A0A061I960_CRIGR Loading...

Lipase

AlphaFold DB , UniProt , Accession A0A061I960, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100761952, Length 422 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	45.3	Very low	48.8	Very low	239 Å²	239	128 Å²	128	100%	1.177	66%	0.663	S	S	*	*				0	34.8	0	-155.8	171	77.7	0	0	112.5
2	S	48.6	Very low	48.8	Very low	103 Å²	103	123.6 Å²	123.6	72%	0.72	65%	0.651	S	S	*	*			trans	-139.3	9.9	177.3	77.8	0	0	0	0	115.7
3	E	42.8	Very low	49.1	Very low	163 Å²	163	118.6 Å²	118.6	76%	0.762	62%	0.622	S	S	*	*	S	Bend	trans	-103.2	-18.6	174.7	-77.7	-170.3	151.7	0	0	114.1	L5 S6	E3-L5 PolarHBondContact O-N 3.07Å; E3-S6 WeakPolarHBondContact O-CB 3.2Å; E3-S6 PolarHBondContact O-N 2.7Å; E3-S6 VanDerWaalsContact O-N 3.16Å; E3-S6 PolarHBondContact O-OG 3.27Å
4	I	47.3	Very low	49.5	Very low	127 Å²	127	120.8 Å²	120.8	65%	0.651	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-16.6	177.7	-58.9	172.9	0	0	0	111.6
5	L	48.5	Very low	50	Low	167 Å²	167	118.7 Å²	118.7	87%	0.874	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	22.1	173.1	-73.2	167.8	0	0	0	112.5	E3	E3-L5 PolarHBondContact O-N 3.07Å
6	S	52.2	Low	50.4	Low	49 Å²	49	117.8 Å²	117.8	34%	0.343	61%	0.605	S	S	.	*			trans	-70.6	139	170.8	78.9	0	0	0	0	109.8	E3 A8 W9	E3-S6 WeakPolarHBondContact O-CB 3.2Å; E3-S6 PolarHBondContact O-N 2.7Å; E3-S6 VanDerWaalsContact O-N 3.16Å; E3-S6 PolarHBondContact O-OG 3.27Å; S6-A8 PolarHBondContact O-N 2.88Å; S6-W9 PolarHBondContact O-N 2.92Å; S6-W9 PolarHBondContact OG-N 3.34Å
7	R	50.8	Low	50.9	Low	223 Å²	223	116.5 Å²	116.5	84%	0.842	60%	0.598	S	S	*	*	H	α-helix	trans	-48.9	-31.7	174.5	-118.4	177.3	178.9	-164.8	0.1	111.9	S10 V11	R7-S10 PolarHBondContact O-N 2.93Å; R7-S10 PolarHBondContact O-OG 2.84Å; R7-V11 WeakPolarHBondContact O-CG2 3.36Å; R7-V11 PolarHBondContact O-N 2.93Å; R7-V11 VanDerWaalsContact O-N 3.07Å
8	A	48.8	Very low	51.5	Low	68 Å²	68	119.3 Å²	119.3	56%	0.562	60%	0.6	S	S	*	*	H	α-helix	trans	-65.8	-39.5	178.7	0	0	0	0	0	113.8	S6 V11 S12	S6-A8 PolarHBondContact O-N 2.88Å; A8-V11 PolarHBondContact O-N 3.11Å; A8-S12 WeakPolarHBondContact O-CB 3.11Å; A8-S12 PolarHBondContact O-N 3.34Å
9	W	49.2	Very low	51.8	Low	136 Å²	136	118.5 Å²	118.5	52%	0.515	60%	0.598	S	S	.	*	H	α-helix	trans	-65.3	-41.3	176	-173.5	83.5	0	0	0	111.6	S6 V11 S12 H13	S6-W9 PolarHBondContact O-N 2.92Å; S6-W9 PolarHBondContact OG-N 3.34Å; W9-V11 VanDerWaalsContact C-N 3.31Å; W9-V11 PolarHBondContact O-N 2.93Å; W9-S12 PolarHBondContact O-N 3.1Å; W9-H13 AromaticContact CD1-CE1 3.55Å; W9-H13 AromaticContact CD1-ND1 3.83Å; W9-H13 AromaticContact CE2-CE1 3.79Å; W9-H13 AromaticContact CE2-ND1 3.84Å; W9-H13 AromaticContact NE1-CE1 3.23Å; W9-H13 PolarHBondContact NE1-CE1 2.88Å; W9-H13 AromaticContact NE1-ND1 3.68Å; W9-H13 AromaticContact NE1-NE2 3.93Å; W9-H13 PolarHBondContact O-N 2.77Å; W9-H13 PolarHBondContact O-ND1 3.39Å
10	S	48.4	Very low	52.2	Low	44 Å²	44	118.4 Å²	118.4	31%	0.308	60%	0.598	S	S	.	*	H	α-helix	trans	-67.5	-29.8	175.7	90.1	0	0	0	0	113	R7 R14	R7-S10 PolarHBondContact O-N 2.93Å; R7-S10 PolarHBondContact O-OG 2.84Å; S10-R14 WeakPolarHBondContact O-CB 3.4Å; S10-R14 VanDerWaalsContact O-CD 3.3Å; S10-R14 WeakPolarHBondContact O-CD 3.47Å; S10-R14 WeakPolarHBondContact O-CG 3.43Å; S10-R14 PolarHBondContact O-N 3.24Å
11	V	55.2	Low	52.8	Low	89 Å²	89	116.8 Å²	116.8	54%	0.539	59%	0.59	S	S	.	*	H	α-helix	trans	-80.2	-36.4	179.2	170.8	0	0	0	0	111	R7 A8 W9	R7-V11 WeakPolarHBondContact O-CG2 3.36Å; R7-V11 PolarHBondContact O-N 2.93Å; R7-V11 VanDerWaalsContact O-N 3.07Å; A8-V11 PolarHBondContact O-N 3.11Å; W9-V11 VanDerWaalsContact C-N 3.31Å; W9-V11 PolarHBondContact O-N 2.93Å
12	S	48.8	Very low	53.5	Low	75 Å²	75	110.1 Å²	110.1	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-66.3	-41	177.5	-166.9	0	0	0	0	112.8	A8 W9	A8-S12 WeakPolarHBondContact O-CB 3.11Å; A8-S12 PolarHBondContact O-N 3.34Å; W9-S12 PolarHBondContact O-N 3.1Å
13	H	53	Low	54.4	Low	59 Å²	59	110 Å²	110	27%	0.273	55%	0.55	S	S	.	.	H	α-helix	trans	-90	-9.5	-177.7	-63	79	0	0	0	113.6	W9 V15 E16 I17	W9-H13 AromaticContact CD1-CE1 3.55Å; W9-H13 AromaticContact CD1-ND1 3.83Å; W9-H13 AromaticContact CE2-CE1 3.79Å; W9-H13 AromaticContact CE2-ND1 3.84Å; W9-H13 AromaticContact NE1-CE1 3.23Å; W9-H13 PolarHBondContact NE1-CE1 2.88Å; W9-H13 AromaticContact NE1-ND1 3.68Å; W9-H13 AromaticContact NE1-NE2 3.93Å; W9-H13 PolarHBondContact O-N 2.77Å; W9-H13 PolarHBondContact O-ND1 3.39Å; H13-V15 VanDerWaalsContact C-N 3.27Å; H13-V15 PolarHBondContact O-N 3.22Å; H13-E16 IonicContact CD2-OE2 3.17Å; H13-E16 PolarHBondContact CD2-OE2 3.26Å; H13-E16 IonicContact CG-OE2 3.94Å; H13-E16 IonicContact NE2-OE2 3.99Å; H13-E16 PolarHBondContact O-N 3.29Å; H13-I17 VanDerWaalsContact O-CG1 3.3Å; H13-I17 WeakPolarHBondContact O-CG1 3.42Å; H13-I17 PolarHBondContact O-N 2.74Å
14	R	54.5	Low	55.3	Low	149 Å²	149	104.9 Å²	104.9	56%	0.562	54%	0.535	S	S	*	.	H	α-helix	trans	-59.7	-41.2	171.2	-94	167.9	-163.6	-117.9	1.3	110.9	S10 E16 I17 W18	S10-R14 WeakPolarHBondContact O-CB 3.4Å; S10-R14 VanDerWaalsContact O-CD 3.3Å; S10-R14 WeakPolarHBondContact O-CD 3.47Å; S10-R14 WeakPolarHBondContact O-CG 3.43Å; S10-R14 PolarHBondContact O-N 3.24Å; R14-E16 VanDerWaalsContact C-N 3.34Å; R14-I17 PolarHBondContact O-N 3.24Å; R14-W18 WeakPolarHBondContact O-CB 3.46Å; R14-W18 PolarHBondContact O-N 2.74Å
15	V	57.1	Low	56	Low	90 Å²	90	106.2 Å²	106.2	55%	0.545	53%	0.533	S	S	.	.	H	α-helix	trans	-64.8	-40.9	179.1	-179.1	0	0	0	0	110.6	H13 W18 L19	H13-V15 VanDerWaalsContact C-N 3.27Å; H13-V15 PolarHBondContact O-N 3.22Å; V15-W18 PolarHBondContact O-N 2.76Å; V15-L19 HydrophobicContact CG1-CD1 4.04Å; V15-L19 HydrophobicContact CG1-CG 4.42Å; V15-L19 WeakPolarHBondContact O-CB 3.36Å; V15-L19 WeakPolarHBondContact O-CG 3.1Å; V15-L19 PolarHBondContact O-N 3.07Å
16	E	56.6	Low	56.2	Low	104 Å²	104	102 Å²	102	49%	0.486	51%	0.511	S	S	.	.	H	α-helix	trans	-66.7	-41	176.2	-64.8	177.4	172.6	0	0	112.6	H13 R14 L19 L20	H13-E16 IonicContact CD2-OE2 3.17Å; H13-E16 PolarHBondContact CD2-OE2 3.26Å; H13-E16 IonicContact CG-OE2 3.94Å; H13-E16 IonicContact NE2-OE2 3.99Å; H13-E16 PolarHBondContact O-N 3.29Å; R14-E16 VanDerWaalsContact C-N 3.34Å; E16-L19 PolarHBondContact O-N 3.36Å; E16-L20 WeakPolarHBondContact O-CB 3.11Å; E16-L20 WeakPolarHBondContact O-CG 3.45Å; E16-L20 PolarHBondContact O-N 3.49Å
17	I	59.1	Low	56.4	Low	95 Å²	95	103.4 Å²	103.4	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-42	174.1	-68.6	167.3	0	0	0	110.6	H13 R14 L19 L20 I21	H13-I17 VanDerWaalsContact O-CG1 3.3Å; H13-I17 WeakPolarHBondContact O-CG1 3.42Å; H13-I17 PolarHBondContact O-N 2.74Å; R14-I17 PolarHBondContact O-N 3.24Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L20 PolarHBondContact O-N 2.75Å; I17-I21 HydrophobicContact CG2-CD1 3.79Å; I17-I21 HydrophobicContact CG2-CG1 4.44Å; I17-I21 WeakPolarHBondContact O-CB 3.26Å; I17-I21 VanDerWaalsContact O-CG1 3.22Å; I17-I21 WeakPolarHBondContact O-CG1 3.37Å; I17-I21 PolarHBondContact O-N 2.54Å
18	W	60.7	Low	56.5	Low	168 Å²	168	98.1 Å²	98.1	64%	0.636	50%	0.499	S	S	*	.	H	α-helix	trans	-66.5	-34.9	174.3	-75.4	120	0	0	0	112.1	R14 V15 I21 L22	R14-W18 WeakPolarHBondContact O-CB 3.46Å; R14-W18 PolarHBondContact O-N 2.74Å; V15-W18 PolarHBondContact O-N 2.76Å; W18-I21 HydrophobicContact CE3-CD1 4.26Å; W18-I21 HydrophobicContact CZ3-CD1 4.46Å; W18-I21 PolarHBondContact O-N 3.29Å; W18-L22 WeakPolarHBondContact O-CB 3.29Å; W18-L22 PolarHBondContact O-N 3.44Å
19	L	57.1	Low	56.5	Low	104 Å²	104	103 Å²	103	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-66.9	-40.6	172.7	-76.8	167.4	0	0	0	111.3	V15 E16 I17 L22 L23	V15-L19 HydrophobicContact CG1-CD1 4.04Å; V15-L19 HydrophobicContact CG1-CG 4.42Å; V15-L19 WeakPolarHBondContact O-CB 3.36Å; V15-L19 WeakPolarHBondContact O-CG 3.1Å; V15-L19 PolarHBondContact O-N 3.07Å; E16-L19 PolarHBondContact O-N 3.36Å; I17-L19 VanDerWaalsContact C-N 3.34Å; L19-L22 PolarHBondContact O-N 2.7Å; L19-L23 WeakPolarHBondContact O-CB 3.36Å; L19-L23 PolarHBondContact O-N 3Å
20	L	59.8	Low	56.6	Low	116 Å²	116	100.5 Å²	100.5	61%	0.607	50%	0.499	S	S	*	.	H	α-helix	trans	-67	-40.5	174.7	-73.7	170.3	0	0	0	111.9	E16 I17 L23 A24	E16-L20 WeakPolarHBondContact O-CB 3.11Å; E16-L20 WeakPolarHBondContact O-CG 3.45Å; E16-L20 PolarHBondContact O-N 3.49Å; I17-L20 PolarHBondContact O-N 2.75Å; L20-L23 PolarHBondContact O-N 3.48Å; L20-A24 WeakPolarHBondContact O-CB 3.28Å; L20-A24 PolarHBondContact O-N 2.97Å
21	I	65.2	Low	56.7	Low	84 Å²	84	101.5 Å²	101.5	43%	0.431	50%	0.504	S	S	.	.	H	α-helix	trans	-65.9	-42.9	174.1	-69.2	166.9	0	0	0	110.2	I17 W18 A24 Y25	I17-I21 HydrophobicContact CG2-CD1 3.79Å; I17-I21 HydrophobicContact CG2-CG1 4.44Å; I17-I21 WeakPolarHBondContact O-CB 3.26Å; I17-I21 VanDerWaalsContact O-CG1 3.22Å; I17-I21 WeakPolarHBondContact O-CG1 3.37Å; I17-I21 PolarHBondContact O-N 2.54Å; W18-I21 HydrophobicContact CE3-CD1 4.26Å; W18-I21 HydrophobicContact CZ3-CD1 4.46Å; W18-I21 PolarHBondContact O-N 3.29Å; I21-A24 PolarHBondContact O-N 3.5Å; I21-Y25 WeakPolarHBondContact O-CB 3.27Å; I21-Y25 PolarHBondContact O-N 3.32Å
22	L	59.8	Low	56.2	Low	100 Å²	100	103.3 Å²	103.3	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-41.4	176.8	-163.6	89.3	0	0	0	110.8	W18 L19 Y25 L26	W18-L22 WeakPolarHBondContact O-CB 3.29Å; W18-L22 PolarHBondContact O-N 3.44Å; L19-L22 PolarHBondContact O-N 2.7Å; L22-Y25 PolarHBondContact O-N 3.42Å; L22-L26 HydrophobicContact CD2-CD1 4.08Å; L22-L26 HydrophobicContact CG-CD1 4.05Å; L22-L26 HydrophobicContact CG-CG 4.47Å; L22-L26 VanDerWaalsContact O-CB 3.25Å; L22-L26 WeakPolarHBondContact O-CB 3.19Å; L22-L26 WeakPolarHBondContact O-CD1 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.5Å
23	L	67.3	Low	56.1	Low	101 Å²	101	102.9 Å²	102.9	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-46.4	175.5	-162.4	85	0	0	0	110.4	L19 L20 Y25 L26 L27	L19-L23 WeakPolarHBondContact O-CB 3.36Å; L19-L23 PolarHBondContact O-N 3Å; L20-L23 PolarHBondContact O-N 3.48Å; L23-Y25 VanDerWaalsContact C-N 3.31Å; L23-Y25 PolarHBondContact O-N 3.29Å; L23-L26 PolarHBondContact O-N 3.34Å; L23-L27 HydrophobicContact CD2-CD1 4.32Å; L23-L27 HydrophobicContact CG-CD1 4.12Å; L23-L27 VanDerWaalsContact O-CB 3.25Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 WeakPolarHBondContact O-CD1 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 2.97Å
24	A	62.5	Low	56	Low	54 Å²	54	103 Å²	103	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-39.6	174.8	0	0	0	0	0	111.7	L20 I21 Q28	L20-A24 WeakPolarHBondContact O-CB 3.28Å; L20-A24 PolarHBondContact O-N 2.97Å; I21-A24 PolarHBondContact O-N 3.5Å; A24-Q28 WeakPolarHBondContact O-CB 3.3Å; A24-Q28 PolarHBondContact O-N 3.31Å
25	Y	61.1	Low	55.7	Low	155 Å²	155	104.8 Å²	104.8	61%	0.608	54%	0.539	S	S	*	.	H	α-helix	trans	-72.1	-36.9	178.2	-161.5	-94.8	0	0	0	112.4	I21 L22 L23 Q28 R29	I21-Y25 WeakPolarHBondContact O-CB 3.27Å; I21-Y25 PolarHBondContact O-N 3.32Å; L22-Y25 PolarHBondContact O-N 3.42Å; L23-Y25 VanDerWaalsContact C-N 3.31Å; L23-Y25 PolarHBondContact O-N 3.29Å; Y25-Q28 PolarHBondContact O-N 2.97Å; Y25-R29 WeakPolarHBondContact O-CB 3.41Å; Y25-R29 PolarHBondContact O-N 3.26Å
26	L	53.8	Low	55.2	Low	79 Å²	79	104.2 Å²	104.2	41%	0.414	53%	0.531	S	S	.	.	H	α-helix	trans	-69.2	-40.1	173.5	-73.8	167.7	0	0	0	111.1	L22 L23 R29 N30	L22-L26 HydrophobicContact CD2-CD1 4.08Å; L22-L26 HydrophobicContact CG-CD1 4.05Å; L22-L26 HydrophobicContact CG-CG 4.47Å; L22-L26 VanDerWaalsContact O-CB 3.25Å; L22-L26 WeakPolarHBondContact O-CB 3.19Å; L22-L26 WeakPolarHBondContact O-CD1 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.5Å; L23-L26 PolarHBondContact O-N 3.34Å; L26-R29 PolarHBondContact O-N 3.4Å; L26-N30 WeakPolarHBondContact O-CB 3.12Å; L26-N30 VanDerWaalsContact O-CG 3.28Å; L26-N30 PolarHBondContact O-N 3.01Å; L26-N30 PolarHBondContact O-ND2 3.13Å
27	L	55.8	Low	54.7	Low	78 Å²	78	103.6 Å²	103.6	41%	0.408	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-45.6	171.8	-72.7	166.1	0	0	0	110.5	L23 R29 N30 V31	L23-L27 HydrophobicContact CD2-CD1 4.32Å; L23-L27 HydrophobicContact CG-CD1 4.12Å; L23-L27 VanDerWaalsContact O-CB 3.25Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 WeakPolarHBondContact O-CD1 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 2.97Å; L27-R29 PolarHBondContact O-N 2.75Å; L27-N30 PolarHBondContact O-N 3.26Å; L27-V31 WeakPolarHBondContact O-CB 3.4Å; L27-V31 WeakPolarHBondContact O-CG2 3.26Å; L27-V31 PolarHBondContact O-N 3.38Å
28	Q	52.5	Low	54.3	Low	113 Å²	113	103.5 Å²	103.5	53%	0.528	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-38.2	176.6	-169.6	175.9	11.1	0	0	112.1	A24 Y25 V31 N32	A24-Q28 WeakPolarHBondContact O-CB 3.3Å; A24-Q28 PolarHBondContact O-N 3.31Å; Y25-Q28 PolarHBondContact O-N 2.97Å; Q28-V31 PolarHBondContact O-N 2.83Å; Q28-N32 WeakPolarHBondContact O-CB 3.34Å; Q28-N32 VanDerWaalsContact O-CG 3.3Å; Q28-N32 PolarHBondContact O-N 3.27Å; Q28-N32 PolarHBondContact O-ND2 3.24Å
29	R	48.9	Very low	54.3	Low	171 Å²	171	101.5 Å²	101.5	65%	0.645	54%	0.536	S	S	*	.	H	α-helix	trans	-66.1	-40.1	174.4	-175	178.5	172.8	-179.6	-2.2	111.6	Y25 L26 L27 N32 S33	Y25-R29 WeakPolarHBondContact O-CB 3.41Å; Y25-R29 PolarHBondContact O-N 3.26Å; L26-R29 PolarHBondContact O-N 3.4Å; L27-R29 PolarHBondContact O-N 2.75Å; R29-N32 CarbonylContact O-C 3.58Å; R29-N32 PolarHBondContact O-N 3.06Å; R29-S33 VanDerWaalsContact O-CB 3.29Å; R29-S33 WeakPolarHBondContact O-CB 3.46Å; R29-S33 PolarHBondContact O-N 2.94Å; R29-S33 PolarHBondContact O-OG 3.15Å
30	N	50.8	Low	54.9	Low	82 Å²	82	101.2 Å²	101.2	44%	0.439	55%	0.548	S	S	.	.	H	α-helix	trans	-71.3	-32.4	175.5	-74.3	-24.3	0	0	0	112.7	L26 L27 S33 M36	L26-N30 WeakPolarHBondContact O-CB 3.12Å; L26-N30 VanDerWaalsContact O-CG 3.28Å; L26-N30 PolarHBondContact O-N 3.01Å; L26-N30 PolarHBondContact O-ND2 3.13Å; L27-N30 PolarHBondContact O-N 3.26Å; N30-S33 WeakPolarHBondContact CA-OG 3.37Å; N30-S33 PolarHBondContact O-N 3.46Å; N30-S33 PolarHBondContact O-OG 3.49Å; N30-M36 HydrophobicContact CB-CE 4.35Å
31	V	50.6	Low	55.6	Low	66 Å²	66	97.3 Å²	97.3	40%	0.4	53%	0.533	S	S	.	.	H	α-helix	trans	-67.1	-38.6	171.1	169.6	0	0	0	0	110.9	L27 Q28 Y258	L27-V31 WeakPolarHBondContact O-CB 3.4Å; L27-V31 WeakPolarHBondContact O-CG2 3.26Å; L27-V31 PolarHBondContact O-N 3.38Å; Q28-V31 PolarHBondContact O-N 2.83Å; V31-Y258 HydrophobicContact CG1-CE1 4.49Å; V31-Y258 HydrophobicContact CG2-CE1 4.11Å
32	N	46.3	Very low	56.7	Low	126 Å²	126	95 Å²	95	67%	0.674	52%	0.521	S	S	*	.	H	α-helix	trans	-80.5	-17.3	177	-72.8	-16.2	0	0	0	113.7	Q28 R29 G34	Q28-N32 WeakPolarHBondContact O-CB 3.34Å; Q28-N32 VanDerWaalsContact O-CG 3.3Å; Q28-N32 PolarHBondContact O-N 3.27Å; Q28-N32 PolarHBondContact O-ND2 3.24Å; R29-N32 CarbonylContact O-C 3.58Å; R29-N32 PolarHBondContact O-N 3.06Å; N32-G34 VanDerWaalsContact C-N 3.31Å; N32-G34 PolarHBondContact O-N 3.05Å
33	S	46.6	Very low	58.2	Low	67 Å²	67	93.4 Å²	93.4	47%	0.469	52%	0.517	S	S	.	.	S	Bend	trans	-93.8	50.7	178	73.9	0	0	0	0	112.2	R29 N30 H35	R29-S33 VanDerWaalsContact O-CB 3.29Å; R29-S33 WeakPolarHBondContact O-CB 3.46Å; R29-S33 PolarHBondContact O-N 2.94Å; R29-S33 PolarHBondContact O-OG 3.15Å; N30-S33 WeakPolarHBondContact CA-OG 3.37Å; N30-S33 PolarHBondContact O-N 3.46Å; N30-S33 PolarHBondContact O-OG 3.49Å; S33-H35 VanDerWaalsContact C-N 3.28Å; S33-H35 PolarHBondContact O-N 3.37Å
34	G	50.4	Low	59.5	Low	61 Å²	61	88.8 Å²	88.8	63%	0.629	49%	0.493	S	S	*	.	S	Bend	trans	41.6	4.5	149.4	0	0	0	0	0	124.2	N32	N32-G34 VanDerWaalsContact C-N 3.31Å; N32-G34 PolarHBondContact O-N 3.05Å
35	H	48.5	Very low	60.8	Low	186 Å²	186	86.2 Å²	86.2	86%	0.861	47%	0.471	S	S	*	.			trans	-151.3	55.6	-174.3	-72.8	86.6	0	0	0	113.3	S33	S33-H35 VanDerWaalsContact C-N 3.28Å; S33-H35 PolarHBondContact O-N 3.37Å
36	M	44.8	Very low	62.3	Low	78 Å²	78	83.6 Å²	83.6	38%	0.384	46%	0.463	S	S	.	.	S	Bend	trans	-98.6	135.9	146.9	-86.9	-162.9	-89.6	0	0	108.1	N30 T38	N30-M36 HydrophobicContact CB-CE 4.35Å; M36-T38 PolarHBondContact O-N 3.1Å
37	P	48.1	Very low	64.3	Low	92 Å²	92	81.4 Å²	81.4	60%	0.597	45%	0.452	S	S	*	.			trans	-60.1	107	173.7	0.1	6	0	0	0	108.8
38	T	50.2	Low	66.3	Low	92 Å²	92	79.9 Å²	79.9	56%	0.564	44%	0.444	S	S	*	.	B	Isolated β-bridge	trans	-89.5	122.7	178.5	42.7	0	0	0	0	108.3	M36 Q262	M36-T38 PolarHBondContact O-N 3.1Å; T38-Q262 VanDerWaalsContact CG2-OE1 3.26Å
39	K	61.1	Low	68.4	Low	127 Å²	127	74.6 Å²	74.6	55%	0.552	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-78.6	132.7	155	-116.2	176.6	178.1	175.4	0	105.9	A41 S287	K39-A41 PolarHBondContact O-N 3.24Å; K39-S287 PolarHBondContact NZ-OG 3.07Å; K39-S287 VanDerWaalsContact NZ-OG 3.13Å
40	A	68.5	Low	70.8	Confident	97 Å²	97	67 Å²	67	80%	0.802	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-55.7	130	168.7	0	0	0	0	0	108.1	D42	A40-D42 PolarHBondContact O-N 3.09Å
41	A	74.9	Confident	73	Confident	35 Å²	35	67.4 Å²	67.4	29%	0.289	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-59.1	138.1	177.1	0	0	0	0	0	109.3	K39 F46 N290	K39-A41 PolarHBondContact O-N 3.24Å; A41-F46 HydrophobicContact CB-CE2 3.84Å; A41-F46 HydrophobicContact CB-CZ 4.18Å; A41-N290 WeakPolarHBondContact CA-ND2 3.46Å
42	D	87.4	Confident	75.3	Confident	34 Å²	34	64.2 Å²	64.2	18%	0.182	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-59.2	130.3	178.2	-171.8	-58.8	0	0	0	108	A40 E44 A45 R288 N290 V291	A40-D42 PolarHBondContact O-N 3.09Å; D42-E44 PolarHBondContact O-N 2.91Å; D42-E44 VanDerWaalsContact O-N 3.11Å; D42-E44 VanDerWaalsContact OD1-CB 3.25Å; D42-E44 WeakPolarHBondContact OD1-CB 3.46Å; D42-E44 WeakPolarHBondContact OD1-CG 3.4Å; D42-E44 PolarHBondContact OD1-N 2.95Å; D42-A45 VanDerWaalsContact O-CB 3.24Å; D42-A45 WeakPolarHBondContact O-CB 3.36Å; D42-A45 PolarHBondContact O-N 3.07Å; D42-R288 IonicContact OD1-NH2 3.6Å; D42-R288 PolarHBondContact OD1-NH2 3.22Å; D42-R288 IonicContact OD2-CZ 3.25Å; D42-R288 VanDerWaalsContact OD2-CZ 3.29Å; D42-R288 IonicContact OD2-NH1 2.65Å; D42-R288 PolarHBondContact OD2-NH1 3.25Å; D42-R288 IonicContact OD2-NH2 3.85Å; D42-R288 PolarHBondContact OD2-NH2 3.13Å; D42-R288 VanDerWaalsContact OD2-NH2 3.13Å; D42-N290 PolarHBondContact N-ND2 3.45Å; D42-V291 HydrophobicContact CB-CG2 3.62Å
