE2 3.45Å; Y227-F234 HydrophobicContact CD1-CE2 4.08Å; Y227-F234 AromaticContact CD2-CE2 3.98Å; Y227-F234 HydrophobicContact CD2-CE2 3.98Å; Y227-F234 HydrophobicContact CG-CD2 4.25Å; Y227-F234 AromaticContact CG-CE2 3.57Å; Y227-F234 HydrophobicContact CG-CE2 3.57Å; Y227-F234 HydrophobicContact CG-CZ 4.4Å
228	D	67.5	Low	70.4	Confident	57 Å²	57	48.2 Å²	48.2	31%	0.305	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21.1	173.9	-66	-24.2	0	0	0	111.1	F225	F225-D228 WeakPolarHBondContact CD2-OD2 3.37Å; F225-D228 PolarHBondContact N-OD2 2.96Å; F225-D228 WeakPolarHBondContact O-CB 3.22Å; F225-D228 PolarHBondContact O-N 3.25Å
229	L	68	Low	69.6	Low	10 Å²	10	51.7 Å²	51.7	5%	0.052	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-91.9	-6.8	179.3	-55.8	-179.1	0	0	0	113.5	H195 C198 S199 N224 T226 Y227	H195-L229 HydrophobicContact CB-CD1 3.95Å; C198-L229 CarbonylContact C-O 3.41Å; C198-L229 HydrophobicContact CB-CB 4.24Å; S199-L229 WeakPolarHBondContact CA-O 3.49Å; N224-L229 HydrophobicContact CB-CD2 4.39Å; T226-L229 PolarHBondContact O-N 3.37Å; Y227-L229 PolarHBondContact O-N 3.17Å
230	Y	66.9	Low	69.3	Low	23 Å²	23	52.5 Å²	52.5	9%	0.09	29%	0.285	C	S	.	.			trans	-91	120.2	-175.2	-179.5	-116.4	0	0	0	111.4	D203 I206 Y227 G232 L237 F238	D203-Y230 VanDerWaalsContact OD1-CE2 3.32Å; D203-Y230 WeakPolarHBondContact OD1-CE2 3.27Å; D203-Y230 PolarHBondContact OD1-OH 3.04Å; D203-Y230 VanDerWaalsContact OD1-OH 3.04Å; I206-Y230 HydrophobicContact CD1-CD2 3.66Å; I206-Y230 HydrophobicContact CD1-CE2 3.64Å; Y227-Y230 PolarHBondContact O-N 3.44Å; Y230-G232 VanDerWaalsContact CE1-CA 3.41Å; Y230-G232 WeakPolarHBondContact CE1-O 3.38Å; Y230-L237 HydrophobicContact CE1-CB 4.32Å; Y230-L237 HydrophobicContact CE1-CD2 3.99Å; Y230-L237 HydrophobicContact CE2-CD2 3.84Å; Y230-L237 VanDerWaalsContact CZ-CD2 3.47Å; Y230-L237 WeakPolarHBondContact OH-CD2 3.07Å; Y230-F238 HydrophobicContact CD1-CD2 4.34Å; Y230-F238 AromaticContact CD1-CE2 3.7Å; Y230-F238 HydrophobicContact CD1-CE2 3.7Å; Y230-F238 HydrophobicContact CE1-CE2 4.09Å; Y230-F238 HydrophobicContact CG-CE2 4.05Å
231	D	57.3	Low	69	Low	116 Å²	116	53.3 Å²	53.3	62%	0.62	29%	0.288	S	S	*	.			trans	-89.7	-2.2	-179.3	-166.1	39.5	0	0	0	113.5
232	G	60.9	Low	68.5	Low	37 Å²	37	50 Å²	50	38%	0.381	27%	0.27	S	S	.	.	S	Bend	trans	-86.8	-173.7	178.5	0	0	0	0	0	114.1	Y230 F234	Y230-G232 VanDerWaalsContact CE1-CA 3.41Å; Y230-G232 WeakPolarHBondContact CE1-O 3.38Å; G232-F234 PolarHBondContact O-N 3.24Å
233	D	65.1	Low	68.1	Low	91 Å²	91	54.9 Å²	54.9	49%	0.487	29%	0.292	S	S	.	.			trans	-74.6	94.1	177.7	-173.7	-17.7	0	0	0	110.9	H235 T236 L237	D233-H235 PolarHBondContact O-N 3.32Å; D233-H235 VanDerWaalsContact O-N 3.17Å; D233-H235 WeakPolarHBondContact OD1-CB 3.45Å; D233-H235 PolarHBondContact OD1-N 2.99Å; D233-T236 HydrophobicContact CB-CG2 4.08Å; D233-T236 PolarHBondContact O-N 2.94Å; D233-T236 PolarHBondContact O-OG1 3.27Å; D233-T236 PolarHBondContact OD1-N 3.27Å; D233-T236 WeakPolarHBondContact OD2-CG2 3.3Å; D233-L237 PolarHBondContact O-N 3.06Å