43	P	91.7	Very high	77.8	Confident	67 Å²	67	58.2 Å²	58.2	44%	0.435	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-60.8	-25.8	-174	28.7	-38.4	0	0	0	112	A45 F46 M47	P43-A45 PolarHBondContact O-N 3.2Å; P43-F46 PolarHBondContact O-N 3.38Å; P43-M47 HydrophobicContact CB-CE 3.8Å; P43-M47 HydrophobicContact CG-CE 4.26Å; P43-M47 WeakPolarHBondContact O-CG 3.45Å
44	E	94.9	Very high	80.3	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.019	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-63.4	-20.6	176.5	-65.7	166	-132.3	0	0	113.1	D42 F46 M47 I52 H55 K56 R288 V291 H295	D42-E44 PolarHBondContact O-N 2.91Å; D42-E44 VanDerWaalsContact O-N 3.11Å; D42-E44 VanDerWaalsContact OD1-CB 3.25Å; D42-E44 WeakPolarHBondContact OD1-CB 3.46Å; D42-E44 WeakPolarHBondContact OD1-CG 3.4Å; D42-E44 PolarHBondContact OD1-N 2.95Å; E44-F46 PolarHBondContact O-N 3.09Å; E44-M47 HydrophobicContact CG-SD 4.25Å; E44-M47 PolarHBondContact O-N 3.4Å; E44-I52 HydrophobicContact CB-CG1 4.23Å; E44-I52 HydrophobicContact CG-CG1 4.37Å; E44-I52 HydrophobicContact CG-CG2 4.45Å; E44-H55 IonicContact OE1-CD2 3.88Å; E44-K56 VanDerWaalsContact OE1-CE 3.24Å; E44-K56 WeakPolarHBondContact OE1-CE 3.24Å; E44-K56 IonicContact OE1-NZ 2.75Å; E44-K56 PolarHBondContact OE1-NZ 3.44Å; E44-K56 WeakPolarHBondContact OE2-CE 3.43Å; E44-K56 IonicContact OE2-NZ 3.7Å; E44-K56 PolarHBondContact OE2-NZ 2.97Å; E44-R288 IonicContact OE1-NH2 2.71Å; E44-R288 PolarHBondContact OE1-NH2 3.4Å; E44-R288 VanDerWaalsContact OE1-NH2 3.14Å; E44-R288 IonicContact OE2-CZ 3.84Å; E44-R288 IonicContact OE2-NH2 2.79Å; E44-R288 PolarHBondContact OE2-NH2 2.82Å; E44-V291 HydrophobicContact CB-CG1 4.27Å; E44-V291 HydrophobicContact CB-CG2 4.27Å; E44-H295 PolarHBondContact O-NE2 3.29Å
45	A	90.9	Very high	82.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64	-19.2	173.6	0	0	0	0	0	112.7	D42 P43 I257 V291 A294	D42-A45 VanDerWaalsContact O-CB 3.24Å; D42-A45 WeakPolarHBondContact O-CB 3.36Å; D42-A45 PolarHBondContact O-N 3.07Å; P43-A45 PolarHBondContact O-N 3.2Å; A45-I257 HydrophobicContact CB-CG2 3.82Å; A45-V291 HydrophobicContact CB-CG2 4.39Å; A45-A294 HydrophobicContact CB-CB 3.92Å; A45-A294 WeakPolarHBondContact O-CB 3.44Å
46	F	92.1	Very high	84.8	Confident	100 Å²	100	55.9 Å²	55.9	44%	0.439	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-112.4	1.8	-179.3	-54.2	-69.2	0	0	0	113.5	A41 P43 E44 I257	A41-F46 HydrophobicContact CB-CE2 3.84Å; A41-F46 HydrophobicContact CB-CZ 4.18Å; P43-F46 PolarHBondContact O-N 3.38Å; E44-F46 PolarHBondContact O-N 3.09Å; F46-I257 HydrophobicContact CD1-CD1 4.34Å; F46-I257 HydrophobicContact CE1-CB 4.23Å; F46-I257 HydrophobicContact CE1-CD1 4.06Å; F46-I257 HydrophobicContact CE1-CG2 3.55Å; F46-I257 HydrophobicContact CE2-CG2 4.36Å; F46-I257 HydrophobicContact CZ-CG2 3.47Å; F46-I257 VanDerWaalsContact CZ-CG2 3.47Å
47	M	95.6	Very high	87.3	Confident	34 Å²	34	54.6 Å²	54.6	17%	0.167	31%	0.31	C	S	.	.			trans	-91.9	148.3	-178.6	-70.4	-175.2	-165.4	0	0	111.6	P43 E44 E51 I52 H55 H295	P43-M47 HydrophobicContact CB-CE 3.8Å; P43-M47 HydrophobicContact CG-CE 4.26Å; P43-M47 WeakPolarHBondContact O-CG 3.45Å; E44-M47 HydrophobicContact CG-SD 4.25Å; E44-M47 PolarHBondContact O-N 3.4Å; M47-E51 VanDerWaalsContact CA-OE2 3.3Å; M47-E51 WeakPolarHBondContact CA-OE2 3.2Å; M47-E51 HydrophobicContact CB-CB 3.7Å; M47-E51 HydrophobicContact CG-CB 3.95Å; M47-E51 HydrophobicContact SD-CB 4.2Å; M47-I52 HydrophobicContact CB-CD1 4.49Å; M47-I52 HydrophobicContact CB-CG1 3.64Å; M47-I52 HydrophobicContact SD-CG1 4.43Å; M47-H55 HydrophobicContact CE-CB 4Å; M47-H55 HydrophobicContact SD-CB 3.69Å; M47-H295 PolarHBondContact O-CE1 2.82Å
48	N	96.4	Very high	89.7	Confident	46 Å²	46	50.6 Å²	50.6	25%	0.246	28%	0.283	C	S	.	.			trans	-75.3	171.3	161.6	69.1	54	0	0	0	111.3	S50 E51 I52 W137	N48-S50 VanDerWaalsContact C-N 3.33Å; N48-S50 PolarHBondContact O-N 2.94Å; N48-S50 WeakPolarHBondContact OD1-CA 3.35Å; N48-S50 WeakPolarHBondContact OD1-CB 3.45Å; N48-S50 PolarHBondContact OD1-N 2.88Å; N48-E51 PolarHBondContact N-OE2 3.03Å; N48-E51 PolarHBondContact ND2-OE1 2.83Å; N48-E51 PolarHBondContact ND2-OE2 2.79Å; N48-E51 VanDerWaalsContact ND2-OE2 3.16Å; N48-E51 WeakPolarHBondContact O-CB 3.44Å; N48-E51 PolarHBondContact O-N 3Å; N48-E51 VanDerWaalsContact O-N 3.13Å; N48-E51 PolarHBondContact OD1-N 2.92Å; N48-I52 WeakPolarHBondContact O-CG1 3.19Å; N48-I52 PolarHBondContact O-N 3.15Å; N48-W137 HydrophobicContact CB-CH2 3.32Å; N48-W137 HydrophobicContact CB-CZ2 4.03Å; N48-W137 HydrophobicContact CB-CZ3 3.72Å
49	V	97.8	Very high	92	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-55.8	-45.4	-177.5	173.3	0	0	0	0	112.3	E51 I52 I53 N76 A104 I108	V49-E51 PolarHBondContact O-N 2.96Å; V49-I52 PolarHBondContact O-N 2.94Å; V49-I53 HydrophobicContact CG1-CD1 3.98Å; V49-I53 WeakPolarHBondContact O-CD1 3.49Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.29Å; V49-I53 PolarHBondContact O-N 3.27Å; V49-N76 HydrophobicContact CG1-CB 3.8Å; V49-N76 VanDerWaalsContact CG1-CG 3.41Å; V49-N76 WeakPolarHBondContact CG1-OD1 3.49Å; V49-A104 HydrophobicContact CG1-CB 4.11Å; V49-A104 HydrophobicContact CG2-CB 4.16Å; V49-I108 HydrophobicContact CG1-CD1 3.78Å
50	S	98.3	Very high	93.8	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-34.4	179	-84.1	0	0	0	0	113.2	N48 K54 S60 N76	N48-S50 VanDerWaalsContact C-N 3.33Å; N48-S50 PolarHBondContact O-N 2.94Å; N48-S50 WeakPolarHBondContact OD1-CA 3.35Å; N48-S50 WeakPolarHBondContact OD1-CB 3.45Å; N48-S50 PolarHBondContact OD1-N 2.88Å; S50-K54 WeakPolarHBondContact O-CB 3.3Å; S50-K54 VanDerWaalsContact O-CG 3.29Å; S50-K54 WeakPolarHBondContact O-CG 3.5Å; S50-K54 PolarHBondContact O-N 2.99Å; S50-K54 VanDerWaalsContact O-N 3.08Å; S50-S60 WeakPolarHBondContact CA-OG 3.24Å; S50-S60 WeakPolarHBondContact CB-OG 3.32Å; S50-S60 PolarHBondContact OG-OG 2.84Å; S50-N76 PolarHBondContact OG-OD1 2.78Å
51	E	98.5	Very high	95.2	Very high	91 Å²	91	41.8 Å²	41.8	43%	0.425	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-41.9	173.6	-74.7	167.7	165.4	0	0	111.4	M47 N48 V49 I53 K54 H55	M47-E51 VanDerWaalsContact CA-OE2 3.3Å; M47-E51 WeakPolarHBondContact CA-OE2 3.2Å; M47-E51 HydrophobicContact CB-CB 3.7Å; M47-E51 HydrophobicContact CG-CB 3.95Å; M47-E51 HydrophobicContact SD-CB 4.2Å; N48-E51 PolarHBondContact N-OE2 3.03Å; N48-E51 PolarHBondContact ND2-OE1 2.83Å; N48-E51 PolarHBondContact ND2-OE2 2.79Å; N48-E51 VanDerWaalsContact ND2-OE2 3.16Å; N48-E51 WeakPolarHBondContact O-CB 3.44Å; N48-E51 PolarHBondContact O-N 3Å; N48-E51 VanDerWaalsContact O-N 3.13Å; N48-E51 PolarHBondContact OD1-N 2.92Å; V49-E51 PolarHBondContact O-N 2.96Å; E51-I53 PolarHBondContact O-N 2.97Å; E51-K54 PolarHBondContact O-N 3.21Å; E51-H55 WeakPolarHBondContact O-CB 3.49Å; E51-H55 PolarHBondContact O-N 2.88Å
52	I	98.5	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.4	-48.1	174.6	-64.1	169.9	0	0	0	110.1	E44 M47 N48 V49 K54 H55 K56 I108	E44-I52 HydrophobicContact CB-CG1 4.23Å; E44-I52 HydrophobicContact CG-CG1 4.37Å; E44-I52 HydrophobicContact CG-CG2 4.45Å; M47-I52 HydrophobicContact CB-CD1 4.49Å; M47-I52 HydrophobicContact CB-CG1 3.64Å; M47-I52 HydrophobicContact SD-CG1 4.43Å; N48-I52 WeakPolarHBondContact O-CG1 3.19Å; N48-I52 PolarHBondContact O-N 3.15Å; V49-I52 PolarHBondContact O-N 2.94Å; I52-K54 PolarHBondContact O-N 3.01Å; I52-H55 PolarHBondContact O-N 3.46Å; I52-K56 WeakPolarHBondContact O-CG 3.48Å; I52-K56 PolarHBondContact O-N 2.95Å; I52-I108 HydrophobicContact CB-CD1 3.99Å; I52-I108 HydrophobicContact CG2-CD1 3.82Å; I52-I108 HydrophobicContact CG2-CG1 4.33Å
53	I	98.7	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-49	179.1	-65.8	163.2	0	0	0	110.7	V49 E51 K56 G57 Y58 P59 S60 I78 I108 F118 M129	V49-I53 HydrophobicContact CG1-CD1 3.98Å; V49-I53 WeakPolarHBondContact O-CD1 3.49Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.29Å; V49-I53 PolarHBondContact O-N 3.27Å; E51-I53 PolarHBondContact O-N 2.97Å; I53-K56 PolarHBondContact O-N 2.91Å; I53-G57 PolarHBondContact O-N 2.98Å; I53-Y58 PolarHBondContact O-N 3.21Å; I53-Y58 VanDerWaalsContact O-N 3.09Å; I53-P59 WeakPolarHBondContact CG2-O 3.39Å; I53-S60 WeakPolarHBondContact CD1-OG 3.4Å; I53-I78 HydrophobicContact CD1-CD1 4.25Å; I53-I78 HydrophobicContact CD1-CG1 3.9Å; I53-I78 HydrophobicContact CG1-CD1 4.09Å; I53-I78 HydrophobicContact CG1-CG1 4.18Å; I53-I78 HydrophobicContact CG2-CD1 4.19Å; I53-I78 HydrophobicContact CG2-CG1 3.88Å; I53-I108 HydrophobicContact CD1-CD1 4.22Å; I53-I108 HydrophobicContact CG1-CD1 3.67Å; I53-F118 HydrophobicContact CG1-CE1 4.37Å; I53-F118 HydrophobicContact CG2-CE1 4.44Å; I53-M129 HydrophobicContact CD1-CE 3.73Å
54	K	98.4	Very high	97.2	Very high	133 Å²	133	47.3 Å²	47.3	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-66.1	-37.5	178.5	-71.1	172.7	-173.7	174.2	0	112.3	S50 E51 I52 K56 G57	S50-K54 WeakPolarHBondContact O-CB 3.3Å; S50-K54 VanDerWaalsContact O-CG 3.29Å; S50-K54 WeakPolarHBondContact O-CG 3.5Å; S50-K54 PolarHBondContact O-N 2.99Å; S50-K54 VanDerWaalsContact O-N 3.08Å; E51-K54 PolarHBondContact O-N 3.21Å; I52-K54 PolarHBondContact O-N 3.01Å; K54-K56 VanDerWaalsContact C-N 3.25Å; K54-K56 PolarHBondContact O-N 3.35Å; K54-G57 WeakPolarHBondContact O-CA 3.29Å; K54-G57 PolarHBondContact O-N 3.22Å
55	H	97.6	Very high	97.4	Very high	98 Å²	98	47.4 Å²	47.4	45%	0.454	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-34.9	177.1	-178	65.1	0	0	0	111.7	E44 M47 E51 I52 G57	E44-H55 IonicContact OE1-CD2 3.88Å; M47-H55 HydrophobicContact CE-CB 4Å; M47-H55 HydrophobicContact SD-CB 3.69Å; E51-H55 WeakPolarHBondContact O-CB 3.49Å; E51-H55 PolarHBondContact O-N 2.88Å; I52-H55 PolarHBondContact O-N 3.46Å; H55-G57 PolarHBondContact O-N 2.98Å
56	K	97.3	Very high	97.7	Very high	34 Å²	34	49.8 Å²	49.8	15%	0.148	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.3	171.9	-60.5	-53.8	-165.4	-172.6	0	114.1	E44 I52 I53 K54 Y58 N110 P112 F118	E44-K56 VanDerWaalsContact OE1-CE 3.24Å; E44-K56 WeakPolarHBondContact OE1-CE 3.24Å; E44-K56 IonicContact OE1-NZ 2.75Å; E44-K56 PolarHBondContact OE1-NZ 3.44Å; E44-K56 WeakPolarHBondContact OE2-CE 3.43Å; E44-K56 IonicContact OE2-NZ 3.7Å; E44-K56 PolarHBondContact OE2-NZ 2.97Å; I52-K56 WeakPolarHBondContact O-CG 3.48Å; I52-K56 PolarHBondContact O-N 2.95Å; I53-K56 PolarHBondContact O-N 2.91Å; K54-K56 VanDerWaalsContact C-N 3.25Å; K54-K56 PolarHBondContact O-N 3.35Å; K56-Y58 HydrophobicContact CB-CD2 3.91Å; K56-Y58 HydrophobicContact CB-CE2 4.23Å; K56-Y58 WeakPolarHBondContact O-CD2 3.43Å; K56-N110 WeakPolarHBondContact CE-O 3.47Å; K56-P112 HydrophobicContact CB-CG 4.07Å; K56-P112 HydrophobicContact CD-CG 4.1Å; K56-P112 HydrophobicContact CG-CG 4.21Å; K56-F118 HydrophobicContact CB-CE1 4.12Å; K56-F118 HydrophobicContact CB-CE2 4.39Å; K56-F118 HydrophobicContact CB-CZ 3.86Å; K56-F118 HydrophobicContact CG-CE1 4.4Å; K56-F118 HydrophobicContact CG-CE2 3.87Å; K56-F118 HydrophobicContact CG-CZ 3.64Å
57	G	97.4	Very high	98.1	Very high	51 Å²	51	45.1 Å²	45.1	53%	0.526	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	0.4	177.1	0	0	0	0	0	115.5	I53 K54 H55 L82	I53-G57 PolarHBondContact O-N 2.98Å; K54-G57 WeakPolarHBondContact O-CA 3.29Å; K54-G57 PolarHBondContact O-N 3.22Å; H55-G57 PolarHBondContact O-N 2.98Å; G57-L82 WeakPolarHBondContact O-CD2 3.44Å
58	Y	98.1	Very high	98.2	Very high	8 Å²	8	51.7 Å²	51.7	3%	0.031	27%	0.269	C	S	.	.			trans	-83.6	151.5	-176.8	-71.2	-105.1	0	0	0	111.5	I53 K56 I78 L82 P112 F118 A121 D122	I53-Y58 PolarHBondContact O-N 3.21Å; I53-Y58 VanDerWaalsContact O-N 3.09Å; K56-Y58 HydrophobicContact CB-CD2 3.91Å; K56-Y58 HydrophobicContact CB-CE2 4.23Å; K56-Y58 WeakPolarHBondContact O-CD2 3.43Å; Y58-I78 HydrophobicContact CD1-CG2 3.9Å; Y58-I78 HydrophobicContact CG-CG2 4.4Å; Y58-L82 HydrophobicContact CD1-CD2 4.25Å; Y58-L82 HydrophobicContact CD1-CG 4.06Å; Y58-L82 HydrophobicContact CD2-CD1 4.11Å; Y58-L82 HydrophobicContact CD2-CD2 4.19Å; Y58-L82 HydrophobicContact CD2-CG 4.06Å; Y58-L82 HydrophobicContact CE1-CD1 4.46Å; Y58-L82 HydrophobicContact CE1-CD2 4.48Å; Y58-L82 HydrophobicContact CE1-CG 3.79Å; Y58-L82 HydrophobicContact CE2-CD1 3.59Å; Y58-L82 HydrophobicContact CE2-CD2 4.4Å; Y58-L82 HydrophobicContact CE2-CG 3.77Å; Y58-L82 HydrophobicContact CG-CD2 4.09Å; Y58-L82 HydrophobicContact CG-CG 4.18Å; Y58-P112 HydrophobicContact CE2-CB 3.95Å; Y58-P112 HydrophobicContact CE2-CG 4.07Å; Y58-P112 WeakPolarHBondContact OH-CB 3.25Å; Y58-F118 AromaticContact CD1-CD1 3.9Å; Y58-F118 HydrophobicContact CD1-CD1 3.9Å; Y58-F118 AromaticContact CD2-CD1 3.43Å; Y58-F118 HydrophobicContact CD2-CD1 3.43Å; Y58-F118 VanDerWaalsContact CD2-CD1 3.43Å; Y58-F118 AromaticContact CD2-CE1 3.57Å; Y58-F118 HydrophobicContact CD2-CE1 3.57Å; Y58-F118 HydrophobicContact CD2-CG 4.37Å; Y58-F118 HydrophobicContact CE1-CB 4.26Å; Y58-F118 AromaticContact CE1-CD1 3.93Å; Y58-F118 HydrophobicContact CE1-CD1 3.93Å; Y58-F118 HydrophobicContact CE2-CB 4.28Å; Y58-F118 AromaticContact CE2-CD1 3.49Å; Y58-F118 HydrophobicContact CE2-CD1 3.49Å; Y58-F118 VanDerWaalsContact CE2-CD1 3.49Å; Y58-F118 HydrophobicContact CE2-CE1 4.02Å; Y58-F118 HydrophobicContact CE2-CG 4Å; Y58-F118 AromaticContact CG-CD1 3.66Å; Y58-F118 HydrophobicContact CG-CD1 3.66Å; Y58-F118 AromaticContact CG-CE1 3.88Å; Y58-F118 HydrophobicContact CG-CE1 3.88Å; Y58-F118 AromaticContact CZ-CD1 3.75Å; Y58-A121 HydrophobicContact CD1-CB 4.32Å; Y58-A121 HydrophobicContact CE1-CB 4.25Å; Y58-D122 PolarHBondContact OH-OD2 3.41Å
59	P	97.6	Very high	98.3	Very high	47 Å²	47	52 Å²	52	31%	0.305	27%	0.271	S	S	.	.			trans	-65.4	139.1	168.6	28.3	-32.8	0	0	0	110	I53 P79 Q80	I53-P59 WeakPolarHBondContact CG2-O 3.39Å; P59-P79 HydrophobicContact CB-CG 3.89Å; P59-P79 HydrophobicContact CG-CG 3.88Å; P59-Q80 WeakPolarHBondContact CD-O 3.35Å; P59-Q80 HydrophobicContact CG-CG 3.8Å; P59-Q80 VanDerWaalsContact CG-O 3.26Å; P59-Q80 WeakPolarHBondContact CG-O 3.33Å
60	S	98.4	Very high	98.3	Very high	21 Å²	21	52.2 Å²	52.2	15%	0.147	27%	0.273	C	S	.	.			trans	-130.4	130.1	179.7	-163.6	0	0	0	0	110.3	S50 I53	S50-S60 WeakPolarHBondContact CA-OG 3.24Å; S50-S60 WeakPolarHBondContact CB-OG 3.32Å; S50-S60 PolarHBondContact OG-OG 2.84Å; I53-S60 WeakPolarHBondContact CD1-OG 3.4Å
61	E	98.6	Very high	98.4	Very high	63 Å²	63	52.1 Å²	52.1	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.8	169.5	-60.9	173.4	-173.8	0	0	109.3	Y63 R77	E61-Y63 HydrophobicContact CB-CE2 3.69Å; E61-Y63 WeakPolarHBondContact OE2-CE2 3.3Å; E61-Y63 PolarHBondContact OE2-OH 3.3Å; E61-R77 HydrophobicContact CB-CB 4.23Å; E61-R77 PolarHBondContact N-O 2.91Å; E61-R77 PolarHBondContact O-N 2.83Å; E61-R77 IonicContact OE1-NH1 3.41Å; E61-R77 VanDerWaalsContact OE2-CD 3.26Å; E61-R77 WeakPolarHBondContact OE2-CD 3.29Å; E61-R77 IonicContact OE2-CZ 3.41Å; E61-R77 IonicContact OE2-NE 2.74Å; E61-R77 IonicContact OE2-NH1 2.74Å; E61-R77 PolarHBondContact OE2-NH1 3.38Å
62	E	98.3	Very high	98.4	Very high	100 Å²	100	49.4 Å²	49.4	47%	0.467	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.7	175.7	-172.9	176.8	-178.6	0	0	109.4	S74 V75	E62-S74 PolarHBondContact OE1-OG 3.2Å; E62-V75 WeakPolarHBondContact CA-O 3.45Å
63	Y	98.8	Very high	98.4	Very high	39 Å²	39	49.5 Å²	49.5	15%	0.153	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.2	-177.8	-65.3	-80	0	0	0	110.8	E61 V75 R77 W128 F170 K174	E61-Y63 HydrophobicContact CB-CE2 3.69Å; E61-Y63 WeakPolarHBondContact OE2-CE2 3.3Å; E61-Y63 PolarHBondContact OE2-OH 3.3Å; Y63-V75 PolarHBondContact N-O 3.45Å; Y63-V75 PolarHBondContact O-N 3.47Å; Y63-R77 HydrophobicContact CE2-CB 4.32Å; Y63-W128 HydrophobicContact CD2-CE3 4.47Å; Y63-W128 AromaticContact CD2-CH2 3.68Å; Y63-W128 HydrophobicContact CD2-CH2 3.68Å; Y63-W128 AromaticContact CD2-CZ3 3.41Å; Y63-W128 HydrophobicContact CD2-CZ3 3.41Å; Y63-W128 VanDerWaalsContact CD2-CZ3 3.41Å; Y63-W128 AromaticContact CE2-CH2 3.58Å; Y63-W128 HydrophobicContact CE2-CH2 3.58Å; Y63-W128 AromaticContact CE2-CZ3 3.79Å; Y63-W128 HydrophobicContact CE2-CZ3 3.79Å; Y63-W128 HydrophobicContact CG-CH2 4.42Å; Y63-W128 HydrophobicContact CG-CZ3 4.15Å; Y63-F170 AromaticContact CD1-CE1 3.88Å; Y63-F170 HydrophobicContact CD1-CE1 3.88Å; Y63-F170 AromaticContact CD1-CZ 3.52Å; Y63-F170 HydrophobicContact CD1-CZ 3.52Å; Y63-F170 HydrophobicContact CD2-CE1 4.31Å; Y63-F170 HydrophobicContact CE1-CZ 4.28Å; Y63-F170 AromaticContact CG-CE1 3.67Å; Y63-F170 HydrophobicContact CG-CE1 3.67Å; Y63-F170 AromaticContact CG-CZ 3.78Å; Y63-F170 HydrophobicContact CG-CZ 3.78Å; Y63-K174 HydrophobicContact CE1-CD 4.34Å; Y63-K174 VanDerWaalsContact CE1-CE 3.48Å; Y63-K174 WeakPolarHBondContact OH-CE 3.38Å
64	E	98.6	Very high	98.4	Very high	113 Å²	113	49.7 Å²	49.7	53%	0.528	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.6	168.2	-69.2	-168.1	149.4	0	0	109.6	I72 L73 K140	E64-I72 HydrophobicContact CB-CG2 3.77Å; E64-I72 HydrophobicContact CG-CG2 4.14Å; E64-L73 CarbonylContact C-O 3.51Å; E64-L73 WeakPolarHBondContact CA-O 3.48Å; E64-K140 IonicContact OE1-NZ 3.47Å; E64-K140 PolarHBondContact OE1-NZ 2.86Å
65	V	98.8	Very high	98.4	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.8	-179	-178.2	0	0	0	0	109.3	L73 V75 A166 V167 F170	V65-L73 PolarHBondContact N-O 3.09Å; V65-L73 PolarHBondContact O-N 2.65Å; V65-V75 HydrophobicContact CB-CG2 4.29Å; V65-V75 HydrophobicContact CG2-CB 4.45Å; V65-V75 HydrophobicContact CG2-CG2 3.69Å; V65-A166 HydrophobicContact CG1-CB 3.98Å; V65-V167 HydrophobicContact CG1-CG2 4.38Å; V65-F170 HydrophobicContact CG1-CB 3.97Å; V65-F170 HydrophobicContact CG1-CG 4.36Å; V65-F170 HydrophobicContact CG2-CB 4.02Å; V65-F170 HydrophobicContact CG2-CD1 3.61Å; V65-F170 HydrophobicContact CG2-CD2 4.09Å; V65-F170 HydrophobicContact CG2-CE1 4.08Å; V65-F170 HydrophobicContact CG2-CG 3.62Å
66	A	98.8	Very high	98.5	Very high	50 Å²	50	38.9 Å²	38.9	41%	0.413	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.5	177	0	0	0	0	0	111.1	Y71	A66-Y71 CarbonylContact C-O 3.57Å; A66-Y71 VanDerWaalsContact CA-O 3.32Å; A66-Y71 WeakPolarHBondContact CA-O 3.44Å
67	T	98.9	Very high	98.5	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.212	C	C	.	.			trans	-79.3	163.7	169.9	69.1	0	0	0	0	110.9	D69 G70 Y71 L73 A166	T67-D69 VanDerWaalsContact C-N 3.29Å; T67-D69 VanDerWaalsContact CB-OD1 3.27Å; T67-D69 WeakPolarHBondContact CB-OD1 3.34Å; T67-D69 PolarHBondContact O-N 3.22Å; T67-D69 PolarHBondContact OG1-OD1 2.96Å; T67-G70 PolarHBondContact O-N 2.84Å; T67-G70 PolarHBondContact OG1-N 3.39Å; T67-Y71 PolarHBondContact N-O 3.44Å; T67-Y71 WeakPolarHBondContact OG1-CB 3.42Å; T67-Y71 PolarHBondContact OG1-N 3.14Å; T67-Y71 PolarHBondContact OG1-O 3.37Å; T67-L73 HydrophobicContact CG2-CD1 3.64Å; T67-L73 HydrophobicContact CG2-CD2 4.35Å; T67-L73 HydrophobicContact CG2-CG 3.89Å; T67-A166 HydrophobicContact CG2-CB 4.19Å
68	E	98.4	Very high	98.6	Very high	172 Å²	172	36.6 Å²	36.6	80%	0.804	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-42.3	176.3	-173.6	-179.2	162.3	0	0	111.5	G70 F162	E68-G70 VanDerWaalsContact C-N 3.27Å; E68-G70 PolarHBondContact O-N 3.49Å; E68-F162 HydrophobicContact CB-CD1 4.09Å; E68-F162 HydrophobicContact CB-CE1 4.46Å
69	D	98.4	Very high	98.5	Very high	54 Å²	54	37.1 Å²	37.1	29%	0.289	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.1	-179.3	69.1	-35.1	0	0	0	114.2	T67 R133 H141 F162	T67-D69 VanDerWaalsContact C-N 3.29Å; T67-D69 VanDerWaalsContact CB-OD1 3.27Å; T67-D69 WeakPolarHBondContact CB-OD1 3.34Å; T67-D69 PolarHBondContact O-N 3.22Å; T67-D69 PolarHBondContact OG1-OD1 2.96Å; D69-R133 IonicContact OD1-CZ 3.56Å; D69-R133 IonicContact OD1-NH1 3.7Å; D69-R133 IonicContact OD1-NH2 3.51Å; D69-R133 PolarHBondContact OD1-NH2 3.46Å; D69-R133 IonicContact OD2-CZ 2.81Å; D69-R133 IonicContact OD2-NH1 2.83Å; D69-R133 PolarHBondContact OD2-NH1 3.47Å; D69-R133 IonicContact OD2-NH2 3.36Å; D69-R133 PolarHBondContact OD2-NH2 2.57Å; D69-H141 PolarHBondContact O-CE1 3.19Å; D69-H141 VanDerWaalsContact O-CE1 3.3Å; D69-H141 PolarHBondContact O-NE2 2.95Å; D69-F162 HydrophobicContact CB-CD2 4.3Å; D69-F162 HydrophobicContact CB-CE2 4.31Å; D69-F162 HydrophobicContact CB-CG 4.44Å; D69-F162 HydrophobicContact CB-CZ 4.46Å
70	G	98.6	Very high	98.4	Very high	5 Å²	5	38.7 Å²	38.7	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	107.4	0.6	163.6	0	0	0	0	0	116.6	T67 E68 H141 K142	T67-G70 PolarHBondContact O-N 2.84Å; T67-G70 PolarHBondContact OG1-N 3.39Å; E68-G70 VanDerWaalsContact C-N 3.27Å; E68-G70 PolarHBondContact O-N 3.49Å; G70-H141 VanDerWaalsContact C-NE2 3.32Å; G70-H141 CarbonylContact O-C 3.5Å; G70-H141 WeakPolarHBondContact O-CA 3.32Å; G70-H141 PolarHBondContact O-CD2 2.95Å; G70-K142 PolarHBondContact O-N 3.1Å
71	Y	98.9	Very high	98.1	Very high	8 Å²	8	38.2 Å²	38.2	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	150.7	170.2	-70.6	-99.1	0	0	0	110.6	A66 T67 R133 H141 F151 F154	A66-Y71 CarbonylContact C-O 3.57Å; A66-Y71 VanDerWaalsContact CA-O 3.32Å; A66-Y71 WeakPolarHBondContact CA-O 3.44Å; T67-Y71 PolarHBondContact N-O 3.44Å; T67-Y71 WeakPolarHBondContact OG1-CB 3.42Å; T67-Y71 PolarHBondContact OG1-N 3.14Å; T67-Y71 PolarHBondContact OG1-O 3.37Å; Y71-R133 HydrophobicContact CD1-CB 3.63Å; Y71-R133 VanDerWaalsContact CD2-NH1 3.29Å; Y71-R133 HydrophobicContact CE1-CB 4.03Å; Y71-R133 HydrophobicContact CG-CB 4.06Å; Y71-H141 AromaticContact CD2-CD2 3.6Å; Y71-H141 AromaticContact CD2-NE2 3.77Å; Y71-H141 AromaticContact CE2-CD2 3.72Å; Y71-H141 AromaticContact CE2-NE2 3.78Å; Y71-H141 AromaticContact CG-CD2 3.76Å; Y71-H141 PolarHBondContact N-CD2 3.19Å; Y71-F151 HydrophobicContact CD1-CE2 4.33Å; Y71-F151 HydrophobicContact CD1-CZ 4.26Å; Y71-F151 HydrophobicContact CE1-CD2 4.37Å; Y71-F151 HydrophobicContact CE1-CE1 4.29Å; Y71-F151 HydrophobicContact CE1-CE2 4.05Å; Y71-F151 AromaticContact CE1-CZ 3.95Å; Y71-F151 HydrophobicContact CE1-CZ 3.95Å; Y71-F151 PolarHBondContact OH-O 2.54Å; Y71-F154 HydrophobicContact CE1-CD1 4.16Å; Y71-F154 HydrophobicContact CE1-CE1 4.27Å; Y71-F154 AromaticContact CZ-CD1 3.98Å; Y71-F154 WeakPolarHBondContact OH-CD1 3.32Å
72	I	98.9	Very high	97.8	Very high	35 Å²	35	39.5 Å²	39.5	18%	0.179	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.2	174.6	-55.2	171	0	0	0	107.2	E64 K140	E64-I72 HydrophobicContact CB-CG2 3.77Å; E64-I72 HydrophobicContact CG-CG2 4.14Å; I72-K140 HydrophobicContact CB-CB 3.88Å; I72-K140 HydrophobicContact CD1-CB 4.35Å; I72-K140 PolarHBondContact N-O 2.92Å
73	L	98.9	Very high	96.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134	-174.4	-48.9	178.1	0	0	0	110.1	E64 V65 T67 R133 S138 D163 V167	E64-L73 CarbonylContact C-O 3.51Å; E64-L73 WeakPolarHBondContact CA-O 3.48Å; V65-L73 PolarHBondContact N-O 3.09Å; V65-L73 PolarHBondContact O-N 2.65Å; T67-L73 HydrophobicContact CG2-CD1 3.64Å; T67-L73 HydrophobicContact CG2-CD2 4.35Å; T67-L73 HydrophobicContact CG2-CG 3.89Å; L73-R133 HydrophobicContact CD2-CB 4Å; L73-S138 WeakPolarHBondContact CA-OG 3.49Å; L73-D163 HydrophobicContact CD1-CB 3.56Å; L73-V167 HydrophobicContact CD1-CG2 3.87Å
74	S	98.6	Very high	95.2	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.7	169	167	0	0	0	0	109.8	E62 N131 W137 S138	E62-S74 PolarHBondContact OE1-OG 3.2Å; S74-N131 VanDerWaalsContact O-CB 3.25Å; S74-N131 WeakPolarHBondContact O-CB 3.44Å; S74-N131 PolarHBondContact O-ND2 3.1Å; S74-W137 WeakPolarHBondContact CB-O 3.24Å; S74-S138 PolarHBondContact N-OG 2.96Å; S74-S138 VanDerWaalsContact N-OG 3.13Å
75	V	98.9	Very high	93.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.9	177.7	-172.8	0	0	0	0	108.9	E62 Y63 V65 W128 M129 V167	E62-V75 WeakPolarHBondContact CA-O 3.45Å; Y63-V75 PolarHBondContact N-O 3.45Å; Y63-V75 PolarHBondContact O-N 3.47Å; V65-V75 HydrophobicContact CB-CG2 4.29Å; V65-V75 HydrophobicContact CG2-CB 4.45Å; V65-V75 HydrophobicContact CG2-CG2 3.69Å; V75-W128 HydrophobicContact CG1-CE3 3.72Å; V75-W128 HydrophobicContact CG1-CZ3 4.29Å; V75-M129 WeakPolarHBondContact CG1-O 3.34Å; V75-V167 HydrophobicContact CG1-CG1 4.29Å; V75-V167 HydrophobicContact CG2-CG1 4.12Å; V75-V167 HydrophobicContact CG2-CG2 3.88Å
76	N	98.9	Very high	91.5	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	147.4	-178.9	-70.4	-97.5	0	0	0	110.2	V49 S50 W128 M129 N131	V49-N76 HydrophobicContact CG1-CB 3.8Å; V49-N76 VanDerWaalsContact CG1-CG 3.41Å; V49-N76 WeakPolarHBondContact CG1-OD1 3.49Å; S50-N76 PolarHBondContact OG-OD1 2.78Å; N76-W128 CarbonylContact O-C 3.57Å; N76-W128 WeakPolarHBondContact O-CA 3.36Å; N76-M129 HydrophobicContact CB-CB 4.41Å; N76-M129 HydrophobicContact CB-CE 4Å; N76-M129 PolarHBondContact N-O 3Å; N76-M129 PolarHBondContact O-N 2.96Å; N76-N131 PolarHBondContact ND2-ND2 3.29Å
77	R	98.8	Very high	89.6	Confident	38 Å²	38	56.8 Å²	56.8	14%	0.143	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.3	-178.6	-174.9	-160.9	-174.1	-160.2	3.4	112	E61 Y63 P79 D126 V127 W128	E61-R77 HydrophobicContact CB-CB 4.23Å; E61-R77 PolarHBondContact N-O 2.91Å; E61-R77 PolarHBondContact O-N 2.83Å; E61-R77 IonicContact OE1-NH1 3.41Å; E61-R77 VanDerWaalsContact OE2-CD 3.26Å; E61-R77 WeakPolarHBondContact OE2-CD 3.29Å; E61-R77 IonicContact OE2-CZ 3.41Å; E61-R77 IonicContact OE2-NE 2.74Å; E61-R77 IonicContact OE2-NH1 2.74Å; E61-R77 PolarHBondContact OE2-NH1 3.38Å; Y63-R77 HydrophobicContact CE2-CB 4.32Å; R77-P79 WeakPolarHBondContact O-CD 3.29Å; R77-D126 IonicContact CZ-OD1 2.68Å; R77-D126 IonicContact CZ-OD2 3.13Å; R77-D126 IonicContact NE-OD1 3.29Å; R77-D126 PolarHBondContact NE-OD1 3.33Å; R77-D126 IonicContact NE-OD2 3.48Å; R77-D126 PolarHBondContact NE-OD2 3Å; R77-D126 VanDerWaalsContact NH2-CG 3.26Å; R77-D126 IonicContact NH2-OD1 2.65Å; R77-D126 PolarHBondContact NH2-OD1 3.3Å; R77-D126 IonicContact NH2-OD2 3.26Å; R77-D126 PolarHBondContact NH2-OD2 3.14Å; R77-V127 CarbonylContact C-O 3.49Å; R77-V127 VanDerWaalsContact CA-O 3.24Å; R77-V127 WeakPolarHBondContact CA-O 3.43Å; R77-V127 WeakPolarHBondContact CG-O 3.37Å; R77-W128 HydrophobicContact CB-CD2 4.09Å; R77-W128 HydrophobicContact CB-CE3 4.02Å; R77-W128 HydrophobicContact CB-CZ3 4.28Å; R77-W128 HydrophobicContact CG-CD2 3.81Å; R77-W128 HydrophobicContact CG-CE3 4.22Å; R77-W128 HydrophobicContact CG-CG 4.21Å; R77-W128 HydrophobicContact CG-CH2 4.42Å; R77-W128 HydrophobicContact CG-CZ2 4.02Å
78	I	98.6	Very high	87.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	96.1	165.6	-51.4	176.3	0	0	0	107	I53 Y58 Q80 I108 F118 A121 V127 M129	I53-I78 HydrophobicContact CD1-CD1 4.25Å; I53-I78 HydrophobicContact CD1-CG1 3.9Å; I53-I78 HydrophobicContact CG1-CD1 4.09Å; I53-I78 HydrophobicContact CG1-CG1 4.18Å; I53-I78 HydrophobicContact CG2-CD1 4.19Å; I53-I78 HydrophobicContact CG2-CG1 3.88Å; Y58-I78 HydrophobicContact CD1-CG2 3.9Å; Y58-I78 HydrophobicContact CG-CG2 4.4Å; I78-Q80 VanDerWaalsContact C-N 3.26Å; I78-Q80 PolarHBondContact O-N 3.49Å; I78-I108 HydrophobicContact CD1-CG2 4.29Å; I78-F118 HydrophobicContact CD1-CD1 3.83Å; I78-F118 HydrophobicContact CD1-CE1 3.85Å; I78-A121 HydrophobicContact CB-CB 4.33Å; I78-A121 HydrophobicContact CG2-CB 3.61Å; I78-V127 HydrophobicContact CB-CB 4.29Å; I78-V127 PolarHBondContact N-O 3.17Å; I78-V127 PolarHBondContact O-N 3.38Å; I78-M129 HydrophobicContact CD1-CE 4.02Å; I78-M129 HydrophobicContact CG1-CE 3.87Å
79	P	96.5	Very high	86.1	Confident	19 Å²	19	61 Å²	61	12%	0.123	31%	0.313	C	S	.	.			trans	-69.5	-22.7	-170.8	26.1	-35.3	0	0	0	113.9	P59 R77	P59-P79 HydrophobicContact CB-CG 3.89Å; P59-P79 HydrophobicContact CG-CG 3.88Å; R77-P79 WeakPolarHBondContact O-CD 3.29Å
80	Q	94.4	Very high	85.4	Confident	80 Å²	80	62.3 Å²	62.3	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	-160.5	154.3	176.4	62	-178.7	23.9	0	0	111.5	P59 I78	P59-Q80 WeakPolarHBondContact CD-O 3.35Å; P59-Q80 HydrophobicContact CG-CG 3.8Å; P59-Q80 VanDerWaalsContact CG-O 3.26Å; P59-Q80 WeakPolarHBondContact CG-O 3.33Å; I78-Q80 VanDerWaalsContact C-N 3.26Å; I78-Q80 PolarHBondContact O-N 3.49Å
81	G	93.7	Very high	85.1	Confident	10 Å²	10	65.3 Å²	65.3	10%	0.103	34%	0.337	C	S	.	.			trans	-75	178	171.9	0	0	0	0	0	114.3	A121 D122	G81-A121 VanDerWaalsContact CA-C 3.47Å; G81-A121 WeakPolarHBondContact CA-O 3.21Å; G81-A121 PolarHBondContact N-O 2.93Å; G81-A121 VanDerWaalsContact N-O 3.07Å; G81-D122 VanDerWaalsContact CA-OD1 3.29Å; G81-D122 WeakPolarHBondContact CA-OD1 3.28Å
82	L	91.6	Very high	84.9	Confident	90 Å²	90	66.9 Å²	66.9	47%	0.471	35%	0.348	S	S	.	.	S	Bend	trans	-76.5	-30.5	176.4	-58	-178.1	0	0	0	111.7	G57 Y58 Q84 D122	G57-L82 WeakPolarHBondContact O-CD2 3.44Å; Y58-L82 HydrophobicContact CD1-CD2 4.25Å; Y58-L82 HydrophobicContact CD1-CG 4.06Å; Y58-L82 HydrophobicContact CD2-CD1 4.11Å; Y58-L82 HydrophobicContact CD2-CD2 4.19Å; Y58-L82 HydrophobicContact CD2-CG 4.06Å; Y58-L82 HydrophobicContact CE1-CD1 4.46Å; Y58-L82 HydrophobicContact CE1-CD2 4.48Å; Y58-L82 HydrophobicContact CE1-CG 3.79Å; Y58-L82 HydrophobicContact CE2-CD1 3.59Å; Y58-L82 HydrophobicContact CE2-CD2 4.4Å; Y58-L82 HydrophobicContact CE2-CG 3.77Å; Y58-L82 HydrophobicContact CG-CD2 4.09Å; Y58-L82 HydrophobicContact CG-CG 4.18Å; L82-Q84 PolarHBondContact O-N 3.46Å; L82-Q84 VanDerWaalsContact O-N 3.1Å; L82-D122 PolarHBondContact N-OD1 2.88Å
83	T	78.6	Confident	84.9	Confident	83 Å²	83	65.2 Å²	65.2	51%	0.509	34%	0.34	S	S	.	.	S	Bend	trans	-73	106.3	177.5	-50.5	0	0	0	0	108.6	L85 D122	T83-L85 HydrophobicContact CG2-CG 4.29Å; T83-L85 PolarHBondContact O-N 3.02Å; T83-D122 PolarHBondContact N-OD1 3.42Å
84	Q	62.8	Low	84.9	Confident	177 Å²	177	65.2 Å²	65.2	83%	0.827	34%	0.339	S	S	*	.			trans	-70.8	72.2	173.6	-69.2	-171.1	6.8	0	0	110.5	L82 K86	L82-Q84 PolarHBondContact O-N 3.46Å; L82-Q84 VanDerWaalsContact O-N 3.1Å; Q84-K86 PolarHBondContact O-N 3.17Å
85	L	64.1	Low	84.9	Confident	89 Å²	89	65 Å²	65	47%	0.466	34%	0.338	S	S	.	.			trans	-62.6	111	158	-66.1	173.5	0	0	0	105.6	T83 K87	T83-L85 HydrophobicContact CG2-CG 4.29Å; T83-L85 PolarHBondContact O-N 3.02Å; L85-K87 PolarHBondContact O-N 3.02Å
86	K	55.6	Low	84.9	Confident	211 Å²	211	65 Å²	65	92%	0.917	34%	0.338	S	S	*	.			trans	-58.1	84.2	170.1	-74.9	-177	176.5	-178.2	0	108.3	Q84	Q84-K86 PolarHBondContact O-N 3.17Å
87	K	58.8	Low	84.9	Confident	110 Å²	110	65 Å²	65	48%	0.478	34%	0.338	S	S	.	.			trans	-106	108.9	171.2	-99	-173.7	173.2	-179.5	0	107.5	L85	L85-K87 PolarHBondContact O-N 3.02Å
88	E	56.4	Low	84.9	Confident	202 Å²	202	63.4 Å²	63.4	94%	0.944	33%	0.332	S	S	*	.			trans	-74	120.9	161.4	-67.2	178.8	171.9	0	0	107.5
89	G	68	Low	84.9	Confident	60 Å²	60	63.5 Å²	63.5	62%	0.619	33%	0.333	S	S	*	.	S	Bend	trans	123.9	173.5	176	0	0	0	0	0	115.9
90	S	83.1	Confident	84.8	Confident	83 Å²	83	65.2 Å²	65.2	58%	0.58	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-72.9	130.5	179.1	-175.6	0	0	0	0	111.2	Q177	S90-Q177 PolarHBondContact OG-NE2 2.86Å
91	R	92.2	Very high	84.7	Confident	68 Å²	68	62.6 Å²	62.6	26%	0.257	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-74.9	141.3	178.9	-68.3	178.7	178.4	85.3	-5.9	110.1	D126 Q177	R91-D126 HydrophobicContact CB-CB 3.99Å; R91-Q177 PolarHBondContact O-NE2 2.93Å
92	P	95.8	Very high	84.7	Confident	40 Å²	40	62.3 Å²	62.3	26%	0.26	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-64.7	139.3	173.9	-7.9	21.3	0	0	0	109.7	F125 D126 Y181	P92-F125 HydrophobicContact CB-CD1 3.86Å; P92-F125 HydrophobicContact CB-CE1 4.03Å; P92-F125 HydrophobicContact CG-CD1 4.11Å; P92-F125 HydrophobicContact CG-CE1 4.12Å; P92-F125 WeakPolarHBondContact O-CA 3.46Å; P92-D126 PolarHBondContact O-N 2.84Å; P92-Y181 HydrophobicContact CB-CE2 4.05Å
93	V	98.6	Very high	85	Confident	1 Å²	1	58 Å²	58	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137	-174	170	0	0	0	0	110.9	D126 I171 T175 Q177 I180 Y181	V93-D126 WeakPolarHBondContact CA-O 3.48Å; V93-D126 HydrophobicContact CG2-CB 4.03Å; V93-I171 HydrophobicContact CG1-CG2 3.48Å; V93-I171 VanDerWaalsContact CG1-CG2 3.48Å; V93-T175 HydrophobicContact CG2-CG2 3.9Å; V93-Q177 HydrophobicContact CG2-CB 4.43Å; V93-Q177 HydrophobicContact CG2-CG 3.78Å; V93-I180 HydrophobicContact CB-CB 4.25Å; V93-I180 HydrophobicContact CB-CG2 3.82Å; V93-I180 HydrophobicContact CG1-CB 3.92Å; V93-I180 HydrophobicContact CG1-CG2 3.46Å; V93-I180 VanDerWaalsContact CG1-CG2 3.46Å; V93-Y181 PolarHBondContact O-N 2.92Å
94	V	98.9	Very high	85.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.9	173.1	-171.6	0	0	0	0	109.2	L96 L120 F125 D126 W128 Y181 V183 M407	V94-L96 HydrophobicContact CG1-CD2 3.73Å; V94-L120 HydrophobicContact CB-CD1 4.38Å; V94-L120 HydrophobicContact CG1-CD1 3.96Å; V94-F125 HydrophobicContact CG2-CB 3.91Å; V94-F125 HydrophobicContact CG2-CD1 3.58Å; V94-F125 HydrophobicContact CG2-CE1 4.34Å; V94-F125 HydrophobicContact CG2-CG 3.87Å; V94-D126 PolarHBondContact N-O 2.99Å; V94-W128 PolarHBondContact O-N 2.98Å; V94-Y181 WeakPolarHBondContact CA-O 3.43Å; V94-Y181 HydrophobicContact CG2-CD2 4.18Å; V94-V183 HydrophobicContact CG1-CG2 3.75Å; V94-M407 HydrophobicContact CB-CE 4.46Å; V94-M407 HydrophobicContact CG1-CE 3.76Å; V94-M407 HydrophobicContact CG2-CE 3.78Å; V94-M407 HydrophobicContact CG2-SD 3.96Å
95	L	98.9	Very high	87.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.3	169.1	175.7	59.7	0	0	0	109.9	W128 V167 I168 I171 I180 Y181 Y182 V183	L95-W128 CarbonylContact C-O 3.54Å; L95-W128 WeakPolarHBondContact CA-O 3.25Å; L95-W128 HydrophobicContact CD1-CB 4.14Å; L95-V167 HydrophobicContact CD1-CG1 4.07Å; L95-V167 HydrophobicContact CD2-CG1 4.02Å; L95-I168 HydrophobicContact CD2-CG1 3.79Å; L95-I171 HydrophobicContact CD1-CD1 4.01Å; L95-I171 HydrophobicContact CD2-CD1 4.36Å; L95-I180 HydrophobicContact CB-CD1 3.72Å; L95-I180 HydrophobicContact CD2-CD1 4.19Å; L95-Y181 PolarHBondContact N-O 3.3Å; L95-Y182 HydrophobicContact CB-CD2 4.35Å; L95-Y182 HydrophobicContact CD2-CD2 3.99Å; L95-Y182 HydrophobicContact CD2-CE2 4.14Å; L95-Y182 HydrophobicContact CG-CD2 4.15Å; L95-Y182 HydrophobicContact CG-CE2 4.38Å; L95-V183 PolarHBondContact O-N 2.83Å
96	L	98.9	Very high	89.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.8	176.1	-51.5	-177.8	0	0	0	109.7	V94 W107 L116 L120 V127 W128 M129 G130 V183	V94-L96 HydrophobicContact CG1-CD2 3.73Å; L96-W107 HydrophobicContact CB-CD2 3.77Å; L96-W107 HydrophobicContact CB-CG 3.8Å; L96-W107 HydrophobicContact CB-CZ2 4.1Å; L96-W107 HydrophobicContact CD1-CB 3.78Å; L96-W107 HydrophobicContact CD1-CD2 3.96Å; L96-W107 HydrophobicContact CD1-CE3 4.31Å; L96-W107 HydrophobicContact CD1-CG 3.72Å; L96-W107 HydrophobicContact CG-CD2 4.38Å; L96-W107 HydrophobicContact CG-CG 4.4Å; L96-L116 HydrophobicContact CD2-CD2 4.14Å; L96-L120 HydrophobicContact CD1-CD1 4.29Å; L96-L120 HydrophobicContact CD2-CD1 3.81Å; L96-V127 HydrophobicContact CD1-CG1 3.73Å; L96-V127 HydrophobicContact CG-CG1 4.18Å; L96-W128 PolarHBondContact N-O 3.44Å; L96-M129 HydrophobicContact CB-CG 4.12Å; L96-M129 HydrophobicContact CD1-CG 4.07Å; L96-M129 HydrophobicContact CG-CG 4.42Å; L96-M129 WeakPolarHBondContact O-CA 3.32Å; L96-G130 PolarHBondContact O-N 3.48Å; L96-V183 WeakPolarHBondContact CA-O 3.45Å; L96-V183 HydrophobicContact CD2-CB 3.56Å; L96-V183 HydrophobicContact CD2-CG1 4.24Å; L96-V183 HydrophobicContact CD2-CG2 3.61Å
97	Q	98.9	Very high	91.3	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.3	-177	-173.7	62.1	53.5	0	0	111.6	W107 S132 L164 Y182 V183 Y185 M191	Q97-W107 WeakPolarHBondContact O-CZ2 3.12Å; Q97-S132 PolarHBondContact NE2-OG 3.42Å; Q97-L164 HydrophobicContact CG-CD2 4.46Å; Q97-Y182 HydrophobicContact CB-CE2 3.78Å; Q97-Y182 VanDerWaalsContact CB-OH 3.24Å; Q97-Y182 WeakPolarHBondContact CB-OH 3.31Å; Q97-Y182 HydrophobicContact CG-CE2 4.47Å; Q97-Y182 WeakPolarHBondContact CG-OH 3.34Å; Q97-V183 PolarHBondContact N-O 3.21Å; Q97-Y185 PolarHBondContact O-N 3.4Å; Q97-M191 HydrophobicContact CG-CE 3.85Å; Q97-M191 HydrophobicContact CG-SD 4.09Å