234	F	56.8	Low	67.5	Low	55 Å²	55	60.3 Å²	60.3	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-48.5	-40.5	177.7	175	-97.7	0	0	0	113.2	Y227 G232 T236 L237 F238 L242	Y227-F234 VanDerWaalsContact CB-CE2 3.45Å; Y227-F234 HydrophobicContact CD1-CE2 4.08Å; Y227-F234 AromaticContact CD2-CE2 3.98Å; Y227-F234 HydrophobicContact CD2-CE2 3.98Å; Y227-F234 HydrophobicContact CG-CD2 4.25Å; Y227-F234 AromaticContact CG-CE2 3.57Å; Y227-F234 HydrophobicContact CG-CE2 3.57Å; Y227-F234 HydrophobicContact CG-CZ 4.4Å; G232-F234 PolarHBondContact O-N 3.24Å; F234-T236 VanDerWaalsContact C-N 3.3Å; F234-T236 PolarHBondContact O-N 3.18Å; F234-L237 PolarHBondContact O-N 3.15Å; F234-F238 HydrophobicContact CD2-CB 3.89Å; F234-F238 AromaticContact CD2-CD2 3.49Å; F234-F238 HydrophobicContact CD2-CD2 3.49Å; F234-F238 VanDerWaalsContact CD2-CD2 3.49Å; F234-F238 HydrophobicContact CD2-CE2 4.22Å; F234-F238 AromaticContact CD2-CG 3.78Å; F234-F238 HydrophobicContact CD2-CG 3.78Å; F234-F238 HydrophobicContact CE2-CB 3.65Å; F234-F238 HydrophobicContact CE2-CD1 4.34Å; F234-F238 AromaticContact CE2-CD2 3.91Å; F234-F238 HydrophobicContact CE2-CD2 3.91Å; F234-F238 AromaticContact CE2-CG 3.7Å; F234-F238 HydrophobicContact CE2-CG 3.7Å; F234-F238 HydrophobicContact CG-CB 4.44Å; F234-F238 HydrophobicContact CG-CD2 4.28Å; F234-F238 HydrophobicContact CZ-CB 4.03Å; F234-F238 WeakPolarHBondContact O-CB 3.41Å; F234-F238 PolarHBondContact O-N 2.93Å; F234-L242 HydrophobicContact CE1-CD1 3.84Å; F234-L242 HydrophobicContact CE1-CD2 4.24Å; F234-L242 HydrophobicContact CE2-CD2 4.42Å; F234-L242 HydrophobicContact CZ-CD1 4.03Å; F234-L242 HydrophobicContact CZ-CD2 3.56Å; F234-L242 HydrophobicContact CZ-CG 4.29Å
235	H	56.6	Low	66.4	Low	110 Å²	110	62.9 Å²	62.9	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-70.2	-27.4	-177.1	-70.3	-66.2	0	0	0	112.4	D233 N239	D233-H235 PolarHBondContact O-N 3.32Å; D233-H235 VanDerWaalsContact O-N 3.17Å; D233-H235 WeakPolarHBondContact OD1-CB 3.45Å; D233-H235 PolarHBondContact OD1-N 2.99Å; H235-N239 WeakPolarHBondContact O-CB 3.39Å
236	T	67.1	Low	64.5	Low	100 Å²	100	66.2 Å²	66.2	61%	0.613	35%	0.346	S	S	*	.	H	α-helix	trans	-76.5	-35.8	176.1	60.9	0	0	0	0	112.7	D233 F234	D233-T236 HydrophobicContact CB-CG2 4.08Å; D233-T236 PolarHBondContact O-N 2.94Å; D233-T236 PolarHBondContact O-OG1 3.27Å; D233-T236 PolarHBondContact OD1-N 3.27Å; D233-T236 WeakPolarHBondContact OD2-CG2 3.3Å; F234-T236 VanDerWaalsContact C-N 3.3Å; F234-T236 PolarHBondContact O-N 3.18Å
237	L	69.9	Low	62.6	Low	11 Å²	11	75 Å²	75	6%	0.058	41%	0.407	C	S	.	.	H	α-helix	trans	-95.4	-38.9	-169.5	-161.8	64.5	0	0	0	113.2	I206 Q207 Y230 D233 F234 Y241	I206-L237 HydrophobicContact CB-CD2 3.81Å; I206-L237 HydrophobicContact CD1-CD2 3.72Å; I206-L237 HydrophobicContact CG1-CD2 4.38Å; I206-L237 HydrophobicContact CG2-CD2 3.39Å; I206-L237 HydrophobicContact CG2-CG 3.89Å; Q207-L237 HydrophobicContact CG-CD1 3.47Å; Q207-L237 VanDerWaalsContact CG-CD1 3.47Å; Y230-L237 HydrophobicContact CE1-CB 4.32Å; Y230-L237 HydrophobicContact CE1-CD2 3.99Å; Y230-L237 HydrophobicContact CE2-CD2 3.84Å; Y230-L237 VanDerWaalsContact CZ-CD2 3.47Å; Y230-L237 WeakPolarHBondContact OH-CD2 3.07Å; D233-L237 PolarHBondContact O-N 3.06Å; F234-L237 PolarHBondContact O-N 3.15Å; L237-Y241 WeakPolarHBondContact O-CD2 3.46Å; L237-Y241 WeakPolarHBondContact O-CE2 3.34Å