98	H	98.7	Very high	93.1	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.019	15%	0.153	C	C	.	.			trans	-68.5	172.8	-176.8	70	76	0	0	0	113.8	G102 D103 G130 S132 N135 Y185 G188	H98-G102 PolarHBondContact CE1-O 2.87Å; H98-G102 VanDerWaalsContact ND1-C 3.26Å; H98-G102 PolarHBondContact ND1-O 3.08Å; H98-D103 VanDerWaalsContact CB-O 3.25Å; H98-D103 WeakPolarHBondContact CB-O 3.28Å; H98-D103 VanDerWaalsContact CD2-C 3.46Å; H98-D103 WeakPolarHBondContact CD2-CA 3.5Å; H98-G130 PolarHBondContact CD2-O 2.94Å; H98-G130 VanDerWaalsContact CD2-O 3.26Å; H98-S132 PolarHBondContact NE2-N 3.37Å; H98-S132 VanDerWaalsContact NE2-N 3.11Å; H98-N135 PolarHBondContact NE2-ND2 3.06Å; H98-Y185 CarbonylContact C-O 3.52Å; H98-G188 VanDerWaalsContact O-CA 3.23Å; H98-G188 WeakPolarHBondContact O-CA 3.46Å; H98-G188 PolarHBondContact O-N 3.05Å; H98-G188 VanDerWaalsContact O-N 3.16Å
99	G	97.5	Very high	95	Very high	2 Å²	2	17 Å²	17	2%	0.021	11%	0.109	C	C	.	.			trans	-91.6	-169.2	-179.1	0	0	0	0	0	115.3	L101 G102 Y185	G99-L101 PolarHBondContact O-N 3.22Å; G99-G102 PolarHBondContact O-N 3.42Å; G99-Y185 VanDerWaalsContact CA-O 3.23Å; G99-Y185 WeakPolarHBondContact CA-O 3.48Å; G99-Y185 PolarHBondContact N-O 2.78Å
100	L	95.1	Very high	96.4	Very high	55 Å²	55	14.1 Å²	14.1	29%	0.288	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	134	175.9	173.7	63.9	0	0	0	110	G102 Q187 I305	L100-G102 PolarHBondContact O-N 3.35Å; L100-Q187 HydrophobicContact CB-CB 4.08Å; L100-I305 HydrophobicContact CD1-CD1 4.1Å
101	L	92.1	Very high	97.1	Very high	25 Å²	25	13.7 Å²	13.7	13%	0.131	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	12.2	-178.3	-65.9	168.1	0	0	0	114.9	G99 F245 P297 A298 T300	G99-L101 PolarHBondContact O-N 3.22Å; L101-F245 HydrophobicContact CD1-CE1 4.41Å; L101-F245 HydrophobicContact CD2-CD1 4.28Å; L101-P297 HydrophobicContact CB-CB 3.87Å; L101-P297 HydrophobicContact CD1-CB 4.26Å; L101-P297 HydrophobicContact CD2-CB 3.95Å; L101-P297 HydrophobicContact CG-CB 4.26Å; L101-P297 CarbonylContact O-C 3.4Å; L101-P297 WeakPolarHBondContact O-CA 3.16Å; L101-A298 PolarHBondContact O-N 2.89Å; L101-T300 HydrophobicContact CD2-CG2 3.34Å; L101-T300 HydrophobicContact CG-CG2 4.13Å
102	G	94.4	Very high	97.3	Very high	3 Å²	3	12.1 Å²	12.1	3%	0.031	7%	0.069	C	C	.	.			trans	-93.4	-177	176.5	0	0	0	0	0	113.5	H98 G99 L100 N106 N135 A298	H98-G102 PolarHBondContact CE1-O 2.87Å; H98-G102 VanDerWaalsContact ND1-C 3.26Å; H98-G102 PolarHBondContact ND1-O 3.08Å; G99-G102 PolarHBondContact O-N 3.42Å; L100-G102 PolarHBondContact O-N 3.35Å; G102-N106 VanDerWaalsContact CA-OD1 3.28Å; G102-N106 WeakPolarHBondContact CA-OD1 3.4Å; G102-N135 PolarHBondContact O-ND2 3.13Å; G102-A298 WeakPolarHBondContact O-CB 3.38Å
103	D	97.2	Very high	97.4	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.086	C	C	.	.			trans	-148.7	-176	171.9	74.5	-11.7	0	0	0	110.9	H98 S105 N106 N135 W137 A298	H98-D103 VanDerWaalsContact CB-O 3.25Å; H98-D103 WeakPolarHBondContact CB-O 3.28Å; H98-D103 VanDerWaalsContact CD2-C 3.46Å; H98-D103 WeakPolarHBondContact CD2-CA 3.5Å; D103-S105 PolarHBondContact O-N 3.3Å; D103-S105 VanDerWaalsContact O-N 3.1Å; D103-S105 WeakPolarHBondContact OD1-CA 3.39Å; D103-S105 WeakPolarHBondContact OD1-CB 3.47Å; D103-S105 PolarHBondContact OD1-N 3.49Å; D103-S105 PolarHBondContact OD1-OG 3.07Å; D103-N106 PolarHBondContact N-OD1 3.31Å; D103-N106 PolarHBondContact O-N 2.83Å; D103-N106 PolarHBondContact O-OD1 3.07Å; D103-N135 WeakPolarHBondContact CB-ND2 3.39Å; D103-W137 PolarHBondContact OD2-NE1 2.88Å; D103-A298 HydrophobicContact CB-CB 3.67Å
104	A	98.3	Very high	97.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-57.9	-22.5	177.4	0	0	0	0	0	113.8	V49 N106 W107 M129 N131	V49-A104 HydrophobicContact CG1-CB 4.11Å; V49-A104 HydrophobicContact CG2-CB 4.16Å; A104-N106 PolarHBondContact O-N 2.8Å; A104-W107 PolarHBondContact O-N 2.95Å; A104-M129 HydrophobicContact CB-CB 3.73Å; A104-N131 PolarHBondContact N-OD1 3.31Å
105	S	98.1	Very high	97.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-64.5	-24.4	-179.1	82	0	0	0	0	112.7	D103 W107 I108 S109 H295	D103-S105 PolarHBondContact O-N 3.3Å; D103-S105 VanDerWaalsContact O-N 3.1Å; D103-S105 WeakPolarHBondContact OD1-CA 3.39Å; D103-S105 WeakPolarHBondContact OD1-CB 3.47Å; D103-S105 PolarHBondContact OD1-N 3.49Å; D103-S105 PolarHBondContact OD1-OG 3.07Å; S105-W107 PolarHBondContact O-N 3.48Å; S105-I108 CarbonylContact O-C 3.53Å; S105-I108 WeakPolarHBondContact O-CG1 3.43Å; S105-I108 PolarHBondContact O-N 3.13Å; S105-S109 PolarHBondContact O-N 3.32Å; S105-S109 PolarHBondContact O-OG 3.02Å; S105-H295 VanDerWaalsContact OG-CB 3.23Å; S105-H295 WeakPolarHBondContact OG-CB 3.36Å
106	N	97.9	Very high	97.3	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.027	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-52.4	-30	179.6	-73.7	114.9	0	0	0	112.6	G102 D103 A104 I390 W391	G102-N106 VanDerWaalsContact CA-OD1 3.28Å; G102-N106 WeakPolarHBondContact CA-OD1 3.4Å; D103-N106 PolarHBondContact N-OD1 3.31Å; D103-N106 PolarHBondContact O-N 2.83Å; D103-N106 PolarHBondContact O-OD1 3.07Å; A104-N106 PolarHBondContact O-N 2.8Å; N106-I390 HydrophobicContact CB-CD1 4.11Å; N106-I390 HydrophobicContact CB-CG2 4.43Å; N106-I390 WeakPolarHBondContact ND2-CD1 3.21Å; N106-W391 VanDerWaalsContact ND2-CZ2 3.31Å; N106-W391 WeakPolarHBondContact ND2-CZ2 3.47Å
107	W	98.8	Very high	97.3	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.011	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-85.4	-9	-177.4	-55.5	111.9	0	0	0	114.6	L96 Q97 A104 S105 S115 L116 G117 M129 V183 L212 I390	L96-W107 HydrophobicContact CB-CD2 3.77Å; L96-W107 HydrophobicContact CB-CG 3.8Å; L96-W107 HydrophobicContact CB-CZ2 4.1Å; L96-W107 HydrophobicContact CD1-CB 3.78Å; L96-W107 HydrophobicContact CD1-CD2 3.96Å; L96-W107 HydrophobicContact CD1-CE3 4.31Å; L96-W107 HydrophobicContact CD1-CG 3.72Å; L96-W107 HydrophobicContact CG-CD2 4.38Å; L96-W107 HydrophobicContact CG-CG 4.4Å; Q97-W107 WeakPolarHBondContact O-CZ2 3.12Å; A104-W107 PolarHBondContact O-N 2.95Å; S105-W107 PolarHBondContact O-N 3.48Å; W107-S115 CarbonylContact O-C 3.45Å; W107-S115 WeakPolarHBondContact O-CB 3.4Å; W107-L116 HydrophobicContact CE3-CB 4.2Å; W107-L116 HydrophobicContact CE3-CD2 3.89Å; W107-L116 HydrophobicContact CZ3-CD2 3.68Å; W107-L116 PolarHBondContact O-N 2.81Å; W107-G117 PolarHBondContact O-N 3.4Å; W107-M129 HydrophobicContact CB-CG 4.4Å; W107-M129 HydrophobicContact CB-SD 4.01Å; W107-M129 HydrophobicContact CG-CG 4.46Å; W107-V183 HydrophobicContact CH2-CG1 4.05Å; W107-V183 HydrophobicContact CZ3-CG1 4.37Å; W107-L212 HydrophobicContact CH2-CD1 4.25Å; W107-L212 HydrophobicContact CZ3-CD1 4.09Å; W107-I390 HydrophobicContact CE3-CG2 4.32Å; W107-I390 HydrophobicContact CH2-CG2 4.43Å; W107-I390 HydrophobicContact CZ3-CG2 4.05Å
108	I	98.4	Very high	97.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	9.7	-170.8	61.7	163.2	0	0	0	113.7	V49 I52 I53 I78 S105 N110 F118 M129	V49-I108 HydrophobicContact CG1-CD1 3.78Å; I52-I108 HydrophobicContact CB-CD1 3.99Å; I52-I108 HydrophobicContact CG2-CD1 3.82Å; I52-I108 HydrophobicContact CG2-CG1 4.33Å; I53-I108 HydrophobicContact CD1-CD1 4.22Å; I53-I108 HydrophobicContact CG1-CD1 3.67Å; I78-I108 HydrophobicContact CD1-CG2 4.29Å; S105-I108 CarbonylContact O-C 3.53Å; S105-I108 WeakPolarHBondContact O-CG1 3.43Å; S105-I108 PolarHBondContact O-N 3.13Å; I108-N110 PolarHBondContact O-N 2.86Å; I108-F118 HydrophobicContact CB-CD2 4.32Å; I108-F118 HydrophobicContact CB-CE2 3.6Å; I108-F118 HydrophobicContact CB-CZ 3.8Å; I108-F118 HydrophobicContact CG2-CD2 4.23Å; I108-F118 HydrophobicContact CG2-CE1 4.25Å; I108-F118 HydrophobicContact CG2-CE2 3.85Å; I108-F118 HydrophobicContact CG2-CZ 3.86Å; I108-M129 HydrophobicContact CG2-SD 3.92Å
109	S	95.9	Very high	97.2	Very high	1 Å²	1	17 Å²	17	1%	0.007	9%	0.093	C	C	.	.	S	Bend	trans	-71.8	-12.2	-173.8	-35.7	0	0	0	0	114.4	S105 R288 W391	S105-S109 PolarHBondContact O-N 3.32Å; S105-S109 PolarHBondContact O-OG 3.02Å; S109-R288 PolarHBondContact O-NE 3.2Å; S109-W391 PolarHBondContact OG-NE1 2.98Å; S109-W391 VanDerWaalsContact OG-NE1 3.13Å
110	N	97.1	Very high	97.3	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.092	C	C	.	.	S	Bend	trans	-105.9	-158.4	-179.3	-68.1	-37.9	0	0	0	111.4	K56 I108 N114 S115 Y292 W391	K56-N110 WeakPolarHBondContact CE-O 3.47Å; I108-N110 PolarHBondContact O-N 2.86Å; N110-N114 WeakPolarHBondContact CB-OD1 3.34Å; N110-S115 WeakPolarHBondContact CA-OG 3.35Å; N110-S115 WeakPolarHBondContact CB-OG 3.35Å; N110-S115 PolarHBondContact N-OG 2.89Å; N110-Y292 WeakPolarHBondContact OD1-CE1 3.26Å; N110-Y292 PolarHBondContact OD1-OH 3.01Å; N110-W391 WeakPolarHBondContact ND2-CA 3.16Å
111	L	97.3	Very high	97.4	Very high	74 Å²	74	14.4 Å²	14.4	39%	0.387	8%	0.079	S	C	.	.			trans	-79.4	158.8	176.3	-57.7	178.8	0	0	0	110.1	N113 N114 S115	L111-N113 VanDerWaalsContact CB-OD1 3.28Å; L111-N113 WeakPolarHBondContact CB-OD1 3.48Å; L111-N113 PolarHBondContact O-N 2.79Å; L111-N113 VanDerWaalsContact O-N 3.1Å; L111-N114 WeakPolarHBondContact CA-OD1 3.3Å; L111-N114 VanDerWaalsContact CB-OD1 3.32Å; L111-N114 WeakPolarHBondContact CB-OD1 3.45Å; L111-N114 PolarHBondContact N-OD1 3.05Å; L111-N114 CarbonylContact O-C 2.96Å; L111-N114 PolarHBondContact O-N 3.16Å; L111-N114 PolarHBondContact O-OD1 2.8Å; L111-S115 WeakPolarHBondContact O-CB 3.3Å; L111-S115 PolarHBondContact O-N 3.41Å; L111-S115 VanDerWaalsContact O-N 3.13Å
112	P	97.5	Very high	97.6	Very high	35 Å²	35	15 Å²	15	23%	0.227	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-54.1	-32.8	178.8	-30.3	38	0	0	0	115	K56 Y58 N114 F118 I119	K56-P112 HydrophobicContact CB-CG 4.07Å; K56-P112 HydrophobicContact CD-CG 4.1Å; K56-P112 HydrophobicContact CG-CG 4.21Å; Y58-P112 HydrophobicContact CE2-CB 3.95Å; Y58-P112 HydrophobicContact CE2-CG 4.07Å; Y58-P112 WeakPolarHBondContact OH-CB 3.25Å; P112-N114 VanDerWaalsContact C-N 3.32Å; P112-N114 PolarHBondContact O-N 3.39Å; P112-F118 HydrophobicContact CB-CB 4.11Å; P112-F118 HydrophobicContact CB-CD2 4.32Å; P112-F118 HydrophobicContact CB-CG 4.27Å; P112-F118 HydrophobicContact CG-CD2 4.43Å; P112-F118 WeakPolarHBondContact O-CB 3.35Å; P112-I119 WeakPolarHBondContact O-CG1 3.17Å
113	N	96.6	Very high	97.6	Very high	115 Å²	115	15.7 Å²	15.7	62%	0.615	9%	0.088	S	C	*	.	G	3₁₀ helix	trans	-81.6	-5.5	179	68.5	-21.4	0	0	0	114.3	L111 I119 P396	L111-N113 VanDerWaalsContact CB-OD1 3.28Å; L111-N113 WeakPolarHBondContact CB-OD1 3.48Å; L111-N113 PolarHBondContact O-N 2.79Å; L111-N113 VanDerWaalsContact O-N 3.1Å; N113-I119 WeakPolarHBondContact O-CD1 3.22Å; N113-P396 WeakPolarHBondContact O-CG 3.34Å
114	N	96.9	Very high	97.5	Very high	15 Å²	15	16 Å²	16	8%	0.08	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-137.7	28.2	177.6	75.5	-25.7	0	0	0	115	N110 L111 P112 P396	N110-N114 WeakPolarHBondContact CB-OD1 3.34Å; L111-N114 WeakPolarHBondContact CA-OD1 3.3Å; L111-N114 VanDerWaalsContact CB-OD1 3.32Å; L111-N114 WeakPolarHBondContact CB-OD1 3.45Å; L111-N114 PolarHBondContact N-OD1 3.05Å; L111-N114 CarbonylContact O-C 2.96Å; L111-N114 PolarHBondContact O-N 3.16Å; L111-N114 PolarHBondContact O-OD1 2.8Å; P112-N114 VanDerWaalsContact C-N 3.32Å; P112-N114 PolarHBondContact O-N 3.39Å; N114-P396 VanDerWaalsContact CA-CG 3.49Å; N114-P396 HydrophobicContact CB-CG 3.59Å
115	S	98.6	Very high	97.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	9%	0.093	C	C	.	.			trans	-126.5	122.4	173.1	-88.8	0	0	0	0	109.5	W107 N110 L111 G117 F118 I119	W107-S115 CarbonylContact O-C 3.45Å; W107-S115 WeakPolarHBondContact O-CB 3.4Å; N110-S115 WeakPolarHBondContact CA-OG 3.35Å; N110-S115 WeakPolarHBondContact CB-OG 3.35Å; N110-S115 PolarHBondContact N-OG 2.89Å; L111-S115 WeakPolarHBondContact O-CB 3.3Å; L111-S115 PolarHBondContact O-N 3.41Å; L111-S115 VanDerWaalsContact O-N 3.13Å; S115-G117 PolarHBondContact O-N 3.08Å; S115-F118 PolarHBondContact O-N 2.93Å; S115-F118 VanDerWaalsContact O-N 3.14Å; S115-I119 WeakPolarHBondContact O-CG1 3.27Å; S115-I119 PolarHBondContact O-N 3.13Å
116	L	98.8	Very high	97.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-55.9	-37.6	-172.7	-179.4	61.7	0	0	0	112.7	L96 W107 F118 I119 L120 V183 L212 Y400 I403	L96-L116 HydrophobicContact CD2-CD2 4.14Å; W107-L116 HydrophobicContact CE3-CB 4.2Å; W107-L116 HydrophobicContact CE3-CD2 3.89Å; W107-L116 HydrophobicContact CZ3-CD2 3.68Å; W107-L116 PolarHBondContact O-N 2.81Å; L116-F118 PolarHBondContact O-N 3.5Å; L116-I119 PolarHBondContact O-N 2.95Å; L116-L120 HydrophobicContact CD1-CD1 3.82Å; L116-L120 HydrophobicContact CD1-CD2 4.4Å; L116-L120 HydrophobicContact CD1-CG 3.79Å; L116-L120 HydrophobicContact CD2-CD1 4.4Å; L116-L120 HydrophobicContact CG-CD1 3.75Å; L116-L120 HydrophobicContact CG-CG 4.2Å; L116-L120 WeakPolarHBondContact O-CB 3.34Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 2.76Å; L116-V183 HydrophobicContact CD2-CG1 4.07Å; L116-L212 HydrophobicContact CD2-CD1 4.49Å; L116-Y400 HydrophobicContact CB-CD1 4.1Å; L116-Y400 HydrophobicContact CB-CD2 4.23Å; L116-Y400 HydrophobicContact CB-CE1 4.02Å; L116-Y400 HydrophobicContact CB-CE2 4.15Å; L116-Y400 HydrophobicContact CB-CG 4.21Å; L116-Y400 HydrophobicContact CD1-CD1 3.76Å; L116-Y400 HydrophobicContact CD1-CD2 4.47Å; L116-Y400 HydrophobicContact CD1-CE1 4.48Å; L116-Y400 HydrophobicContact CD1-CG 3.75Å; L116-Y400 HydrophobicContact CD2-CD1 4.31Å; L116-Y400 HydrophobicContact CD2-CE1 4.39Å; L116-Y400 HydrophobicContact CG-CD1 4.27Å; L116-I403 HydrophobicContact CD1-CD1 4.45Å; L116-I403 HydrophobicContact CD2-CD1 4.3Å
117	G	98.6	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-46.5	178.9	0	0	0	0	0	112.9	W107 S115 A121	W107-G117 PolarHBondContact O-N 3.4Å; S115-G117 PolarHBondContact O-N 3.08Å; G117-A121 PolarHBondContact O-N 2.71Å
118	F	98.6	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-71	-43.5	178.1	-63.7	-53.5	0	0	0	112	I53 K56 Y58 I78 I108 P112 S115 L116 L120 A121 D122	I53-F118 HydrophobicContact CG1-CE1 4.37Å; I53-F118 HydrophobicContact CG2-CE1 4.44Å; K56-F118 HydrophobicContact CB-CE1 4.12Å; K56-F118 HydrophobicContact CB-CE2 4.39Å; K56-F118 HydrophobicContact CB-CZ 3.86Å; K56-F118 HydrophobicContact CG-CE1 4.4Å; K56-F118 HydrophobicContact CG-CE2 3.87Å; K56-F118 HydrophobicContact CG-CZ 3.64Å; Y58-F118 AromaticContact CD1-CD1 3.9Å; Y58-F118 HydrophobicContact CD1-CD1 3.9Å; Y58-F118 AromaticContact CD2-CD1 3.43Å; Y58-F118 HydrophobicContact CD2-CD1 3.43Å; Y58-F118 VanDerWaalsContact CD2-CD1 3.43Å; Y58-F118 AromaticContact CD2-CE1 3.57Å; Y58-F118 HydrophobicContact CD2-CE1 3.57Å; Y58-F118 HydrophobicContact CD2-CG 4.37Å; Y58-F118 HydrophobicContact CE1-CB 4.26Å; Y58-F118 AromaticContact CE1-CD1 3.93Å; Y58-F118 HydrophobicContact CE1-CD1 3.93Å; Y58-F118 HydrophobicContact CE2-CB 4.28Å; Y58-F118 AromaticContact CE2-CD1 3.49Å; Y58-F118 HydrophobicContact CE2-CD1 3.49Å; Y58-F118 VanDerWaalsContact CE2-CD1 3.49Å; Y58-F118 HydrophobicContact CE2-CE1 4.02Å; Y58-F118 HydrophobicContact CE2-CG 4Å; Y58-F118 AromaticContact CG-CD1 3.66Å; Y58-F118 HydrophobicContact CG-CD1 3.66Å; Y58-F118 AromaticContact CG-CE1 3.88Å; Y58-F118 HydrophobicContact CG-CE1 3.88Å; Y58-F118 AromaticContact CZ-CD1 3.75Å; I78-F118 HydrophobicContact CD1-CD1 3.83Å; I78-F118 HydrophobicContact CD1-CE1 3.85Å; I108-F118 HydrophobicContact CB-CD2 4.32Å; I108-F118 HydrophobicContact CB-CE2 3.6Å; I108-F118 HydrophobicContact CB-CZ 3.8Å; I108-F118 HydrophobicContact CG2-CD2 4.23Å; I108-F118 HydrophobicContact CG2-CE1 4.25Å; I108-F118 HydrophobicContact CG2-CE2 3.85Å; I108-F118 HydrophobicContact CG2-CZ 3.86Å; P112-F118 HydrophobicContact CB-CB 4.11Å; P112-F118 HydrophobicContact CB-CD2 4.32Å; P112-F118 HydrophobicContact CB-CG 4.27Å; P112-F118 HydrophobicContact CG-CD2 4.43Å; P112-F118 WeakPolarHBondContact O-CB 3.35Å; S115-F118 PolarHBondContact O-N 2.93Å; S115-F118 VanDerWaalsContact O-N 3.14Å; L116-F118 PolarHBondContact O-N 3.5Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 2.62Å; F118-A121 WeakPolarHBondContact O-CB 3.44Å; F118-A121 PolarHBondContact O-N 3.28Å; F118-A121 VanDerWaalsContact O-N 3.13Å; F118-D122 PolarHBondContact O-N 3.4Å
119	I	98.3	Very high	97.5	Very high	21 Å²	21	16.2 Å²	16.2	11%	0.108	9%	0.092	C	C	.	.	H	α-helix	trans	-59.8	-41.8	179	-69.8	166.1	0	0	0	111.5	P112 N113 S115 L116 A123 P396 Y400 I404	P112-I119 WeakPolarHBondContact O-CG1 3.17Å; N113-I119 WeakPolarHBondContact O-CD1 3.22Å; S115-I119 WeakPolarHBondContact O-CG1 3.27Å; S115-I119 PolarHBondContact O-N 3.13Å; L116-I119 PolarHBondContact O-N 2.95Å; I119-A123 VanDerWaalsContact O-CB 3.3Å; I119-A123 WeakPolarHBondContact O-CB 3.49Å; I119-A123 PolarHBondContact O-N 2.96Å; I119-P396 HydrophobicContact CD1-CB 4.12Å; I119-P396 HydrophobicContact CD1-CG 4.05Å; I119-Y400 HydrophobicContact CD1-CD2 3.67Å; I119-Y400 HydrophobicContact CD1-CE2 4.44Å; I119-I404 HydrophobicContact CG2-CD1 3.48Å; I119-I404 VanDerWaalsContact CG2-CD1 3.48Å
120	L	98.2	Very high	97.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-42.2	175.1	-75.3	169.8	0	0	0	111.9	V94 L96 L116 F118 D122 A123 G124 F125 V127 I404 M407	V94-L120 HydrophobicContact CB-CD1 4.38Å; V94-L120 HydrophobicContact CG1-CD1 3.96Å; L96-L120 HydrophobicContact CD1-CD1 4.29Å; L96-L120 HydrophobicContact CD2-CD1 3.81Å; L116-L120 HydrophobicContact CD1-CD1 3.82Å; L116-L120 HydrophobicContact CD1-CD2 4.4Å; L116-L120 HydrophobicContact CD1-CG 3.79Å; L116-L120 HydrophobicContact CD2-CD1 4.4Å; L116-L120 HydrophobicContact CG-CD1 3.75Å; L116-L120 HydrophobicContact CG-CG 4.2Å; L116-L120 WeakPolarHBondContact O-CB 3.34Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 2.76Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 2.62Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 2.83Å; L120-A123 CarbonylContact O-C 3.59Å; L120-A123 PolarHBondContact O-N 3.26Å; L120-A123 VanDerWaalsContact O-N 3.15Å; L120-G124 PolarHBondContact O-N 2.65Å; L120-F125 HydrophobicContact CB-CB 4.39Å; L120-F125 HydrophobicContact CB-CD2 4.43Å; L120-F125 HydrophobicContact CD2-CD2 3.86Å; L120-F125 HydrophobicContact CD2-CE2 4.18Å; L120-F125 HydrophobicContact CD2-CG 4.38Å; L120-F125 WeakPolarHBondContact O-CB 3.33Å; L120-F125 WeakPolarHBondContact O-CD2 3.35Å; L120-F125 PolarHBondContact O-N 3.28Å; L120-F125 VanDerWaalsContact O-N 3.09Å; L120-V127 HydrophobicContact CB-CG2 3.56Å; L120-I404 HydrophobicContact CD2-CD1 4.47Å; L120-I404 HydrophobicContact CD2-CG1 3.82Å; L120-M407 HydrophobicContact CD2-CE 4.23Å; L120-M407 HydrophobicContact CD2-SD 3.91Å