238	F	70.6	Confident	62.1	Low	0 Å²	0	76.3 Å²	76.3	0%	0	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-19.1	-171.8	-70.1	-90.4	0	0	0	114.1	I206 L210 I216 Y230 F234 D240 Y241 L242	I206-F238 HydrophobicContact CG2-CE1 4.35Å; I206-F238 HydrophobicContact CG2-CE2 4.37Å; I206-F238 HydrophobicContact CG2-CZ 3.85Å; L210-F238 HydrophobicContact CD1-CD1 3.89Å; L210-F238 HydrophobicContact CD1-CE1 3.9Å; L210-F238 HydrophobicContact CD1-CG 4.47Å; L210-F238 HydrophobicContact CD1-CZ 4.47Å; L210-F238 HydrophobicContact CD2-CD1 4.12Å; L210-F238 HydrophobicContact CD2-CE1 3.97Å; L210-F238 HydrophobicContact CG-CE1 4.44Å; I216-F238 HydrophobicContact CG2-CD1 4.11Å; I216-F238 HydrophobicContact CG2-CE1 4.27Å; Y230-F238 HydrophobicContact CD1-CD2 4.34Å; Y230-F238 AromaticContact CD1-CE2 3.7Å; Y230-F238 HydrophobicContact CD1-CE2 3.7Å; Y230-F238 HydrophobicContact CE1-CE2 4.09Å; Y230-F238 HydrophobicContact CG-CE2 4.05Å; F234-F238 HydrophobicContact CD2-CB 3.89Å; F234-F238 AromaticContact CD2-CD2 3.49Å; F234-F238 HydrophobicContact CD2-CD2 3.49Å; F234-F238 VanDerWaalsContact CD2-CD2 3.49Å; F234-F238 HydrophobicContact CD2-CE2 4.22Å; F234-F238 AromaticContact CD2-CG 3.78Å; F234-F238 HydrophobicContact CD2-CG 3.78Å; F234-F238 HydrophobicContact CE2-CB 3.65Å; F234-F238 HydrophobicContact CE2-CD1 4.34Å; F234-F238 AromaticContact CE2-CD2 3.91Å; F234-F238 HydrophobicContact CE2-CD2 3.91Å; F234-F238 AromaticContact CE2-CG 3.7Å; F234-F238 HydrophobicContact CE2-CG 3.7Å; F234-F238 HydrophobicContact CG-CB 4.44Å; F234-F238 HydrophobicContact CG-CD2 4.28Å; F234-F238 HydrophobicContact CZ-CB 4.03Å; F234-F238 WeakPolarHBondContact O-CB 3.41Å; F234-F238 PolarHBondContact O-N 2.93Å; F238-D240 VanDerWaalsContact C-N 3.26Å; F238-D240 PolarHBondContact O-N 3.48Å; F238-D240 VanDerWaalsContact O-N 3.16Å; F238-Y241 CarbonylContact O-C 3.39Å; F238-Y241 WeakPolarHBondContact O-CA 3.36Å; F238-Y241 WeakPolarHBondContact O-CB 3.37Å; F238-Y241 PolarHBondContact O-N 3.33Å; F238-L242 WeakPolarHBondContact O-CG 3.2Å; F238-L242 PolarHBondContact O-N 2.95Å
239	N	70.5	Confident	61.8	Low	77 Å²	77	77.3 Å²	77.3	41%	0.412	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.8	-169.8	-170.2	53.1	0	0	0	113.4	H235 Y241	H235-N239 WeakPolarHBondContact O-CB 3.39Å; N239-Y241 PolarHBondContact O-N 2.8Å
240	D	76.6	Confident	61.5	Low	120 Å²	120	81 Å²	81	64%	0.642	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-11	176.4	-67.8	-12.1	0	0	0	113.8	F238	F238-D240 VanDerWaalsContact C-N 3.26Å; F238-D240 PolarHBondContact O-N 3.48Å; F238-D240 VanDerWaalsContact O-N 3.16Å