121	A	97.4	Very high	97.7	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-45.2	177.7	0	0	0	0	0	111.1	Y58 I78 G81 G117 F118 A123 G124 V127	Y58-A121 HydrophobicContact CD1-CB 4.32Å; Y58-A121 HydrophobicContact CE1-CB 4.25Å; I78-A121 HydrophobicContact CB-CB 4.33Å; I78-A121 HydrophobicContact CG2-CB 3.61Å; G81-A121 VanDerWaalsContact CA-C 3.47Å; G81-A121 WeakPolarHBondContact CA-O 3.21Å; G81-A121 PolarHBondContact N-O 2.93Å; G81-A121 VanDerWaalsContact N-O 3.07Å; G117-A121 PolarHBondContact O-N 2.71Å; F118-A121 WeakPolarHBondContact O-CB 3.44Å; F118-A121 PolarHBondContact O-N 3.28Å; F118-A121 VanDerWaalsContact O-N 3.13Å; A121-A123 VanDerWaalsContact C-N 3.31Å; A121-A123 PolarHBondContact O-N 2.86Å; A121-G124 PolarHBondContact O-N 2.57Å; A121-V127 HydrophobicContact CB-CG2 4.15Å
122	D	96.4	Very high	97.7	Very high	38 Å²	38	13 Å²	13	20%	0.203	8%	0.075	C	C	.	.	H	α-helix	trans	-69.1	-27.5	175.8	-72.6	-35.8	0	0	0	113.4	Y58 G81 L82 T83 F118 L120 G124	Y58-D122 PolarHBondContact OH-OD2 3.41Å; G81-D122 VanDerWaalsContact CA-OD1 3.29Å; G81-D122 WeakPolarHBondContact CA-OD1 3.28Å; L82-D122 PolarHBondContact N-OD1 2.88Å; T83-D122 PolarHBondContact N-OD1 3.42Å; F118-D122 PolarHBondContact O-N 3.4Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 2.83Å; D122-G124 PolarHBondContact O-N 3.24Å
123	A	95.1	Very high	97.8	Very high	16 Å²	16	11.3 Å²	11.3	13%	0.132	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-2	171.1	0	0	0	0	0	113.6	I119 L120 A121 F125 I404	I119-A123 VanDerWaalsContact O-CB 3.3Å; I119-A123 WeakPolarHBondContact O-CB 3.49Å; I119-A123 PolarHBondContact O-N 2.96Å; L120-A123 CarbonylContact O-C 3.59Å; L120-A123 PolarHBondContact O-N 3.26Å; L120-A123 VanDerWaalsContact O-N 3.15Å; A121-A123 VanDerWaalsContact C-N 3.31Å; A121-A123 PolarHBondContact O-N 2.86Å; A123-F125 HydrophobicContact CB-CD2 3.93Å; A123-F125 HydrophobicContact CB-CE2 3.97Å; A123-I404 HydrophobicContact CB-CD1 3.71Å; A123-I404 HydrophobicContact CB-CG1 4.12Å; A123-I404 HydrophobicContact CB-CG2 4.14Å
124	G	94.4	Very high	97.9	Very high	7 Å²	7	5.9 Å²	5.9	7%	0.072	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	25.2	173.3	0	0	0	0	0	114.7	L120 A121 D122	L120-G124 PolarHBondContact O-N 2.65Å; A121-G124 PolarHBondContact O-N 2.57Å; D122-G124 PolarHBondContact O-N 3.24Å
125	F	96.5	Very high	97.8	Very high	9 Å²	9	5.2 Å²	5.2	4%	0.039	3%	0.032	C	C	.	.			trans	-94	154	172.3	-64.7	-86.5	0	0	0	111.6	P92 V94 L120 A123 V127 Y181 I404 M407	P92-F125 HydrophobicContact CB-CD1 3.86Å; P92-F125 HydrophobicContact CB-CE1 4.03Å; P92-F125 HydrophobicContact CG-CD1 4.11Å; P92-F125 HydrophobicContact CG-CE1 4.12Å; P92-F125 WeakPolarHBondContact O-CA 3.46Å; V94-F125 HydrophobicContact CG2-CB 3.91Å; V94-F125 HydrophobicContact CG2-CD1 3.58Å; V94-F125 HydrophobicContact CG2-CE1 4.34Å; V94-F125 HydrophobicContact CG2-CG 3.87Å; L120-F125 HydrophobicContact CB-CB 4.39Å; L120-F125 HydrophobicContact CB-CD2 4.43Å; L120-F125 HydrophobicContact CD2-CD2 3.86Å; L120-F125 HydrophobicContact CD2-CE2 4.18Å; L120-F125 HydrophobicContact CD2-CG 4.38Å; L120-F125 WeakPolarHBondContact O-CB 3.33Å; L120-F125 WeakPolarHBondContact O-CD2 3.35Å; L120-F125 PolarHBondContact O-N 3.28Å; L120-F125 VanDerWaalsContact O-N 3.09Å; A123-F125 HydrophobicContact CB-CD2 3.93Å; A123-F125 HydrophobicContact CB-CE2 3.97Å; F125-V127 HydrophobicContact CB-CG2 4.31Å; F125-Y181 HydrophobicContact CE1-CD2 4.37Å; F125-Y181 HydrophobicContact CE1-CE2 4.15Å; F125-I404 HydrophobicContact CE2-CG1 4.4Å; F125-I404 HydrophobicContact CE2-CG2 4.4Å; F125-M407 HydrophobicContact CD1-SD 4.21Å; F125-M407 HydrophobicContact CE1-CB 3.9Å; F125-M407 HydrophobicContact CE1-CG 4.32Å; F125-M407 HydrophobicContact CE1-SD 3.64Å; F125-M407 HydrophobicContact CE2-SD 4.11Å; F125-M407 HydrophobicContact CZ-CB 3.59Å; F125-M407 HydrophobicContact CZ-CG 4.22Å; F125-M407 HydrophobicContact CZ-SD 3.59Å; F125-M407 VanDerWaalsContact CZ-SD 3.59Å
126	D	97.8	Very high	97.6	Very high	5 Å²	5	8 Å²	8	3%	0.027	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	107.8	165.6	177.1	17.6	0	0	0	108.4	R77 R91 P92 V93 V94 W128 T175	R77-D126 IonicContact CZ-OD1 2.68Å; R77-D126 IonicContact CZ-OD2 3.13Å; R77-D126 IonicContact NE-OD1 3.29Å; R77-D126 PolarHBondContact NE-OD1 3.33Å; R77-D126 IonicContact NE-OD2 3.48Å; R77-D126 PolarHBondContact NE-OD2 3Å; R77-D126 VanDerWaalsContact NH2-CG 3.26Å; R77-D126 IonicContact NH2-OD1 2.65Å; R77-D126 PolarHBondContact NH2-OD1 3.3Å; R77-D126 IonicContact NH2-OD2 3.26Å; R77-D126 PolarHBondContact NH2-OD2 3.14Å; R91-D126 HydrophobicContact CB-CB 3.99Å; P92-D126 PolarHBondContact O-N 2.84Å; V93-D126 WeakPolarHBondContact CA-O 3.48Å; V93-D126 HydrophobicContact CG2-CB 4.03Å; V94-D126 PolarHBondContact N-O 2.99Å; D126-W128 VanDerWaalsContact CG-NE1 3.32Å; D126-W128 PolarHBondContact OD1-NE1 3.29Å; D126-W128 PolarHBondContact OD2-NE1 3.26Å; D126-T175 WeakPolarHBondContact OD2-CG2 3.43Å
127	V	98.8	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.5	-168.1	-177.8	0	0	0	0	110.4	R77 I78 L96 L120 A121 F125 M129	R77-V127 CarbonylContact C-O 3.49Å; R77-V127 VanDerWaalsContact CA-O 3.24Å; R77-V127 WeakPolarHBondContact CA-O 3.43Å; R77-V127 WeakPolarHBondContact CG-O 3.37Å; I78-V127 HydrophobicContact CB-CB 4.29Å; I78-V127 PolarHBondContact N-O 3.17Å; I78-V127 PolarHBondContact O-N 3.38Å; L96-V127 HydrophobicContact CD1-CG1 3.73Å; L96-V127 HydrophobicContact CG-CG1 4.18Å; L120-V127 HydrophobicContact CB-CG2 3.56Å; A121-V127 HydrophobicContact CB-CG2 4.15Å; F125-V127 HydrophobicContact CB-CG2 4.31Å; V127-M129 HydrophobicContact CG1-CG 4.47Å
128	W	98.9	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.7	175.9	-67.2	74.8	0	0	0	109.5	Y63 V75 N76 R77 V94 L95 L96 D126 F170 I171 K174 T175	Y63-W128 HydrophobicContact CD2-CE3 4.47Å; Y63-W128 AromaticContact CD2-CH2 3.68Å; Y63-W128 HydrophobicContact CD2-CH2 3.68Å; Y63-W128 AromaticContact CD2-CZ3 3.41Å; Y63-W128 HydrophobicContact CD2-CZ3 3.41Å; Y63-W128 VanDerWaalsContact CD2-CZ3 3.41Å; Y63-W128 AromaticContact CE2-CH2 3.58Å; Y63-W128 HydrophobicContact CE2-CH2 3.58Å; Y63-W128 AromaticContact CE2-CZ3 3.79Å; Y63-W128 HydrophobicContact CE2-CZ3 3.79Å; Y63-W128 HydrophobicContact CG-CH2 4.42Å; Y63-W128 HydrophobicContact CG-CZ3 4.15Å; V75-W128 HydrophobicContact CG1-CE3 3.72Å; V75-W128 HydrophobicContact CG1-CZ3 4.29Å; N76-W128 CarbonylContact O-C 3.57Å; N76-W128 WeakPolarHBondContact O-CA 3.36Å; R77-W128 HydrophobicContact CB-CD2 4.09Å; R77-W128 HydrophobicContact CB-CE3 4.02Å; R77-W128 HydrophobicContact CB-CZ3 4.28Å; R77-W128 HydrophobicContact CG-CD2 3.81Å; R77-W128 HydrophobicContact CG-CE3 4.22Å; R77-W128 HydrophobicContact CG-CG 4.21Å; R77-W128 HydrophobicContact CG-CH2 4.42Å; R77-W128 HydrophobicContact CG-CZ2 4.02Å; V94-W128 PolarHBondContact O-N 2.98Å; L95-W128 CarbonylContact C-O 3.54Å; L95-W128 WeakPolarHBondContact CA-O 3.25Å; L95-W128 HydrophobicContact CD1-CB 4.14Å; L96-W128 PolarHBondContact N-O 3.44Å; D126-W128 VanDerWaalsContact CG-NE1 3.32Å; D126-W128 PolarHBondContact OD1-NE1 3.29Å; D126-W128 PolarHBondContact OD2-NE1 3.26Å; W128-F170 HydrophobicContact CH2-CD1 4.5Å; W128-F170 AromaticContact CH2-CE1 3.99Å; W128-F170 HydrophobicContact CH2-CE1 3.99Å; W128-F170 HydrophobicContact CZ3-CD1 4.24Å; W128-F170 AromaticContact CZ3-CE1 3.87Å; W128-F170 HydrophobicContact CZ3-CE1 3.87Å; W128-I171 HydrophobicContact CB-CD1 3.72Å; W128-I171 HydrophobicContact CB-CG1 4.5Å; W128-I171 HydrophobicContact CD2-CB 4.47Å; W128-I171 HydrophobicContact CD2-CD1 3.84Å; W128-I171 HydrophobicContact CD2-CG1 3.61Å; W128-I171 HydrophobicContact CD2-CG2 4.11Å; W128-I171 HydrophobicContact CE3-CD1 3.92Å; W128-I171 HydrophobicContact CE3-CG1 3.56Å; W128-I171 HydrophobicContact CG-CD1 3.78Å; W128-I171 HydrophobicContact CG-CG1 4.06Å; W128-I171 HydrophobicContact CG-CG2 4.2Å; W128-I171 HydrophobicContact CH2-CG1 4.38Å; W128-I171 HydrophobicContact CZ2-CG1 4.43Å; W128-I171 HydrophobicContact CZ2-CG2 4.38Å; W128-I171 HydrophobicContact CZ3-CG1 3.96Å; W128-K174 HydrophobicContact CH2-CB 4.38Å; W128-K174 HydrophobicContact CH2-CG 3.99Å; W128-K174 HydrophobicContact CZ2-CG 4.25Å; W128-T175 HydrophobicContact CZ2-CG2 3.85Å
129	M	98.9	Very high	97.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.5	-179.1	-66.7	165.2	-71.5	0	0	108.9	I53 V75 N76 I78 L96 A104 W107 I108 V127	I53-M129 HydrophobicContact CD1-CE 3.73Å; V75-M129 WeakPolarHBondContact CG1-O 3.34Å; N76-M129 HydrophobicContact CB-CB 4.41Å; N76-M129 HydrophobicContact CB-CE 4Å; N76-M129 PolarHBondContact N-O 3Å; N76-M129 PolarHBondContact O-N 2.96Å; I78-M129 HydrophobicContact CD1-CE 4.02Å; I78-M129 HydrophobicContact CG1-CE 3.87Å; L96-M129 HydrophobicContact CB-CG 4.12Å; L96-M129 HydrophobicContact CD1-CG 4.07Å; L96-M129 HydrophobicContact CG-CG 4.42Å; L96-M129 WeakPolarHBondContact O-CA 3.32Å; A104-M129 HydrophobicContact CB-CB 3.73Å; W107-M129 HydrophobicContact CB-CG 4.4Å; W107-M129 HydrophobicContact CB-SD 4.01Å; W107-M129 HydrophobicContact CG-CG 4.46Å; I108-M129 HydrophobicContact CG2-SD 3.92Å; V127-M129 HydrophobicContact CG1-CG 4.47Å
130	G	98.6	Very high	97.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	149.5	-179.4	0	0	0	0	0	112.2	L96 H98	L96-G130 PolarHBondContact O-N 3.48Å; H98-G130 PolarHBondContact CD2-O 2.94Å; H98-G130 VanDerWaalsContact CD2-O 3.26Å
131	N	98.8	Very high	97.4	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	10%	0.095	C	C	.	.			trans	-119.9	122.8	167.4	-73.8	-65.6	0	0	0	109.9	S74 N76 A104 N135 W137 S138	S74-N131 VanDerWaalsContact O-CB 3.25Å; S74-N131 WeakPolarHBondContact O-CB 3.44Å; S74-N131 PolarHBondContact O-ND2 3.1Å; N76-N131 PolarHBondContact ND2-ND2 3.29Å; A104-N131 PolarHBondContact N-OD1 3.31Å; N131-N135 WeakPolarHBondContact CB-ND2 3.29Å; N131-N135 PolarHBondContact OD1-ND2 2.97Å; N131-W137 HydrophobicContact CB-CB 4.44Å; N131-S138 VanDerWaalsContact CB-OG 3.23Å; N131-S138 WeakPolarHBondContact CB-OG 3.49Å; N131-S138 PolarHBondContact O-OG 3.23Å
132	S	98.8	Very high	97.5	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.021	12%	0.121	C	C	.	.			trans	-68.2	146.1	177	-62.9	0	0	0	0	112.1	Q97 H98 G134 N135 S138	Q97-S132 PolarHBondContact NE2-OG 3.42Å; H98-S132 PolarHBondContact NE2-N 3.37Å; H98-S132 VanDerWaalsContact NE2-N 3.11Å; S132-G134 PolarHBondContact O-N 3.02Å; S132-N135 VanDerWaalsContact O-CG 3.3Å; S132-N135 PolarHBondContact O-N 2.98Å; S132-N135 PolarHBondContact O-OD1 3.42Å; S132-S138 VanDerWaalsContact O-CB 3.3Å; S132-S138 WeakPolarHBondContact O-CB 3.42Å
133	R	98.8	Very high	97.6	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	138.1	173.3	62.2	-179.8	64.4	-155.9	-8	112.8	D69 Y71 L73 N135 F154 M159 F162 D163	D69-R133 IonicContact OD1-CZ 3.56Å; D69-R133 IonicContact OD1-NH1 3.7Å; D69-R133 IonicContact OD1-NH2 3.51Å; D69-R133 PolarHBondContact OD1-NH2 3.46Å; D69-R133 IonicContact OD2-CZ 2.81Å; D69-R133 IonicContact OD2-NH1 2.83Å; D69-R133 PolarHBondContact OD2-NH1 3.47Å; D69-R133 IonicContact OD2-NH2 3.36Å; D69-R133 PolarHBondContact OD2-NH2 2.57Å; Y71-R133 HydrophobicContact CD1-CB 3.63Å; Y71-R133 VanDerWaalsContact CD2-NH1 3.29Å; Y71-R133 HydrophobicContact CE1-CB 4.03Å; Y71-R133 HydrophobicContact CG-CB 4.06Å; L73-R133 HydrophobicContact CD2-CB 4Å; R133-N135 VanDerWaalsContact C-N 3.28Å; R133-N135 PolarHBondContact O-N 2.8Å; R133-F154 VanDerWaalsContact CD-CD2 3.49Å; R133-F154 HydrophobicContact CG-CD1 4.25Å; R133-F154 HydrophobicContact CG-CD2 3.61Å; R133-F154 HydrophobicContact CG-CE1 4.27Å; R133-F154 HydrophobicContact CG-CE2 3.68Å; R133-F154 HydrophobicContact CG-CG 3.94Å; R133-F154 HydrophobicContact CG-CZ 4.02Å; R133-F154 WeakPolarHBondContact O-CE2 3.38Å; R133-F154 VanDerWaalsContact O-CZ 3.32Å; R133-F154 WeakPolarHBondContact O-CZ 3.45Å; R133-M159 HydrophobicContact CG-CE 4.19Å; R133-M159 HydrophobicContact CG-CG 3.99Å; R133-F162 VanDerWaalsContact NH2-CB 3.28Å; R133-D163 WeakPolarHBondContact CG-OD2 3.39Å; R133-D163 IonicContact CZ-OD1 3.09Å; R133-D163 PolarHBondContact N-OD2 2.87Å; R133-D163 IonicContact NE-OD1 3.74Å; R133-D163 PolarHBondContact NE-OD1 3.07Å; R133-D163 IonicContact NE-OD2 2.98Å; R133-D163 PolarHBondContact NE-OD2 3.13Å; R133-D163 IonicContact NH2-OD1 2.72Å; R133-D163 PolarHBondContact NH2-OD1 2.91Å
134	G	97.4	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-10	178.2	0	0	0	0	0	116.1	S132 S138 R139	S132-G134 PolarHBondContact O-N 3.02Å; G134-S138 PolarHBondContact N-O 2.71Å; G134-R139 WeakPolarHBondContact O-CD 3.38Å; G134-R139 WeakPolarHBondContact O-CG 3.39Å
135	N	96.8	Very high	97.9	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.011	16%	0.163	C	C	.	.	S	Bend	trans	-71.4	171	167.8	90.6	-1.7	0	0	0	111.1	H98 G102 D103 N131 S132 R133 W137 S138 R139 A298	H98-N135 PolarHBondContact NE2-ND2 3.06Å; G102-N135 PolarHBondContact O-ND2 3.13Å; D103-N135 WeakPolarHBondContact CB-ND2 3.39Å; N131-N135 WeakPolarHBondContact CB-ND2 3.29Å; N131-N135 PolarHBondContact OD1-ND2 2.97Å; S132-N135 VanDerWaalsContact O-CG 3.3Å; S132-N135 PolarHBondContact O-N 2.98Å; S132-N135 PolarHBondContact O-OD1 3.42Å; R133-N135 VanDerWaalsContact C-N 3.28Å; R133-N135 PolarHBondContact O-N 2.8Å; N135-W137 PolarHBondContact O-N 2.82Å; N135-W137 PolarHBondContact OD1-N 2.82Å; N135-S138 PolarHBondContact O-N 3.13Å; N135-S138 PolarHBondContact OD1-N 3.14Å; N135-S138 VanDerWaalsContact OD1-N 3.13Å; N135-R139 WeakPolarHBondContact O-CD 3.36Å; N135-R139 WeakPolarHBondContact O-CG 3.44Å; N135-A298 CarbonylContact C-O 3.35Å; N135-A298 WeakPolarHBondContact CA-O 3.2Å; N135-A298 HydrophobicContact CB-CB 4.34Å
136	T	94.4	Very high	97.8	Very high	59 Å²	59	35 Å²	35	36%	0.362	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-35.8	-173	-65.5	0	0	0	0	113.9	A298	T136-A298 PolarHBondContact N-O 2.9Å; T136-A298 PolarHBondContact OG1-O 2.83Å
137	W	96.8	Very high	97.7	Very high	65 Å²	65	40.5 Å²	40.5	25%	0.246	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-19	-173.1	-45.9	110.1	0	0	0	113.8	N48 S74 D103 N131 N135	N48-W137 HydrophobicContact CB-CH2 3.32Å; N48-W137 HydrophobicContact CB-CZ2 4.03Å; N48-W137 HydrophobicContact CB-CZ3 3.72Å; S74-W137 WeakPolarHBondContact CB-O 3.24Å; D103-W137 PolarHBondContact OD2-NE1 2.88Å; N131-W137 HydrophobicContact CB-CB 4.44Å; N135-W137 PolarHBondContact O-N 2.82Å; N135-W137 PolarHBondContact OD1-N 2.82Å
138	S	98.1	Very high	97.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.			trans	-114.4	46.9	-175.3	-68.4	0	0	0	0	112	L73 S74 N131 S132 G134 N135	L73-S138 WeakPolarHBondContact CA-OG 3.49Å; S74-S138 PolarHBondContact N-OG 2.96Å; S74-S138 VanDerWaalsContact N-OG 3.13Å; N131-S138 VanDerWaalsContact CB-OG 3.23Å; N131-S138 WeakPolarHBondContact CB-OG 3.49Å; N131-S138 PolarHBondContact O-OG 3.23Å; S132-S138 VanDerWaalsContact O-CB 3.3Å; S132-S138 WeakPolarHBondContact O-CB 3.42Å; G134-S138 PolarHBondContact N-O 2.71Å; N135-S138 PolarHBondContact O-N 3.13Å; N135-S138 PolarHBondContact OD1-N 3.14Å; N135-S138 VanDerWaalsContact OD1-N 3.13Å
139	R	96.4	Very high	97.5	Very high	60 Å²	60	47 Å²	47	23%	0.226	24%	0.237	C	C	.	.			trans	-105.7	32.5	-177.3	-84.9	169.8	77.6	152.9	11.7	114.5	G134 N135 I146 F151 W152 E244	G134-R139 WeakPolarHBondContact O-CD 3.38Å; G134-R139 WeakPolarHBondContact O-CG 3.39Å; N135-R139 WeakPolarHBondContact O-CD 3.36Å; N135-R139 WeakPolarHBondContact O-CG 3.44Å; R139-I146 HydrophobicContact CB-CG2 4.24Å; R139-I146 WeakPolarHBondContact O-CG2 3.1Å; R139-F151 HydrophobicContact CB-CZ 4.46Å; R139-W152 HydrophobicContact CG-CH2 4.25Å; R139-E244 IonicContact CZ-OE1 2.76Å; R139-E244 IonicContact CZ-OE2 3.14Å; R139-E244 IonicContact NH1-OE1 2.86Å; R139-E244 PolarHBondContact NH1-OE1 2.92Å; R139-E244 IonicContact NH1-OE2 3.26Å; R139-E244 PolarHBondContact NH1-OE2 3.39Å; R139-E244 IonicContact NH2-OE2 2.71Å; R139-E244 PolarHBondContact NH2-OE2 3Å
140	K	98.3	Very high	97.4	Very high	110 Å²	110	52.6 Å²	52.6	48%	0.478	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147	178.9	-68.5	-179.6	-170.4	176.4	0	110.4	E64 I72	E64-K140 IonicContact OE1-NZ 3.47Å; E64-K140 PolarHBondContact OE1-NZ 2.86Å; I72-K140 HydrophobicContact CB-CB 3.88Å; I72-K140 HydrophobicContact CD1-CB 4.35Å; I72-K140 PolarHBondContact N-O 2.92Å
141	H	98.7	Very high	97.4	Very high	28 Å²	28	52.5 Å²	52.5	13%	0.13	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.4	172.7	-157.8	-95	0	0	0	109.4	D69 G70 Y71 T143 L144 F151	D69-H141 PolarHBondContact O-CE1 3.19Å; D69-H141 VanDerWaalsContact O-CE1 3.3Å; D69-H141 PolarHBondContact O-NE2 2.95Å; G70-H141 VanDerWaalsContact C-NE2 3.32Å; G70-H141 CarbonylContact O-C 3.5Å; G70-H141 WeakPolarHBondContact O-CA 3.32Å; G70-H141 PolarHBondContact O-CD2 2.95Å; Y71-H141 AromaticContact CD2-CD2 3.6Å; Y71-H141 AromaticContact CD2-NE2 3.77Å; Y71-H141 AromaticContact CE2-CD2 3.72Å; Y71-H141 AromaticContact CE2-NE2 3.78Å; Y71-H141 AromaticContact CG-CD2 3.76Å; Y71-H141 PolarHBondContact N-CD2 3.19Å; H141-T143 PolarHBondContact CE1-OG1 3.04Å; H141-T143 PolarHBondContact ND1-N 3.03Å; H141-T143 PolarHBondContact ND1-OG1 3.17Å; H141-T143 PolarHBondContact O-N 2.73Å; H141-L144 HydrophobicContact CB-CB 3.95Å; H141-L144 WeakPolarHBondContact CB-O 3.09Å; H141-L144 PolarHBondContact ND1-N 3.44Å; H141-F151 HydrophobicContact CB-CD2 3.96Å; H141-F151 HydrophobicContact CB-CE2 3.87Å
142	K	98.4	Very high	97.4	Very high	130 Å²	130	52.4 Å²	52.4	57%	0.565	26%	0.262	S	S	*	.	S	Bend	trans	-62.6	-27.1	174.7	-70.5	176.4	-174.7	164.4	0	113.1	G70	G70-K142 PolarHBondContact O-N 3.1Å
143	T	98.3	Very high	97.3	Very high	111 Å²	111	54 Å²	54	68%	0.681	28%	0.275	S	S	*	.	S	Bend	trans	-138.2	-27.1	-168.8	55.7	0	0	0	0	115.2	H141	H141-T143 PolarHBondContact CE1-OG1 3.04Å; H141-T143 PolarHBondContact ND1-N 3.03Å; H141-T143 PolarHBondContact ND1-OG1 3.17Å; H141-T143 PolarHBondContact O-N 2.73Å
144	L	98.1	Very high	97.3	Very high	47 Å²	47	54 Å²	54	25%	0.246	28%	0.275	C	S	.	.			trans	-100.7	140.3	-172.7	-61	174.3	0	0	0	110.5	H141 E150 F151	H141-L144 HydrophobicContact CB-CB 3.95Å; H141-L144 WeakPolarHBondContact CB-O 3.09Å; H141-L144 PolarHBondContact ND1-N 3.44Å; L144-E150 HydrophobicContact CD1-CB 4.1Å; L144-E150 HydrophobicContact CD2-CB 4.27Å; L144-F151 HydrophobicContact CB-CB 4.2Å; L144-F151 HydrophobicContact CB-CD2 4.1Å
145	S	97.4	Very high	97.3	Very high	51 Å²	51	54 Å²	54	36%	0.357	28%	0.275	S	S	.	.			trans	-85.8	153.7	168.7	-177.3	0	0	0	0	111	D147 Q148 F151	S145-D147 PolarHBondContact O-N 3.23Å; S145-D147 VanDerWaalsContact O-N 3.14Å; S145-D147 PolarHBondContact OG-N 3.25Å; S145-D147 PolarHBondContact OG-OD2 2.65Å; S145-Q148 WeakPolarHBondContact O-CB 2.91Å; S145-Q148 PolarHBondContact O-N 2.94Å; S145-Q148 VanDerWaalsContact O-N 3.1Å; S145-F151 WeakPolarHBondContact O-CB 3.47Å
146	I	95.8	Very high	97.4	Very high	60 Å²	60	53.9 Å²	53.9	31%	0.308	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.4	172.4	62.7	171.5	0	0	0	113.4	R139 Q148 F151 W152	R139-I146 HydrophobicContact CB-CG2 4.24Å; R139-I146 WeakPolarHBondContact O-CG2 3.1Å; I146-Q148 VanDerWaalsContact C-N 3.31Å; I146-F151 HydrophobicContact CG2-CD1 4.36Å; I146-F151 HydrophobicContact CG2-CE1 4.04Å; I146-F151 HydrophobicContact CG2-CE2 4.23Å; I146-F151 HydrophobicContact CG2-CZ 4Å; I146-W152 HydrophobicContact CB-CZ2 4.46Å; I146-W152 PolarHBondContact O-NE1 2.87Å
147	D	94.5	Very high	97.6	Very high	119 Å²	119	51.5 Å²	51.5	64%	0.636	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.6	178.5	-54	-52.5	0	0	0	112.8	S145 Q243	S145-D147 PolarHBondContact O-N 3.23Å; S145-D147 VanDerWaalsContact O-N 3.14Å; S145-D147 PolarHBondContact OG-N 3.25Å; S145-D147 PolarHBondContact OG-OD2 2.65Å; D147-Q243 PolarHBondContact O-NE2 3.32Å
148	Q	96.9	Very high	97.7	Very high	77 Å²	77	49.8 Å²	49.8	36%	0.36	25%	0.254	S	S	.	.	S	Bend	trans	-94.6	136.1	179.7	-63.4	-178.3	-90.6	0	0	110.9	S145 I146 E150 F151	S145-Q148 WeakPolarHBondContact O-CB 2.91Å; S145-Q148 PolarHBondContact O-N 2.94Å; S145-Q148 VanDerWaalsContact O-N 3.1Å; I146-Q148 VanDerWaalsContact C-N 3.31Å; Q148-E150 PolarHBondContact O-N 2.85Å; Q148-F151 WeakPolarHBondContact O-CB 3.4Å; Q148-F151 PolarHBondContact O-N 3.37Å; Q148-F151 VanDerWaalsContact O-N 3.11Å
149	D	96.7	Very high	97.7	Very high	61 Å²	61	50 Å²	50	33%	0.326	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-59.2	-34	178.1	-77.7	7.7	0	0	0	111.8	F151 W152 A153 R242 Q243	D149-F151 PolarHBondContact O-N 3.23Å; D149-W152 PolarHBondContact O-N 3.43Å; D149-A153 PolarHBondContact O-N 3.42Å; D149-R242 WeakPolarHBondContact OD2-CD 3.43Å; D149-Q243 VanDerWaalsContact OD1-CG 3.31Å; D149-Q243 WeakPolarHBondContact OD1-CG 3.19Å; D149-Q243 PolarHBondContact OD1-NE2 2.93Å
150	E	97.6	Very high	97.8	Very high	116 Å²	116	47.1 Å²	47.1	54%	0.542	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-63.1	-29.6	179.1	-63	78.6	-173.3	0	0	112.8	L144 Q148 W152 A153	L144-E150 HydrophobicContact CD1-CB 4.1Å; L144-E150 HydrophobicContact CD2-CB 4.27Å; Q148-E150 PolarHBondContact O-N 2.85Å; E150-W152 PolarHBondContact O-N 3.23Å; E150-A153 PolarHBondContact O-N 3.07Å
151	F	98.4	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.1	-24.9	174.3	-178.3	-80.6	0	0	0	111.9	Y71 R139 H141 L144 S145 I146 Q148 D149 F154	Y71-F151 HydrophobicContact CD1-CE2 4.33Å; Y71-F151 HydrophobicContact CD1-CZ 4.26Å; Y71-F151 HydrophobicContact CE1-CD2 4.37Å; Y71-F151 HydrophobicContact CE1-CE1 4.29Å; Y71-F151 HydrophobicContact CE1-CE2 4.05Å; Y71-F151 AromaticContact CE1-CZ 3.95Å; Y71-F151 HydrophobicContact CE1-CZ 3.95Å; Y71-F151 PolarHBondContact OH-O 2.54Å; R139-F151 HydrophobicContact CB-CZ 4.46Å; H141-F151 HydrophobicContact CB-CD2 3.96Å; H141-F151 HydrophobicContact CB-CE2 3.87Å; L144-F151 HydrophobicContact CB-CB 4.2Å; L144-F151 HydrophobicContact CB-CD2 4.1Å; S145-F151 WeakPolarHBondContact O-CB 3.47Å; I146-F151 HydrophobicContact CG2-CD1 4.36Å; I146-F151 HydrophobicContact CG2-CE1 4.04Å; I146-F151 HydrophobicContact CG2-CE2 4.23Å; I146-F151 HydrophobicContact CG2-CZ 4Å; Q148-F151 WeakPolarHBondContact O-CB 3.4Å; Q148-F151 PolarHBondContact O-N 3.37Å; Q148-F151 VanDerWaalsContact O-N 3.11Å; D149-F151 PolarHBondContact O-N 3.23Å; F151-F154 WeakPolarHBondContact O-CD1 3.24Å; F151-F154 WeakPolarHBondContact O-CE1 3.48Å
152	W	98.1	Very high	97.8	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-106.2	5	-177.8	-61.2	98.1	0	0	0	113	R139 I146 D149 E150 F154 Q243 E244 S301	R139-W152 HydrophobicContact CG-CH2 4.25Å; I146-W152 HydrophobicContact CB-CZ2 4.46Å; I146-W152 PolarHBondContact O-NE1 2.87Å; D149-W152 PolarHBondContact O-N 3.43Å; E150-W152 PolarHBondContact O-N 3.23Å; W152-F154 AromaticContact CE3-CE1 3.98Å; W152-F154 HydrophobicContact CE3-CE1 3.98Å; W152-F154 HydrophobicContact CE3-CZ 4.09Å; W152-F154 HydrophobicContact CZ3-CZ 4.43Å; W152-F154 PolarHBondContact O-N 2.63Å; W152-Q243 HydrophobicContact CB-CB 4.47Å; W152-Q243 VanDerWaalsContact CG-C 3.48Å; W152-Q243 VanDerWaalsContact CG-CA 3.44Å; W152-Q243 HydrophobicContact CG-CB 3.95Å; W152-E244 HydrophobicContact CD2-CB 4.31Å; W152-E244 HydrophobicContact CE3-CB 4.22Å; W152-E244 HydrophobicContact CH2-CB 3.63Å; W152-E244 HydrophobicContact CH2-CG 3.77Å; W152-E244 HydrophobicContact CZ2-CB 3.74Å; W152-E244 HydrophobicContact CZ2-CG 4.34Å; W152-E244 HydrophobicContact CZ3-CB 3.88Å; W152-E244 HydrophobicContact CZ3-CG 3.99Å; W152-S301 WeakPolarHBondContact O-CB 3.46Å
153	A	97.5	Very high	97.9	Very high	35 Å²	35	42.8 Å²	42.8	29%	0.289	22%	0.221	S	C	.	.			trans	-80.3	52.1	-179.9	0	0	0	0	0	112.6	D149 E150 Q303	D149-A153 PolarHBondContact O-N 3.42Å; E150-A153 PolarHBondContact O-N 3.07Å; A153-Q303 VanDerWaalsContact C-CD 3.47Å; A153-Q303 VanDerWaalsContact C-NE2 3.25Å; A153-Q303 VanDerWaalsContact CA-OE1 3.32Å; A153-Q303 PolarHBondContact O-NE2 2.92Å
154	F	98.4	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	19%	0.189	C	C	.	.			trans	-135.2	162.1	178.6	68.4	-99	0	0	0	112	Y71 R133 F151 W152 E158 M159 S301 Q303 N304	Y71-F154 HydrophobicContact CE1-CD1 4.16Å; Y71-F154 HydrophobicContact CE1-CE1 4.27Å; Y71-F154 AromaticContact CZ-CD1 3.98Å; Y71-F154 WeakPolarHBondContact OH-CD1 3.32Å; R133-F154 VanDerWaalsContact CD-CD2 3.49Å; R133-F154 HydrophobicContact CG-CD1 4.25Å; R133-F154 HydrophobicContact CG-CD2 3.61Å; R133-F154 HydrophobicContact CG-CE1 4.27Å; R133-F154 HydrophobicContact CG-CE2 3.68Å; R133-F154 HydrophobicContact CG-CG 3.94Å; R133-F154 HydrophobicContact CG-CZ 4.02Å; R133-F154 WeakPolarHBondContact O-CE2 3.38Å; R133-F154 VanDerWaalsContact O-CZ 3.32Å; R133-F154 WeakPolarHBondContact O-CZ 3.45Å; F151-F154 WeakPolarHBondContact O-CD1 3.24Å; F151-F154 WeakPolarHBondContact O-CE1 3.48Å; W152-F154 AromaticContact CE3-CE1 3.98Å; W152-F154 HydrophobicContact CE3-CE1 3.98Å; W152-F154 HydrophobicContact CE3-CZ 4.09Å; W152-F154 HydrophobicContact CZ3-CZ 4.43Å; W152-F154 PolarHBondContact O-N 2.63Å; F154-E158 WeakPolarHBondContact CA-OE2 3.13Å; F154-E158 HydrophobicContact CB-CB 4.07Å; F154-E158 HydrophobicContact CB-CG 4.12Å; F154-M159 HydrophobicContact CD2-CE 3.86Å; F154-M159 HydrophobicContact CE2-CE 3.53Å; F154-S301 WeakPolarHBondContact CE2-OG 3.2Å; F154-S301 PolarHBondContact O-OG 3.35Å; F154-Q303 WeakPolarHBondContact O-CB 3.47Å; F154-Q303 WeakPolarHBondContact O-CG 3.25Å; F154-N304 PolarHBondContact O-N 3.42Å
155	S	98.6	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.			trans	-138	-168.7	171	73	0	0	0	0	110.7	D157 E158 M159 N304 H307	S155-D157 PolarHBondContact O-N 2.99Å; S155-D157 VanDerWaalsContact O-N 3.16Å; S155-D157 WeakPolarHBondContact OG-CB 3.23Å; S155-D157 PolarHBondContact OG-N 3.08Å; S155-E158 PolarHBondContact N-OE2 3.43Å; S155-E158 PolarHBondContact O-N 3.49Å; S155-E158 PolarHBondContact OG-OE2 3.28Å; S155-M159 WeakPolarHBondContact O-CG 3.28Å; S155-M159 PolarHBondContact O-N 2.94Å; S155-N304 WeakPolarHBondContact CA-OD1 3.44Å; S155-H307 WeakPolarHBondContact CB-ND1 3.48Å; S155-H307 PolarHBondContact OG-ND1 2.89Å
156	Y	98.5	Very high	98	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-14.8	171	53.8	-106.4	0	0	0	113.8	A160 T190 I194 N304 H307 W308	Y156-A160 WeakPolarHBondContact O-CB 3.42Å; Y156-A160 PolarHBondContact O-N 3.11Å; Y156-T190 HydrophobicContact CD2-CG2 4.2Å; Y156-T190 HydrophobicContact CE2-CG2 4.35Å; Y156-I194 HydrophobicContact CD2-CD1 3.73Å; Y156-I194 HydrophobicContact CE2-CD1 4.11Å; Y156-N304 WeakPolarHBondContact CD1-OD1 3.31Å; Y156-N304 PolarHBondContact N-OD1 3.16Å; Y156-H307 HydrophobicContact CD1-CB 4.44Å; Y156-H307 AromaticContact CD2-CE1 3.86Å; Y156-H307 AromaticContact CD2-ND1 3.81Å; Y156-H307 HydrophobicContact CE1-CB 3.78Å; Y156-H307 AromaticContact CE1-CG 3.58Å; Y156-H307 AromaticContact CE1-ND1 3.69Å; Y156-H307 AromaticContact CE2-CE1 3.17Å; Y156-H307 WeakPolarHBondContact CE2-CE1 3.29Å; Y156-H307 AromaticContact CE2-CG 3.93Å; Y156-H307 AromaticContact CE2-ND1 3.37Å; Y156-H307 WeakPolarHBondContact CE2-ND1 3.3Å; Y156-H307 AromaticContact CE2-NE2 3.66Å; Y156-H307 AromaticContact CZ-CD2 3.53Å; Y156-H307 AromaticContact CZ-CE1 3.41Å; Y156-H307 VanDerWaalsContact CZ-CE1 3.41Å; Y156-H307 AromaticContact CZ-CG 3.36Å; Y156-H307 AromaticContact CZ-ND1 3.31Å; Y156-H307 VanDerWaalsContact CZ-ND1 3.31Å; Y156-H307 AromaticContact CZ-NE2 3.56Å; Y156-H307 PolarHBondContact OH-CD2 3.34Å; Y156-H307 PolarHBondContact OH-NE2 2.8Å; Y156-H307 PolarHBondContact OH-O 2.97Å; Y156-W308 HydrophobicContact CD1-CD2 4.23Å; Y156-W308 AromaticContact CD1-CE2 3.63Å; Y156-W308 AromaticContact CD1-CZ2 3.89Å; Y156-W308 HydrophobicContact CD1-CZ2 3.89Å; Y156-W308 AromaticContact CD1-NE1 3.55Å; Y156-W308 AromaticContact CE1-CD1 3.99Å; Y156-W308 AromaticContact CE1-CD2 3.67Å; Y156-W308 HydrophobicContact CE1-CD2 3.67Å; Y156-W308 AromaticContact CE1-CE2 3.54Å; Y156-W308 HydrophobicContact CE1-CE3 4.15Å; Y156-W308 AromaticContact CE1-CG 3.98Å; Y156-W308 HydrophobicContact CE1-CG 3.98Å; Y156-W308 HydrophobicContact CE1-CH2 4.38Å; Y156-W308 AromaticContact CE1-CZ2 3.95Å; Y156-W308 HydrophobicContact CE1-CZ2 3.95Å; Y156-W308 HydrophobicContact CE1-CZ3 4.47Å; Y156-W308 AromaticContact CE1-NE1 3.74Å
157	D	98.3	Very high	98.2	Very high	8 Å²	8	32 Å²	32	4%	0.043	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-56.7	169.2	-80.6	-18.8	0	0	0	111.5	S155 M159 A160 R161 H307 A319 F320 Y340	S155-D157 PolarHBondContact O-N 2.99Å; S155-D157 VanDerWaalsContact O-N 3.16Å; S155-D157 WeakPolarHBondContact OG-CB 3.23Å; S155-D157 PolarHBondContact OG-N 3.08Å; D157-M159 VanDerWaalsContact C-N 3.27Å; D157-M159 PolarHBondContact O-N 3.18Å; D157-A160 PolarHBondContact O-N 3.26Å; D157-R161 VanDerWaalsContact O-CB 3.23Å; D157-R161 WeakPolarHBondContact O-CB 3.48Å; D157-R161 PolarHBondContact O-N 2.89Å; D157-H307 VanDerWaalsContact CG-CE1 3.44Å; D157-H307 IonicContact OD1-CE1 3.53Å; D157-H307 PolarHBondContact OD1-CE1 2.75Å; D157-H307 IonicContact OD2-CE1 3.14Å; D157-H307 PolarHBondContact OD2-CE1 3.16Å; D157-H307 VanDerWaalsContact OD2-CE1 3.25Å; D157-H307 IonicContact OD2-ND1 3.83Å; D157-A319 VanDerWaalsContact OD2-CA 3.3Å; D157-A319 WeakPolarHBondContact OD2-CA 3.39Å; D157-F320 PolarHBondContact OD2-N 3Å; D157-Y340 WeakPolarHBondContact OD1-CE2 3.29Å; D157-Y340 VanDerWaalsContact OD1-CZ 3.3Å; D157-Y340 PolarHBondContact OD1-OH 2.91Å
158	E	98.7	Very high	98.4	Very high	30 Å²	30	26.4 Å²	26.4	14%	0.14	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-32.7	-179.8	-70.8	68.6	-140.4	0	0	111.5	F154 S155 R161 F162 D163	F154-E158 WeakPolarHBondContact CA-OE2 3.13Å; F154-E158 HydrophobicContact CB-CB 4.07Å; F154-E158 HydrophobicContact CB-CG 4.12Å; S155-E158 PolarHBondContact N-OE2 3.43Å; S155-E158 PolarHBondContact O-N 3.49Å; S155-E158 PolarHBondContact OG-OE2 3.28Å; E158-R161 PolarHBondContact O-N 2.66Å; E158-F162 HydrophobicContact CB-CD2 3.98Å; E158-F162 HydrophobicContact CB-CE2 4.49Å; E158-F162 HydrophobicContact CG-CD2 4.12Å; E158-F162 HydrophobicContact CG-CE2 4.15Å; E158-F162 WeakPolarHBondContact O-CB 3.47Å; E158-F162 PolarHBondContact O-N 3.07Å; E158-D163 PolarHBondContact O-N 3.12Å
159	M	98.9	Very high	98.5	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.015	13%	0.129	C	C	.	.	I	π-helix	trans	-62.6	-42.7	173.3	-60.8	176.6	-172.9	0	0	111.5	R133 F154 S155 D157 D163 L164 Q187 M191	R133-M159 HydrophobicContact CG-CE 4.19Å; R133-M159 HydrophobicContact CG-CG 3.99Å; F154-M159 HydrophobicContact CD2-CE 3.86Å; F154-M159 HydrophobicContact CE2-CE 3.53Å; S155-M159 WeakPolarHBondContact O-CG 3.28Å; S155-M159 PolarHBondContact O-N 2.94Å; D157-M159 VanDerWaalsContact C-N 3.27Å; D157-M159 PolarHBondContact O-N 3.18Å; M159-D163 VanDerWaalsContact O-CB 3.3Å; M159-D163 WeakPolarHBondContact O-CB 3.23Å; M159-D163 PolarHBondContact O-N 2.94Å; M159-L164 PolarHBondContact O-N 3.04Å; M159-L164 VanDerWaalsContact O-N 3.08Å; M159-Q187 PolarHBondContact SD-NE2 3.46Å; M159-M191 HydrophobicContact CB-CE 3.74Å; M159-M191 HydrophobicContact CB-CG 4.03Å; M159-M191 HydrophobicContact CB-SD 3.83Å; M159-M191 HydrophobicContact SD-SD 4.17Å
160	A	98.8	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-69.5	-42.8	175.8	0	0	0	0	0	112	Y156 D157 P165 M191 I194 A195 M199	Y156-A160 WeakPolarHBondContact O-CB 3.42Å; Y156-A160 PolarHBondContact O-N 3.11Å; D157-A160 PolarHBondContact O-N 3.26Å; A160-P165 WeakPolarHBondContact O-CD 3.37Å; A160-M191 HydrophobicContact CB-CB 4.43Å; A160-I194 HydrophobicContact CB-CB 3.7Å; A160-I194 HydrophobicContact CB-CD1 4.41Å; A160-I194 HydrophobicContact CB-CG2 3.56Å; A160-A195 HydrophobicContact CB-CB 4.33Å; A160-M199 VanDerWaalsContact O-CE 3.22Å; A160-M199 WeakPolarHBondContact O-CE 3.41Å
161	R	98.2	Very high	98.6	Very high	143 Å²	143	19.6 Å²	19.6	54%	0.54	10%	0.098	S	C	.	.	I	π-helix	trans	-78.3	-31.6	-172.3	-175.8	176.4	176.9	-179.4	-1.2	114	D157 E158 P165	D157-R161 VanDerWaalsContact O-CB 3.23Å; D157-R161 WeakPolarHBondContact O-CB 3.48Å; D157-R161 PolarHBondContact O-N 2.89Å; E158-R161 PolarHBondContact O-N 2.66Å; R161-P165 WeakPolarHBondContact O-CG 3.43Å
162	F	98.8	Very high	98.6	Very high	30 Å²	30	20.4 Å²	20.4	13%	0.132	10%	0.102	C	C	.	.	I	π-helix	trans	-124.2	-44	-172.2	-60.4	-60.9	0	0	0	112.9	E68 D69 R133 E158 A166	E68-F162 HydrophobicContact CB-CD1 4.09Å; E68-F162 HydrophobicContact CB-CE1 4.46Å; D69-F162 HydrophobicContact CB-CD2 4.3Å; D69-F162 HydrophobicContact CB-CE2 4.31Å; D69-F162 HydrophobicContact CB-CG 4.44Å; D69-F162 HydrophobicContact CB-CZ 4.46Å; R133-F162 VanDerWaalsContact NH2-CB 3.28Å; E158-F162 HydrophobicContact CB-CD2 3.98Å; E158-F162 HydrophobicContact CB-CE2 4.49Å; E158-F162 HydrophobicContact CG-CD2 4.12Å; E158-F162 HydrophobicContact CG-CE2 4.15Å; E158-F162 WeakPolarHBondContact O-CB 3.47Å; E158-F162 PolarHBondContact O-N 3.07Å; F162-A166 VanDerWaalsContact O-CB 3.24Å; F162-A166 WeakPolarHBondContact O-CB 3.36Å; F162-A166 PolarHBondContact O-N 3.33Å
163	D	98.9	Very high	98.7	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	14%	0.138	C	C	.	.	I	π-helix	trans	-67.4	-52.6	-177.5	-61.9	5.7	0	0	0	110.8	L73 R133 E158 M159 A166 V167	L73-D163 HydrophobicContact CD1-CB 3.56Å; R133-D163 WeakPolarHBondContact CG-OD2 3.39Å; R133-D163 IonicContact CZ-OD1 3.09Å; R133-D163 PolarHBondContact N-OD2 2.87Å; R133-D163 IonicContact NE-OD1 3.74Å; R133-D163 PolarHBondContact NE-OD1 3.07Å; R133-D163 IonicContact NE-OD2 2.98Å; R133-D163 PolarHBondContact NE-OD2 3.13Å; R133-D163 IonicContact NH2-OD1 2.72Å; R133-D163 PolarHBondContact NH2-OD1 2.91Å; E158-D163 PolarHBondContact O-N 3.12Å; M159-D163 VanDerWaalsContact O-CB 3.3Å; M159-D163 WeakPolarHBondContact O-CB 3.23Å; M159-D163 PolarHBondContact O-N 2.94Å; D163-A166 PolarHBondContact O-N 2.96Å; D163-V167 WeakPolarHBondContact O-CG2 3.4Å; D163-V167 PolarHBondContact O-N 3.48Å
164	L	98.8	Very high	98.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-50.7	-178.5	-76	-172.6	0	0	0	113	Q97 M159 A166 V167 I168 Y182 M191 A195	Q97-L164 HydrophobicContact CG-CD2 4.46Å; M159-L164 PolarHBondContact O-N 3.04Å; M159-L164 VanDerWaalsContact O-N 3.08Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-A166 PolarHBondContact O-N 3.44Å; L164-V167 PolarHBondContact O-N 3.23Å; L164-I168 HydrophobicContact CB-CD1 4.29Å; L164-I168 VanDerWaalsContact O-CB 3.29Å; L164-I168 WeakPolarHBondContact O-CB 3.43Å; L164-I168 WeakPolarHBondContact O-CD1 3.4Å; L164-I168 WeakPolarHBondContact O-CG1 3.3Å; L164-I168 PolarHBondContact O-N 3.47Å; L164-Y182 HydrophobicContact CD1-CE2 4.42Å; L164-Y182 HydrophobicContact CD2-CE2 3.67Å; L164-M191 HydrophobicContact CD1-CB 3.75Å; L164-M191 HydrophobicContact CD1-CE 4.27Å; L164-M191 HydrophobicContact CD2-CE 3.84Å; L164-M191 HydrophobicContact CG-CB 4.37Å; L164-M191 HydrophobicContact CG-CE 3.71Å; L164-A195 HydrophobicContact CD1-CB 3.76Å
165	P	98.9	Very high	98.6	Very high	21 Å²	21	32.9 Å²	32.9	14%	0.136	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-43.2	176.6	-25.8	34.3	0	0	0	113.3	A160 R161 N169 M199 L202	A160-P165 WeakPolarHBondContact O-CD 3.37Å; R161-P165 WeakPolarHBondContact O-CG 3.43Å; P165-N169 WeakPolarHBondContact O-CB 3.18Å; P165-N169 PolarHBondContact O-N 3.31Å; P165-N169 PolarHBondContact O-ND2 3.41Å; P165-M199 HydrophobicContact CG-CE 3.73Å; P165-M199 HydrophobicContact CG-SD 3.71Å; P165-L202 HydrophobicContact CB-CD1 4.31Å; P165-L202 HydrophobicContact CG-CD2 3.96Å