241	Y	75.3	Confident	61.2	Low	25 Å²	25	84.4 Å²	84.4	10%	0.098	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-17.1	-174.2	-54.4	-84.3	0	0	0	113.4	L210 K211 L237 F238 N239 H243 R244	L210-Y241 HydrophobicContact CB-CD1 3.75Å; L210-Y241 HydrophobicContact CB-CD2 4.02Å; L210-Y241 HydrophobicContact CB-CE1 3.72Å; L210-Y241 HydrophobicContact CB-CE2 3.99Å; L210-Y241 HydrophobicContact CB-CG 3.9Å; L210-Y241 HydrophobicContact CD1-CD2 3.68Å; L210-Y241 HydrophobicContact CD1-CE2 3.93Å; L210-Y241 HydrophobicContact CD1-CG 4.17Å; L210-Y241 HydrophobicContact CD2-CG 4.42Å; L210-Y241 HydrophobicContact CG-CD2 4.36Å; L210-Y241 HydrophobicContact CG-CG 4.41Å; K211-Y241 HydrophobicContact CG-CE1 4.27Å; K211-Y241 VanDerWaalsContact CG-OH 3.31Å; K211-Y241 WeakPolarHBondContact CG-OH 3.23Å; L237-Y241 WeakPolarHBondContact O-CD2 3.46Å; L237-Y241 WeakPolarHBondContact O-CE2 3.34Å; F238-Y241 CarbonylContact O-C 3.39Å; F238-Y241 WeakPolarHBondContact O-CA 3.36Å; F238-Y241 WeakPolarHBondContact O-CB 3.37Å; F238-Y241 PolarHBondContact O-N 3.33Å; N239-Y241 PolarHBondContact O-N 2.8Å; Y241-H243 PolarHBondContact O-N 3.3Å; Y241-H243 VanDerWaalsContact O-N 3.17Å; Y241-R244 WeakPolarHBondContact O-CB 3.44Å; Y241-R244 PolarHBondContact O-N 2.83Å
242	L	68.3	Low	61.4	Low	40 Å²	40	82.4 Å²	82.4	21%	0.209	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.9	-179.3	-69.4	171.2	0	0	0	113.6	I216 Y217 F234 F238 R244	I216-L242 HydrophobicContact CD1-CD2 3.78Å; Y217-L242 PolarHBondContact OH-O 3.34Å; F234-L242 HydrophobicContact CE1-CD1 3.84Å; F234-L242 HydrophobicContact CE1-CD2 4.24Å; F234-L242 HydrophobicContact CE2-CD2 4.42Å; F234-L242 HydrophobicContact CZ-CD1 4.03Å; F234-L242 HydrophobicContact CZ-CD2 3.56Å; F234-L242 HydrophobicContact CZ-CG 4.29Å; F238-L242 WeakPolarHBondContact O-CG 3.2Å; F238-L242 PolarHBondContact O-N 2.95Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 2.87Å
243	H	65.1	Low	61.5	Low	153 Å²	153	85.5 Å²	85.5	71%	0.708	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-78.2	-7.6	179.9	-60.2	-55.8	0	0	0	114.1	Y241 S245	Y241-H243 PolarHBondContact O-N 3.3Å; Y241-H243 VanDerWaalsContact O-N 3.17Å; H243-S245 PolarHBondContact O-N 3.08Å
244	R	60.6	Low	61.2	Low	144 Å²	144	85.1 Å²	85.1	54%	0.543	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-82.9	-7	-172.6	-63.7	-172.5	-174.7	-164.4	0.4	114.7	Y241 L242	Y241-R244 WeakPolarHBondContact O-CB 3.44Å; Y241-R244 PolarHBondContact O-N 2.83Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 2.87Å
245	S	48	Very low	61.5	Low	54 Å²	54	87.4 Å²	87.4	38%	0.378	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-96.7	3.2	-174.6	64.3	0	0	0	0	116.1	Y217 H243	Y217-S245 WeakPolarHBondContact CE2-OG 3.44Å; H243-S245 PolarHBondContact O-N 3.08Å
246	T	38.6	Very low	62	Low	117 Å²	117	85.5 Å²	85.5	72%	0.718	47%	0.473	S	S	*	.			trans	-106.1	71	175.3	61.3	0	0	0	0	110.7
247	S	33	Very low	61.5	Low	185 Å²	185	84.2 Å²	84.2	100%	1.294	46%	0.46	S	S	*	.			trans	-156.5	0	161.3	-71.5	0	0	0	0	108.9

Retrieved 247 of 247 residues in 110.2 ms (Link to these results)

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