166	A	98.9	Very high	98.6	Very high	19 Å²	19	35.3 Å²	35.3	16%	0.157	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-49.8	-179.1	0	0	0	0	0	111.1	V65 T67 F162 D163 L164 F170	V65-A166 HydrophobicContact CG1-CB 3.98Å; T67-A166 HydrophobicContact CG2-CB 4.19Å; F162-A166 VanDerWaalsContact O-CB 3.24Å; F162-A166 WeakPolarHBondContact O-CB 3.36Å; F162-A166 PolarHBondContact O-N 3.33Å; D163-A166 PolarHBondContact O-N 2.96Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-A166 PolarHBondContact O-N 3.44Å; A166-F170 VanDerWaalsContact O-CB 3.27Å; A166-F170 WeakPolarHBondContact O-CB 3.32Å; A166-F170 PolarHBondContact O-N 2.83Å
167	V	98.9	Very high	98.5	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-48.4	-180	174.3	0	0	0	0	111.3	V65 L73 V75 L95 D163 L164 N169 F170 I171	V65-V167 HydrophobicContact CG1-CG2 4.38Å; L73-V167 HydrophobicContact CD1-CG2 3.87Å; V75-V167 HydrophobicContact CG1-CG1 4.29Å; V75-V167 HydrophobicContact CG2-CG1 4.12Å; V75-V167 HydrophobicContact CG2-CG2 3.88Å; L95-V167 HydrophobicContact CD1-CG1 4.07Å; L95-V167 HydrophobicContact CD2-CG1 4.02Å; D163-V167 WeakPolarHBondContact O-CG2 3.4Å; D163-V167 PolarHBondContact O-N 3.48Å; L164-V167 PolarHBondContact O-N 3.23Å; V167-N169 PolarHBondContact O-N 3.39Å; V167-F170 PolarHBondContact O-N 3.18Å; V167-I171 HydrophobicContact CG1-CD1 3.66Å; V167-I171 HydrophobicContact CG1-CG1 4.39Å; V167-I171 WeakPolarHBondContact O-CG1 3.41Å; V167-I171 PolarHBondContact O-N 2.87Å
168	I	98.9	Very high	98.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-46.4	-179.1	-68.4	166	0	0	0	110.8	L95 L164 F170 I171 L172 I180 F196 L202 K205 I206	L95-I168 HydrophobicContact CD2-CG1 3.79Å; L164-I168 HydrophobicContact CB-CD1 4.29Å; L164-I168 VanDerWaalsContact O-CB 3.29Å; L164-I168 WeakPolarHBondContact O-CB 3.43Å; L164-I168 WeakPolarHBondContact O-CD1 3.4Å; L164-I168 WeakPolarHBondContact O-CG1 3.3Å; L164-I168 PolarHBondContact O-N 3.47Å; I168-F170 PolarHBondContact O-N 2.95Å; I168-I171 PolarHBondContact O-N 3.42Å; I168-L172 HydrophobicContact CG2-CD1 3.81Å; I168-L172 HydrophobicContact CG2-CG 4.41Å; I168-L172 VanDerWaalsContact O-CG 3.24Å; I168-L172 WeakPolarHBondContact O-CG 3.45Å; I168-L172 PolarHBondContact O-N 3.13Å; I168-I180 HydrophobicContact CB-CD1 4.46Å; I168-I180 HydrophobicContact CG1-CD1 3.9Å; I168-I180 HydrophobicContact CG2-CD1 4.13Å; I168-F196 HydrophobicContact CD1-CE1 4.16Å; I168-L202 HydrophobicContact CB-CD1 4.03Å; I168-L202 HydrophobicContact CD1-CD1 3.93Å; I168-L202 HydrophobicContact CD1-CD2 4.12Å; I168-L202 HydrophobicContact CD1-CG 4.15Å; I168-L202 HydrophobicContact CG2-CD1 3.91Å; I168-K205 HydrophobicContact CG2-CB 4.4Å; I168-I206 HydrophobicContact CD1-CD1 4.06Å
169	N	98.9	Very high	98.4	Very high	64 Å²	64	48.3 Å²	48.3	34%	0.342	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-40.5	179.8	-70.9	-34.1	0	0	0	112	P165 V167 I171 L172 Q173 K205	P165-N169 WeakPolarHBondContact O-CB 3.18Å; P165-N169 PolarHBondContact O-N 3.31Å; P165-N169 PolarHBondContact O-ND2 3.41Å; V167-N169 PolarHBondContact O-N 3.39Å; N169-I171 PolarHBondContact O-N 3.36Å; N169-L172 PolarHBondContact O-N 3.41Å; N169-Q173 WeakPolarHBondContact O-CB 3.48Å; N169-Q173 PolarHBondContact O-N 3.1Å; N169-K205 PolarHBondContact OD1-NZ 2.91Å
170	F	98.9	Very high	98.4	Very high	47 Å²	47	48.2 Å²	48.2	21%	0.206	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-47.7	174.2	175.7	-94.6	0	0	0	111.5	Y63 V65 W128 A166 V167 I168 L172 Q173 K174	Y63-F170 AromaticContact CD1-CE1 3.88Å; Y63-F170 HydrophobicContact CD1-CE1 3.88Å; Y63-F170 AromaticContact CD1-CZ 3.52Å; Y63-F170 HydrophobicContact CD1-CZ 3.52Å; Y63-F170 HydrophobicContact CD2-CE1 4.31Å; Y63-F170 HydrophobicContact CE1-CZ 4.28Å; Y63-F170 AromaticContact CG-CE1 3.67Å; Y63-F170 HydrophobicContact CG-CE1 3.67Å; Y63-F170 AromaticContact CG-CZ 3.78Å; Y63-F170 HydrophobicContact CG-CZ 3.78Å; V65-F170 HydrophobicContact CG1-CB 3.97Å; V65-F170 HydrophobicContact CG1-CG 4.36Å; V65-F170 HydrophobicContact CG2-CB 4.02Å; V65-F170 HydrophobicContact CG2-CD1 3.61Å; V65-F170 HydrophobicContact CG2-CD2 4.09Å; V65-F170 HydrophobicContact CG2-CE1 4.08Å; V65-F170 HydrophobicContact CG2-CG 3.62Å; W128-F170 HydrophobicContact CH2-CD1 4.5Å; W128-F170 AromaticContact CH2-CE1 3.99Å; W128-F170 HydrophobicContact CH2-CE1 3.99Å; W128-F170 HydrophobicContact CZ3-CD1 4.24Å; W128-F170 AromaticContact CZ3-CE1 3.87Å; W128-F170 HydrophobicContact CZ3-CE1 3.87Å; A166-F170 VanDerWaalsContact O-CB 3.27Å; A166-F170 WeakPolarHBondContact O-CB 3.32Å; A166-F170 PolarHBondContact O-N 2.83Å; V167-F170 PolarHBondContact O-N 3.18Å; I168-F170 PolarHBondContact O-N 2.95Å; F170-L172 PolarHBondContact O-N 3.37Å; F170-Q173 PolarHBondContact O-N 3.25Å; F170-K174 HydrophobicContact CE1-CB 4.4Å; F170-K174 VanDerWaalsContact O-CB 3.28Å; F170-K174 WeakPolarHBondContact O-CB 3.23Å; F170-K174 PolarHBondContact O-N 3.14Å
171	I	98.8	Very high	98.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-46.5	179.9	-68.7	169.1	0	0	0	111.1	V93 L95 W128 V167 I168 N169 Q173 K174 T175 I180	V93-I171 HydrophobicContact CG1-CG2 3.48Å; V93-I171 VanDerWaalsContact CG1-CG2 3.48Å; L95-I171 HydrophobicContact CD1-CD1 4.01Å; L95-I171 HydrophobicContact CD2-CD1 4.36Å; W128-I171 HydrophobicContact CB-CD1 3.72Å; W128-I171 HydrophobicContact CB-CG1 4.5Å; W128-I171 HydrophobicContact CD2-CB 4.47Å; W128-I171 HydrophobicContact CD2-CD1 3.84Å; W128-I171 HydrophobicContact CD2-CG1 3.61Å; W128-I171 HydrophobicContact CD2-CG2 4.11Å; W128-I171 HydrophobicContact CE3-CD1 3.92Å; W128-I171 HydrophobicContact CE3-CG1 3.56Å; W128-I171 HydrophobicContact CG-CD1 3.78Å; W128-I171 HydrophobicContact CG-CG1 4.06Å; W128-I171 HydrophobicContact CG-CG2 4.2Å; W128-I171 HydrophobicContact CH2-CG1 4.38Å; W128-I171 HydrophobicContact CZ2-CG1 4.43Å; W128-I171 HydrophobicContact CZ2-CG2 4.38Å; W128-I171 HydrophobicContact CZ3-CG1 3.96Å; V167-I171 HydrophobicContact CG1-CD1 3.66Å; V167-I171 HydrophobicContact CG1-CG1 4.39Å; V167-I171 WeakPolarHBondContact O-CG1 3.41Å; V167-I171 PolarHBondContact O-N 2.87Å; I168-I171 PolarHBondContact O-N 3.42Å; N169-I171 PolarHBondContact O-N 3.36Å; I171-Q173 VanDerWaalsContact C-N 3.32Å; I171-Q173 PolarHBondContact O-N 2.69Å; I171-K174 PolarHBondContact O-N 3.43Å; I171-T175 HydrophobicContact CG2-CG2 4.24Å; I171-T175 WeakPolarHBondContact O-CB 3.46Å; I171-T175 VanDerWaalsContact O-CG2 3.29Å; I171-T175 WeakPolarHBondContact O-CG2 3.33Å; I171-T175 PolarHBondContact O-N 3.03Å; I171-T175 PolarHBondContact O-OG1 2.95Å; I171-I180 HydrophobicContact CG2-CG2 4.28Å
172	L	98.7	Very high	98.4	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-41.9	178.2	-67.8	167	0	0	0	111.6	I168 N169 F170 G176 Q177 I180 K205	I168-L172 HydrophobicContact CG2-CD1 3.81Å; I168-L172 HydrophobicContact CG2-CG 4.41Å; I168-L172 VanDerWaalsContact O-CG 3.24Å; I168-L172 WeakPolarHBondContact O-CG 3.45Å; I168-L172 PolarHBondContact O-N 3.13Å; N169-L172 PolarHBondContact O-N 3.41Å; F170-L172 PolarHBondContact O-N 3.37Å; L172-G176 WeakPolarHBondContact O-CA 3.34Å; L172-G176 PolarHBondContact O-N 3.45Å; L172-Q177 HydrophobicContact CD2-CB 4.33Å; L172-Q177 WeakPolarHBondContact CD2-O 3.23Å; L172-I180 HydrophobicContact CD2-CG2 3.74Å; L172-I180 HydrophobicContact CG-CG2 4.36Å; L172-K205 HydrophobicContact CD1-CB 3.9Å; L172-K205 HydrophobicContact CD1-CD 3.63Å; L172-K205 HydrophobicContact CD1-CG 3.87Å
173	Q	98.4	Very high	98.4	Very high	162 Å²	162	40.3 Å²	40.3	76%	0.757	21%	0.205	S	C	*	.	H	α-helix	trans	-64.5	-45.7	175.9	-174.7	-177.8	17.8	0	0	111.6	N169 F170 I171	N169-Q173 WeakPolarHBondContact O-CB 3.48Å; N169-Q173 PolarHBondContact O-N 3.1Å; F170-Q173 PolarHBondContact O-N 3.25Å; I171-Q173 VanDerWaalsContact C-N 3.32Å; I171-Q173 PolarHBondContact O-N 2.69Å
174	K	98.2	Very high	98.4	Very high	108 Å²	108	40.1 Å²	40.1	47%	0.47	20%	0.204	S	C	.	.	H	α-helix	trans	-67.3	-37.4	-176.8	-175.9	64.5	174.2	-170.4	0	112.7	Y63 W128 F170 I171	Y63-K174 HydrophobicContact CE1-CD 4.34Å; Y63-K174 VanDerWaalsContact CE1-CE 3.48Å; Y63-K174 WeakPolarHBondContact OH-CE 3.38Å; W128-K174 HydrophobicContact CH2-CB 4.38Å; W128-K174 HydrophobicContact CH2-CG 3.99Å; W128-K174 HydrophobicContact CZ2-CG 4.25Å; F170-K174 HydrophobicContact CE1-CB 4.4Å; F170-K174 VanDerWaalsContact O-CB 3.28Å; F170-K174 WeakPolarHBondContact O-CB 3.23Å; F170-K174 PolarHBondContact O-N 3.14Å; I171-K174 PolarHBondContact O-N 3.43Å
175	T	97.3	Very high	98.4	Very high	28 Å²	28	40.7 Å²	40.7	17%	0.172	21%	0.207	C	C	.	.	H	α-helix	trans	-95.7	-17.3	-174.5	61.8	0	0	0	0	113.5	V93 D126 W128 I171 Q177	V93-T175 HydrophobicContact CG2-CG2 3.9Å; D126-T175 WeakPolarHBondContact OD2-CG2 3.43Å; W128-T175 HydrophobicContact CZ2-CG2 3.85Å; I171-T175 HydrophobicContact CG2-CG2 4.24Å; I171-T175 WeakPolarHBondContact O-CB 3.46Å; I171-T175 VanDerWaalsContact O-CG2 3.29Å; I171-T175 WeakPolarHBondContact O-CG2 3.33Å; I171-T175 PolarHBondContact O-N 3.03Å; I171-T175 PolarHBondContact O-OG1 2.95Å; T175-Q177 PolarHBondContact O-N 3.37Å; T175-Q177 WeakPolarHBondContact OG1-CB 3.21Å; T175-Q177 PolarHBondContact OG1-N 3.06Å
176	G	97	Very high	98.4	Very high	52 Å²	52	40 Å²	40	54%	0.536	20%	0.202	S	C	.	.			trans	72.9	-0.7	-172	0	0	0	0	0	114.3	L172	L172-G176 WeakPolarHBondContact O-CA 3.34Å; L172-G176 PolarHBondContact O-N 3.45Å
177	Q	96.5	Very high	98.4	Very high	44 Å²	44	39.2 Å²	39.2	21%	0.206	20%	0.195	C	C	.	.			trans	-65.5	152.8	175.7	-70.8	-74.6	-14	0	0	110.8	S90 R91 V93 L172 T175	S90-Q177 PolarHBondContact OG-NE2 2.86Å; R91-Q177 PolarHBondContact O-NE2 2.93Å; V93-Q177 HydrophobicContact CG2-CB 4.43Å; V93-Q177 HydrophobicContact CG2-CG 3.78Å; L172-Q177 HydrophobicContact CD2-CB 4.33Å; L172-Q177 WeakPolarHBondContact CD2-O 3.23Å; T175-Q177 PolarHBondContact O-N 3.37Å; T175-Q177 WeakPolarHBondContact OG1-CB 3.21Å; T175-Q177 PolarHBondContact OG1-N 3.06Å
178	K	97.5	Very high	98.4	Very high	173 Å²	173	39 Å²	39	75%	0.752	19%	0.194	S	C	*	.	S	Bend	trans	-97.7	-24.5	177.2	-59.3	-53.2	-177.2	-172.3	0	113.4
179	K	98.2	Very high	98.4	Very high	95 Å²	95	39 Å²	39	41%	0.413	19%	0.194	S	C	.	.			trans	-144.2	155.2	177.8	-56.3	-169.8	-179.1	-167.8	0	110.6	H204 K205 K207	K179-H204 WeakPolarHBondContact CD-O 3.26Å; K179-H204 WeakPolarHBondContact CE-O 3.46Å; K179-H204 PolarHBondContact NZ-O 3.12Å; K179-K205 CarbonylContact C-O 3.49Å; K179-K205 WeakPolarHBondContact CA-O 3.43Å; K179-K205 WeakPolarHBondContact CB-O 3.45Å; K179-K207 HydrophobicContact CB-CD 4.41Å; K179-K207 HydrophobicContact CB-CG 3.5Å; K179-K207 HydrophobicContact CD-CG 4.18Å; K179-K207 HydrophobicContact CG-CG 4.49Å
180	I	98.6	Very high	98.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	162.1	176.4	70.5	172.5	0	0	0	110.8	V93 L95 I168 I171 L172 K205 I206 K207	V93-I180 HydrophobicContact CB-CB 4.25Å; V93-I180 HydrophobicContact CB-CG2 3.82Å; V93-I180 HydrophobicContact CG1-CB 3.92Å; V93-I180 HydrophobicContact CG1-CG2 3.46Å; V93-I180 VanDerWaalsContact CG1-CG2 3.46Å; L95-I180 HydrophobicContact CB-CD1 3.72Å; L95-I180 HydrophobicContact CD2-CD1 4.19Å; I168-I180 HydrophobicContact CB-CD1 4.46Å; I168-I180 HydrophobicContact CG1-CD1 3.9Å; I168-I180 HydrophobicContact CG2-CD1 4.13Å; I171-I180 HydrophobicContact CG2-CG2 4.28Å; L172-I180 HydrophobicContact CD2-CG2 3.74Å; L172-I180 HydrophobicContact CG-CG2 4.36Å; I180-K205 PolarHBondContact N-O 3.01Å; I180-I206 HydrophobicContact CD1-CD1 4.31Å; I180-I206 HydrophobicContact CG1-CD1 3.86Å; I180-I206 CarbonylContact O-C 3.41Å; I180-I206 WeakPolarHBondContact O-CA 3.37Å; I180-K207 PolarHBondContact O-N 3.07Å
181	Y	98.9	Very high	98.4	Very high	6 Å²	6	33.8 Å²	33.8	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	143.6	160.3	-61.2	-77.1	0	0	0	109.7	P92 V93 V94 L95 F125 K207 M208 F210 M407 E410	P92-Y181 HydrophobicContact CB-CE2 4.05Å; V93-Y181 PolarHBondContact O-N 2.92Å; V94-Y181 WeakPolarHBondContact CA-O 3.43Å; V94-Y181 HydrophobicContact CG2-CD2 4.18Å; L95-Y181 PolarHBondContact N-O 3.3Å; F125-Y181 HydrophobicContact CE1-CD2 4.37Å; F125-Y181 HydrophobicContact CE1-CE2 4.15Å; Y181-K207 HydrophobicContact CD1-CB 3.75Å; Y181-K207 HydrophobicContact CD1-CD 4.41Å; Y181-K207 HydrophobicContact CD2-CD 4.34Å; Y181-K207 HydrophobicContact CE1-CB 3.64Å; Y181-K207 HydrophobicContact CE1-CD 3.88Å; Y181-K207 HydrophobicContact CE1-CG 4.42Å; Y181-K207 HydrophobicContact CE2-CD 3.78Å; Y181-K207 HydrophobicContact CG-CB 4.42Å; Y181-M208 HydrophobicContact CD1-CB 3.88Å; Y181-M208 HydrophobicContact CE1-CB 4.15Å; Y181-F210 AromaticContact CD1-CE2 3.82Å; Y181-F210 HydrophobicContact CD1-CE2 3.82Å; Y181-F210 HydrophobicContact CD1-CZ 4.39Å; Y181-F210 HydrophobicContact CG-CE2 4.29Å; Y181-M407 HydrophobicContact CD1-CG 3.95Å; Y181-M407 HydrophobicContact CD2-CG 4.23Å; Y181-M407 HydrophobicContact CD2-SD 4.33Å; Y181-M407 HydrophobicContact CE1-CB 4.26Å; Y181-M407 HydrophobicContact CE1-CG 4.02Å; Y181-M407 HydrophobicContact CE2-CB 4.32Å; Y181-M407 HydrophobicContact CE2-CG 4.31Å; Y181-M407 HydrophobicContact CG-CE 4.1Å; Y181-M407 HydrophobicContact CG-CG 4.06Å; Y181-M407 HydrophobicContact CG-SD 4.35Å; Y181-M407 PolarHBondContact OH-O 3.37Å; Y181-M407 VanDerWaalsContact OH-O 3.1Å; Y181-E410 PolarHBondContact OH-OE2 3.1Å
182	Y	98.9	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.2	175.4	-178.4	-95.4	0	0	0	109.8	L95 Q97 L164 G188 F196 M208 Y209 F210	L95-Y182 HydrophobicContact CB-CD2 4.35Å; L95-Y182 HydrophobicContact CD2-CD2 3.99Å; L95-Y182 HydrophobicContact CD2-CE2 4.14Å; L95-Y182 HydrophobicContact CG-CD2 4.15Å; L95-Y182 HydrophobicContact CG-CE2 4.38Å; Q97-Y182 HydrophobicContact CB-CE2 3.78Å; Q97-Y182 VanDerWaalsContact CB-OH 3.24Å; Q97-Y182 WeakPolarHBondContact CB-OH 3.31Å; Q97-Y182 HydrophobicContact CG-CE2 4.47Å; Q97-Y182 WeakPolarHBondContact CG-OH 3.34Å; L164-Y182 HydrophobicContact CD1-CE2 4.42Å; L164-Y182 HydrophobicContact CD2-CE2 3.67Å; Y182-G188 PolarHBondContact OH-O 3.06Å; Y182-F196 AromaticContact CD1-CE2 3.66Å; Y182-F196 HydrophobicContact CD1-CE2 3.66Å; Y182-F196 AromaticContact CD1-CZ 3.94Å; Y182-F196 HydrophobicContact CD1-CZ 3.94Å; Y182-F196 HydrophobicContact CD2-CZ 4.09Å; Y182-F196 HydrophobicContact CE1-CE2 4.08Å; Y182-F196 HydrophobicContact CE1-CZ 4.3Å; Y182-F196 HydrophobicContact CE2-CZ 4.43Å; Y182-F196 AromaticContact CG-CE2 3.96Å; Y182-F196 HydrophobicContact CG-CE2 3.96Å; Y182-F196 AromaticContact CG-CZ 3.82Å; Y182-F196 HydrophobicContact CG-CZ 3.82Å; Y182-M208 PolarHBondContact N-O 2.65Å; Y182-Y209 AromaticContact CD1-CD2 3.42Å; Y182-Y209 HydrophobicContact CD1-CD2 3.42Å; Y182-Y209 VanDerWaalsContact CD1-CD2 3.42Å; Y182-Y209 AromaticContact CD1-CE2 3.51Å; Y182-Y209 HydrophobicContact CD1-CE2 3.51Å; Y182-Y209 HydrophobicContact CD1-CG 4.27Å; Y182-Y209 HydrophobicContact CE1-CD2 4.03Å; Y182-Y209 AromaticContact CE1-CE2 3.61Å; Y182-Y209 HydrophobicContact CE1-CE2 3.61Å; Y182-Y209 HydrophobicContact CG-CD2 4.49Å; Y182-Y209 CarbonylContact O-C 3.57Å; Y182-Y209 WeakPolarHBondContact O-CA 3.25Å; Y182-F210 PolarHBondContact O-N 3.44Å
183	V	98.9	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.5	172.5	-172.3	0	0	0	0	107.7	V94 L95 L96 Q97 W107 L116 F210 L212 M407	V94-V183 HydrophobicContact CG1-CG2 3.75Å; L95-V183 PolarHBondContact O-N 2.83Å; L96-V183 WeakPolarHBondContact CA-O 3.45Å; L96-V183 HydrophobicContact CD2-CB 3.56Å; L96-V183 HydrophobicContact CD2-CG1 4.24Å; L96-V183 HydrophobicContact CD2-CG2 3.61Å; Q97-V183 PolarHBondContact N-O 3.21Å; W107-V183 HydrophobicContact CH2-CG1 4.05Å; W107-V183 HydrophobicContact CZ3-CG1 4.37Å; L116-V183 HydrophobicContact CD2-CG1 4.07Å; V183-F210 CarbonylContact C-O 3.59Å; V183-F210 VanDerWaalsContact CA-O 3.32Å; V183-F210 WeakPolarHBondContact CA-O 3.21Å; V183-F210 HydrophobicContact CB-CB 4.32Å; V183-F210 HydrophobicContact CG1-CB 4.12Å; V183-F210 HydrophobicContact CG2-CB 4.03Å; V183-F210 HydrophobicContact CG2-CD2 3.94Å; V183-F210 HydrophobicContact CG2-CG 4.3Å; V183-L212 HydrophobicContact CG1-CD1 3.85Å; V183-L212 HydrophobicContact CG1-CG 4.14Å; V183-M407 HydrophobicContact CG2-CE 4.12Å
184	G	98.9	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.4	175.5	0	0	0	0	0	110.6	T189 F210 L212	G184-T189 VanDerWaalsContact C-CG2 3.41Å; G184-T189 WeakPolarHBondContact O-CG2 3.29Å; G184-F210 PolarHBondContact N-O 3Å; G184-L212 PolarHBondContact O-N 3.04Å
185	Y	98.8	Very high	98.4	Very high	13 Å²	13	20.2 Å²	20.2	5%	0.051	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.4	168.8	167.2	-114.1	0	0	0	110.6	Q97 H98 G99 Q187 G188 L212 A213 H386 F389 I390	Q97-Y185 PolarHBondContact O-N 3.4Å; H98-Y185 CarbonylContact C-O 3.52Å; G99-Y185 VanDerWaalsContact CA-O 3.23Å; G99-Y185 WeakPolarHBondContact CA-O 3.48Å; G99-Y185 PolarHBondContact N-O 2.78Å; Y185-Q187 PolarHBondContact O-N 2.88Å; Y185-G188 WeakPolarHBondContact O-CA 3.5Å; Y185-G188 PolarHBondContact O-N 2.9Å; Y185-L212 WeakPolarHBondContact CA-O 3.23Å; Y185-L212 HydrophobicContact CD2-CB 4.32Å; Y185-A213 HydrophobicContact CD2-CB 4.17Å; Y185-A213 HydrophobicContact CE2-CB 3.89Å; Y185-H386 WeakPolarHBondContact CE2-O 3.44Å; Y185-H386 AromaticContact CZ-CD2 3.84Å; Y185-H386 AromaticContact CZ-NE2 3.95Å; Y185-H386 PolarHBondContact OH-CD2 3.25Å; Y185-H386 PolarHBondContact OH-O 3.21Å; Y185-F389 HydrophobicContact CD2-CB 3.97Å; Y185-F389 HydrophobicContact CE2-CB 3.96Å; Y185-F389 HydrophobicContact CE2-CD2 4.47Å; Y185-I390 HydrophobicContact CD1-CD1 4.28Å; Y185-I390 HydrophobicContact CD1-CG2 3.82Å; Y185-I390 HydrophobicContact CD2-CG2 4.16Å; Y185-I390 HydrophobicContact CE1-CD1 3.66Å; Y185-I390 HydrophobicContact CE1-CG1 4.15Å; Y185-I390 HydrophobicContact CE1-CG2 4.15Å; Y185-I390 HydrophobicContact CE2-CG2 4.46Å; Y185-I390 HydrophobicContact CG-CG2 3.82Å
186	S	98.1	Very high	98.5	Very high	6 Å²	6	19 Å²	19	4%	0.042	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-123.6	173.6	-175.3	0	0	0	0	111.8	G188 T189 T190 L212 A213 H386	S186-G188 PolarHBondContact O-N 3.24Å; S186-G188 VanDerWaalsContact O-N 3.15Å; S186-T189 WeakPolarHBondContact O-CA 3.37Å; S186-T189 VanDerWaalsContact O-CB 3.29Å; S186-T189 WeakPolarHBondContact O-CB 3.12Å; S186-T189 PolarHBondContact O-N 2.68Å; S186-T189 PolarHBondContact O-OG1 2.95Å; S186-T190 PolarHBondContact O-N 2.95Å; S186-L212 PolarHBondContact N-O 3.18Å; S186-L212 VanDerWaalsContact N-O 3.07Å; S186-A213 WeakPolarHBondContact CA-O 3.06Å; S186-H386 WeakPolarHBondContact CB-NE2 3.14Å; S186-H386 PolarHBondContact OG-CE1 2.88Å; S186-H386 PolarHBondContact OG-NE2 2.92Å
187	Q	98.6	Very high	98.5	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.014	8%	0.077	C	C	.	.	H	α-helix	trans	-54	-31.4	173.8	-178.3	177.8	-75	0	0	113.7	L100 M159 Y185 T189 T190 M191 N304 W308	L100-Q187 HydrophobicContact CB-CB 4.08Å; M159-Q187 PolarHBondContact SD-NE2 3.46Å; Y185-Q187 PolarHBondContact O-N 2.88Å; Q187-T189 PolarHBondContact O-N 3.13Å; Q187-T190 WeakPolarHBondContact O-CA 3.41Å; Q187-T190 VanDerWaalsContact O-CB 3.31Å; Q187-T190 WeakPolarHBondContact O-CB 3.4Å; Q187-T190 PolarHBondContact O-N 2.99Å; Q187-M191 WeakPolarHBondContact O-CG 3.22Å; Q187-M191 PolarHBondContact O-N 2.58Å; Q187-N304 PolarHBondContact OE1-ND2 2.72Å; Q187-W308 HydrophobicContact CB-CZ2 3.99Å; Q187-W308 HydrophobicContact CG-CZ2 3.9Å
188	G	98.8	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60	-25.9	172.9	0	0	0	0	0	112.3	H98 Y182 Y185 S186 G192	H98-G188 VanDerWaalsContact O-CA 3.23Å; H98-G188 WeakPolarHBondContact O-CA 3.46Å; H98-G188 PolarHBondContact O-N 3.05Å; H98-G188 VanDerWaalsContact O-N 3.16Å; Y182-G188 PolarHBondContact OH-O 3.06Å; Y185-G188 WeakPolarHBondContact O-CA 3.5Å; Y185-G188 PolarHBondContact O-N 2.9Å; S186-G188 PolarHBondContact O-N 3.24Å; S186-G188 VanDerWaalsContact O-N 3.15Å; G188-G192 PolarHBondContact O-N 2.98Å
189	T	98.9	Very high	98.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-74.3	-41.8	170.4	71.3	0	0	0	0	112.7	G184 S186 Q187 M191 G192 F193 Y209 A211 P214 I215	G184-T189 VanDerWaalsContact C-CG2 3.41Å; G184-T189 WeakPolarHBondContact O-CG2 3.29Å; S186-T189 WeakPolarHBondContact O-CA 3.37Å; S186-T189 VanDerWaalsContact O-CB 3.29Å; S186-T189 WeakPolarHBondContact O-CB 3.12Å; S186-T189 PolarHBondContact O-N 2.68Å; S186-T189 PolarHBondContact O-OG1 2.95Å; Q187-T189 PolarHBondContact O-N 3.13Å; T189-M191 VanDerWaalsContact C-N 3.29Å; T189-M191 PolarHBondContact O-N 2.97Å; T189-G192 WeakPolarHBondContact O-CA 3.36Å; T189-G192 PolarHBondContact O-N 3.13Å; T189-F193 WeakPolarHBondContact O-CD2 3.06Å; T189-F193 WeakPolarHBondContact O-CG 3.49Å; T189-F193 PolarHBondContact O-N 3.03Å; T189-Y209 WeakPolarHBondContact CA-OH 3.38Å; T189-Y209 WeakPolarHBondContact CB-OH 3.46Å; T189-Y209 PolarHBondContact O-OH 2.98Å; T189-A211 HydrophobicContact CG2-CB 3.86Å; T189-P214 HydrophobicContact CG2-CB 4.5Å; T189-P214 WeakPolarHBondContact OG1-CA 3.41Å; T189-I215 PolarHBondContact OG1-N 3.48Å
190	T	98.8	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.4	-44.9	175.1	-47.3	0	0	0	0	110.9	Y156 S186 Q187 G192 F193 I194 I215 W308 L317	Y156-T190 HydrophobicContact CD2-CG2 4.2Å; Y156-T190 HydrophobicContact CE2-CG2 4.35Å; S186-T190 PolarHBondContact O-N 2.95Å; Q187-T190 WeakPolarHBondContact O-CA 3.41Å; Q187-T190 VanDerWaalsContact O-CB 3.31Å; Q187-T190 WeakPolarHBondContact O-CB 3.4Å; Q187-T190 PolarHBondContact O-N 2.99Å; T190-G192 VanDerWaalsContact C-N 3.3Å; T190-G192 PolarHBondContact O-N 2.67Å; T190-F193 PolarHBondContact O-N 3.08Å; T190-I194 HydrophobicContact CG2-CD1 4Å; T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 2.98Å; T190-I215 WeakPolarHBondContact CA-O 3.25Å; T190-I215 WeakPolarHBondContact CB-O 3.35Å; T190-I215 PolarHBondContact OG1-O 3.43Å; T190-W308 HydrophobicContact CG2-CH2 4.13Å; T190-W308 WeakPolarHBondContact OG1-CH2 3.2Å; T190-L317 HydrophobicContact CG2-CD1 3.62Å
191	M	98.8	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.4	-45.3	174.5	-66.8	168.4	53.5	0	0	111.6	Q97 M159 A160 L164 Q187 T189 A195	Q97-M191 HydrophobicContact CG-CE 3.85Å; Q97-M191 HydrophobicContact CG-SD 4.09Å; M159-M191 HydrophobicContact CB-CE 3.74Å; M159-M191 HydrophobicContact CB-CG 4.03Å; M159-M191 HydrophobicContact CB-SD 3.83Å; M159-M191 HydrophobicContact SD-SD 4.17Å; A160-M191 HydrophobicContact CB-CB 4.43Å; L164-M191 HydrophobicContact CD1-CB 3.75Å; L164-M191 HydrophobicContact CD1-CE 4.27Å; L164-M191 HydrophobicContact CD2-CE 3.84Å; L164-M191 HydrophobicContact CG-CB 4.37Å; L164-M191 HydrophobicContact CG-CE 3.71Å; Q187-M191 WeakPolarHBondContact O-CG 3.22Å; Q187-M191 PolarHBondContact O-N 2.58Å; T189-M191 VanDerWaalsContact C-N 3.29Å; T189-M191 PolarHBondContact O-N 2.97Å; M191-A195 WeakPolarHBondContact O-CB 3.47Å; M191-A195 PolarHBondContact O-N 2.96Å
192	G	98.8	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-46.3	176.1	0	0	0	0	0	112.8	G188 T189 T190 I194 A195 F196	G188-G192 PolarHBondContact O-N 2.98Å; T189-G192 WeakPolarHBondContact O-CA 3.36Å; T189-G192 PolarHBondContact O-N 3.13Å; T190-G192 VanDerWaalsContact C-N 3.3Å; T190-G192 PolarHBondContact O-N 2.67Å; G192-I194 VanDerWaalsContact C-N 3.35Å; G192-I194 PolarHBondContact O-N 3.07Å; G192-A195 PolarHBondContact O-N 2.88Å; G192-F196 VanDerWaalsContact O-CB 3.26Å; G192-F196 WeakPolarHBondContact O-CB 3.23Å; G192-F196 WeakPolarHBondContact O-CD2 3.31Å; G192-F196 WeakPolarHBondContact O-CG 3.28Å; G192-F196 PolarHBondContact O-N 3.3Å
193	F	98.8	Very high	98.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-44.4	178	-69.6	-53.2	0	0	0	111.9	T189 T190 S197 Y209 A211 P214 L317 V342 M345 L368 V372	T189-F193 WeakPolarHBondContact O-CD2 3.06Å; T189-F193 WeakPolarHBondContact O-CG 3.49Å; T189-F193 PolarHBondContact O-N 3.03Å; T190-F193 PolarHBondContact O-N 3.08Å; F193-S197 VanDerWaalsContact O-CB 3.23Å; F193-S197 WeakPolarHBondContact O-CB 3.16Å; F193-S197 PolarHBondContact O-N 3.21Å; F193-S197 PolarHBondContact O-OG 3.27Å; F193-Y209 AromaticContact CD1-CE1 3.81Å; F193-Y209 HydrophobicContact CD1-CE1 3.81Å; F193-Y209 AromaticContact CE1-CE1 3.69Å; F193-Y209 HydrophobicContact CE1-CE1 3.69Å; F193-Y209 HydrophobicContact CG-CE1 4.38Å; F193-Y209 HydrophobicContact CZ-CE1 4.18Å; F193-A211 HydrophobicContact CZ-CB 4.29Å; F193-P214 HydrophobicContact CE2-CB 3.97Å; F193-P214 HydrophobicContact CZ-CB 4.06Å; F193-L317 HydrophobicContact CB-CD2 4.43Å; F193-V342 HydrophobicContact CB-CG2 4.31Å; F193-V342 HydrophobicContact CD1-CG1 3.78Å; F193-V342 HydrophobicContact CE1-CG1 4.19Å; F193-V342 HydrophobicContact CG-CG1 4.44Å; F193-V342 HydrophobicContact CG-CG2 4.48Å; F193-M345 HydrophobicContact CD1-CE 4Å; F193-M345 HydrophobicContact CD1-SD 3.83Å; F193-M345 HydrophobicContact CE1-CE 3.99Å; F193-M345 HydrophobicContact CE1-SD 4.31Å; F193-L368 HydrophobicContact CE1-CD1 4.45Å; F193-L368 HydrophobicContact CE2-CD1 4.43Å; F193-L368 HydrophobicContact CE2-CD2 3.84Å; F193-L368 HydrophobicContact CZ-CD1 4.25Å; F193-L368 HydrophobicContact CZ-CD2 3.91Å; F193-L368 HydrophobicContact CZ-CG 4.46Å; F193-V372 HydrophobicContact CE1-CG2 4.1Å
194	I	98.7	Very high	98.5	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-54.3	177.4	-64.8	169.3	0	0	0	109.8	Y156 A160 T190 G192 F196 S197 T198 L317 Y340	Y156-I194 HydrophobicContact CD2-CD1 3.73Å; Y156-I194 HydrophobicContact CE2-CD1 4.11Å; A160-I194 HydrophobicContact CB-CB 3.7Å; A160-I194 HydrophobicContact CB-CD1 4.41Å; A160-I194 HydrophobicContact CB-CG2 3.56Å; T190-I194 HydrophobicContact CG2-CD1 4Å; T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 2.98Å; G192-I194 VanDerWaalsContact C-N 3.35Å; G192-I194 PolarHBondContact O-N 3.07Å; I194-F196 PolarHBondContact O-N 3.47Å; I194-S197 PolarHBondContact O-N 3.33Å; I194-S197 PolarHBondContact O-OG 3.11Å; I194-S197 VanDerWaalsContact O-OG 3.12Å; I194-T198 WeakPolarHBondContact O-CB 3.46Å; I194-T198 WeakPolarHBondContact O-CG2 3.24Å; I194-T198 PolarHBondContact O-N 2.86Å; I194-T198 PolarHBondContact O-OG1 2.53Å; I194-L317 HydrophobicContact CD1-CD1 4.21Å; I194-L317 HydrophobicContact CG1-CD1 4.3Å; I194-L317 HydrophobicContact CG1-CD2 4.29Å; I194-Y340 HydrophobicContact CD1-CD2 3.94Å; I194-Y340 HydrophobicContact CD1-CE2 3.78Å; I194-Y340 HydrophobicContact CG1-CD2 3.7Å; I194-Y340 HydrophobicContact CG1-CE2 3.96Å; I194-Y340 HydrophobicContact CG1-CG 4Å; I194-Y340 HydrophobicContact CG2-CD1 3.99Å; I194-Y340 HydrophobicContact CG2-CD2 4.36Å; I194-Y340 HydrophobicContact CG2-CE1 3.75Å; I194-Y340 HydrophobicContact CG2-CE2 4.11Å; I194-Y340 HydrophobicContact CG2-CG 4.28Å
195	A	98.8	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-45.2	-173.6	0	0	0	0	0	112.3	A160 L164 M191 G192 T198 M199 L202	A160-A195 HydrophobicContact CB-CB 4.33Å; L164-A195 HydrophobicContact CD1-CB 3.76Å; M191-A195 WeakPolarHBondContact O-CB 3.47Å; M191-A195 PolarHBondContact O-N 2.96Å; G192-A195 PolarHBondContact O-N 2.88Å; A195-T198 PolarHBondContact O-N 3.14Å; A195-M199 VanDerWaalsContact CA-CE 3.46Å; A195-M199 HydrophobicContact CB-CE 3.46Å; A195-M199 VanDerWaalsContact CB-CE 3.46Å; A195-M199 WeakPolarHBondContact O-CB 3.23Å; A195-M199 PolarHBondContact O-N 3.03Å; A195-L202 HydrophobicContact CB-CD2 4.01Å
196	F	98.6	Very high	98.5	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-82.6	-13.5	-174.3	-51.7	-29.8	0	0	0	113.8	I168 Y182 G192 I194 L202 A203 I206 Y209 M345 V347	I168-F196 HydrophobicContact CD1-CE1 4.16Å; Y182-F196 AromaticContact CD1-CE2 3.66Å; Y182-F196 HydrophobicContact CD1-CE2 3.66Å; Y182-F196 AromaticContact CD1-CZ 3.94Å; Y182-F196 HydrophobicContact CD1-CZ 3.94Å; Y182-F196 HydrophobicContact CD2-CZ 4.09Å; Y182-F196 HydrophobicContact CE1-CE2 4.08Å; Y182-F196 HydrophobicContact CE1-CZ 4.3Å; Y182-F196 HydrophobicContact CE2-CZ 4.43Å; Y182-F196 AromaticContact CG-CE2 3.96Å; Y182-F196 HydrophobicContact CG-CE2 3.96Å; Y182-F196 AromaticContact CG-CZ 3.82Å; Y182-F196 HydrophobicContact CG-CZ 3.82Å; G192-F196 VanDerWaalsContact O-CB 3.26Å; G192-F196 WeakPolarHBondContact O-CB 3.23Å; G192-F196 WeakPolarHBondContact O-CD2 3.31Å; G192-F196 WeakPolarHBondContact O-CG 3.28Å; G192-F196 PolarHBondContact O-N 3.3Å; I194-F196 PolarHBondContact O-N 3.47Å; F196-L202 HydrophobicContact CD1-CD2 4.22Å; F196-L202 HydrophobicContact CD1-CG 4.48Å; F196-L202 HydrophobicContact CE1-CD2 4.04Å; F196-L202 HydrophobicContact CE1-CG 4.35Å; F196-A203 HydrophobicContact CB-CB 4.17Å; F196-A203 WeakPolarHBondContact O-CB 3.45Å; F196-I206 HydrophobicContact CD1-CG1 4Å; F196-I206 HydrophobicContact CE1-CD1 3.88Å; F196-I206 HydrophobicContact CE1-CG1 3.58Å; F196-I206 HydrophobicContact CE2-CG1 4.18Å; F196-I206 HydrophobicContact CG-CG1 4.49Å; F196-I206 HydrophobicContact CZ-CD1 3.85Å; F196-I206 HydrophobicContact CZ-CG1 3.69Å; F196-Y209 HydrophobicContact CD2-CD1 4.01Å; F196-Y209 HydrophobicContact CD2-CE1 4.37Å; F196-Y209 HydrophobicContact CD2-CG 4.39Å; F196-Y209 HydrophobicContact CE2-CD1 4.25Å; F196-Y209 HydrophobicContact CE2-CG 4.24Å; F196-M345 HydrophobicContact CB-CG 3.75Å; F196-M345 HydrophobicContact CB-SD 4.17Å; F196-M345 HydrophobicContact CD2-SD 4.46Å; F196-V347 HydrophobicContact CB-CG2 3.92Å; F196-V347 HydrophobicContact CD2-CG2 4.39Å; F196-V347 HydrophobicContact CG-CG2 4.2Å
197	S	98.4	Very high	98.5	Very high	13 Å²	13	30.1 Å²	30.1	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-88.9	-27.9	169.2	60.2	0	0	0	0	113.2	F193 I194 K341	F193-S197 VanDerWaalsContact O-CB 3.23Å; F193-S197 WeakPolarHBondContact O-CB 3.16Å; F193-S197 PolarHBondContact O-N 3.21Å; F193-S197 PolarHBondContact O-OG 3.27Å; I194-S197 PolarHBondContact O-N 3.33Å; I194-S197 PolarHBondContact O-OG 3.11Å; I194-S197 VanDerWaalsContact O-OG 3.12Å; S197-K341 VanDerWaalsContact CB-O 3.28Å; S197-K341 WeakPolarHBondContact CB-O 3.23Å
198	T	98.1	Very high	98.5	Very high	70 Å²	70	30.2 Å²	30.2	43%	0.429	15%	0.154	S	C	.	.	H	α-helix	trans	-102.7	-19.2	-174.4	60.5	0	0	0	0	114.2	I194 A195 P200 Y340	I194-T198 WeakPolarHBondContact O-CB 3.46Å; I194-T198 WeakPolarHBondContact O-CG2 3.24Å; I194-T198 PolarHBondContact O-N 2.86Å; I194-T198 PolarHBondContact O-OG1 2.53Å; A195-T198 PolarHBondContact O-N 3.14Å; T198-P200 WeakPolarHBondContact O-CD 3.41Å; T198-Y340 HydrophobicContact CG2-CD1 3.7Å; T198-Y340 HydrophobicContact CG2-CE1 4.09Å
199	M	98.3	Very high	98.5	Very high	45 Å²	45	30.2 Å²	30.2	22%	0.222	15%	0.154	C	C	.	.			trans	-123.6	84.2	-179.4	-60.7	179.1	-79.7	0	0	111.3	A160 P165 A195 E201 L202 A203	A160-M199 VanDerWaalsContact O-CE 3.22Å; A160-M199 WeakPolarHBondContact O-CE 3.41Å; P165-M199 HydrophobicContact CG-CE 3.73Å; P165-M199 HydrophobicContact CG-SD 3.71Å; A195-M199 VanDerWaalsContact CA-CE 3.46Å; A195-M199 HydrophobicContact CB-CE 3.46Å; A195-M199 VanDerWaalsContact CB-CE 3.46Å; A195-M199 WeakPolarHBondContact O-CB 3.23Å; A195-M199 PolarHBondContact O-N 3.03Å; M199-E201 VanDerWaalsContact C-N 3.28Å; M199-E201 PolarHBondContact O-N 3.16Å; M199-L202 HydrophobicContact CB-CB 3.91Å; M199-L202 HydrophobicContact CE-CD2 3.81Å; M199-L202 WeakPolarHBondContact O-CB 3.49Å; M199-L202 PolarHBondContact O-N 2.8Å; M199-A203 PolarHBondContact O-N 3.19Å
200	P	97.7	Very high	98.5	Very high	85 Å²	85	30.2 Å²	30.2	55%	0.552	15%	0.154	S	C	*	.	H	α-helix	trans	-55.2	-38.6	-177.6	-27.8	35.5	0	0	0	114	T198 L202 A203 H204	T198-P200 WeakPolarHBondContact O-CD 3.41Å; P200-L202 VanDerWaalsContact C-N 3.27Å; P200-L202 PolarHBondContact O-N 3.4Å; P200-A203 WeakPolarHBondContact O-CB 3.29Å; P200-A203 PolarHBondContact O-N 3.15Å; P200-H204 PolarHBondContact O-CD2 3.46Å; P200-H204 PolarHBondContact O-N 2.85Å
201	E	98	Very high	98.5	Very high	158 Å²	158	30.2 Å²	30.2	74%	0.738	15%	0.154	S	C	*	.	H	α-helix	trans	-62.7	-33.5	177.2	-63.6	-172.2	174	0	0	113.1	M199 K205	M199-E201 VanDerWaalsContact C-N 3.28Å; M199-E201 PolarHBondContact O-N 3.16Å; E201-K205 WeakPolarHBondContact O-CE 3.12Å
202	L	98.5	Very high	98.5	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-75.1	-44	174	-169.3	72.8	0	0	0	110.6	P165 I168 A195 F196 M199 P200 H204 K205	P165-L202 HydrophobicContact CB-CD1 4.31Å; P165-L202 HydrophobicContact CG-CD2 3.96Å; I168-L202 HydrophobicContact CB-CD1 4.03Å; I168-L202 HydrophobicContact CD1-CD1 3.93Å; I168-L202 HydrophobicContact CD1-CD2 4.12Å; I168-L202 HydrophobicContact CD1-CG 4.15Å; I168-L202 HydrophobicContact CG2-CD1 3.91Å; A195-L202 HydrophobicContact CB-CD2 4.01Å; F196-L202 HydrophobicContact CD1-CD2 4.22Å; F196-L202 HydrophobicContact CD1-CG 4.48Å; F196-L202 HydrophobicContact CE1-CD2 4.04Å; F196-L202 HydrophobicContact CE1-CG 4.35Å; M199-L202 HydrophobicContact CB-CB 3.91Å; M199-L202 HydrophobicContact CE-CD2 3.81Å; M199-L202 WeakPolarHBondContact O-CB 3.49Å; M199-L202 PolarHBondContact O-N 2.8Å; P200-L202 VanDerWaalsContact C-N 3.27Å; P200-L202 PolarHBondContact O-N 3.4Å; L202-H204 PolarHBondContact O-N 3.24Å; L202-K205 HydrophobicContact CD1-CD 4.36Å; L202-K205 WeakPolarHBondContact O-CA 3.48Å; L202-K205 VanDerWaalsContact O-CB 3.3Å; L202-K205 WeakPolarHBondContact O-CB 3.5Å; L202-K205 PolarHBondContact O-N 2.57Å
203	A	98.5	Very high	98.5	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-55.6	-39.4	177.6	0	0	0	0	0	112	F196 M199 P200 K205 I206 V347	F196-A203 HydrophobicContact CB-CB 4.17Å; F196-A203 WeakPolarHBondContact O-CB 3.45Å; M199-A203 PolarHBondContact O-N 3.19Å; P200-A203 WeakPolarHBondContact O-CB 3.29Å; P200-A203 PolarHBondContact O-N 3.15Å; A203-K205 PolarHBondContact O-N 2.66Å; A203-K205 VanDerWaalsContact O-N 3.15Å; A203-I206 PolarHBondContact O-N 3.39Å; A203-V347 HydrophobicContact CB-CG2 3.81Å
204	H	98.2	Very high	98.4	Very high	125 Å²	125	30.3 Å²	30.3	58%	0.579	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.3	176	-77.1	-59	0	0	0	114.5	K179 P200 L202 I206	K179-H204 WeakPolarHBondContact CD-O 3.26Å; K179-H204 WeakPolarHBondContact CE-O 3.46Å; K179-H204 PolarHBondContact NZ-O 3.12Å; P200-H204 PolarHBondContact O-CD2 3.46Å; P200-H204 PolarHBondContact O-N 2.85Å; L202-H204 PolarHBondContact O-N 3.24Å; H204-I206 VanDerWaalsContact C-N 3.31Å
205	K	98.6	Very high	98.3	Very high	54 Å²	54	30.4 Å²	30.4	24%	0.235	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.7	176.3	-61.8	163.6	-176	170.5	0	112.6	I168 N169 L172 K179 I180 E201 L202 A203	I168-K205 HydrophobicContact CG2-CB 4.4Å; N169-K205 PolarHBondContact OD1-NZ 2.91Å; L172-K205 HydrophobicContact CD1-CB 3.9Å; L172-K205 HydrophobicContact CD1-CD 3.63Å; L172-K205 HydrophobicContact CD1-CG 3.87Å; K179-K205 CarbonylContact C-O 3.49Å; K179-K205 WeakPolarHBondContact CA-O 3.43Å; K179-K205 WeakPolarHBondContact CB-O 3.45Å; I180-K205 PolarHBondContact N-O 3.01Å; E201-K205 WeakPolarHBondContact O-CE 3.12Å; L202-K205 HydrophobicContact CD1-CD 4.36Å; L202-K205 WeakPolarHBondContact O-CA 3.48Å; L202-K205 VanDerWaalsContact O-CB 3.3Å; L202-K205 WeakPolarHBondContact O-CB 3.5Å; L202-K205 PolarHBondContact O-N 2.57Å; A203-K205 PolarHBondContact O-N 2.66Å; A203-K205 VanDerWaalsContact O-N 3.15Å
206	I	98.7	Very high	97.9	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125	177.3	-50.2	-55.2	0	0	0	109.6	I168 I180 F196 A203 H204 M208 V347	I168-I206 HydrophobicContact CD1-CD1 4.06Å; I180-I206 HydrophobicContact CD1-CD1 4.31Å; I180-I206 HydrophobicContact CG1-CD1 3.86Å; I180-I206 CarbonylContact O-C 3.41Å; I180-I206 WeakPolarHBondContact O-CA 3.37Å; F196-I206 HydrophobicContact CD1-CG1 4Å; F196-I206 HydrophobicContact CE1-CD1 3.88Å; F196-I206 HydrophobicContact CE1-CG1 3.58Å; F196-I206 HydrophobicContact CE2-CG1 4.18Å; F196-I206 HydrophobicContact CG-CG1 4.49Å; F196-I206 HydrophobicContact CZ-CD1 3.85Å; F196-I206 HydrophobicContact CZ-CG1 3.69Å; A203-I206 PolarHBondContact O-N 3.39Å; H204-I206 VanDerWaalsContact C-N 3.31Å; I206-M208 WeakPolarHBondContact CG2-O 3.47Å; I206-V347 HydrophobicContact CB-CG1 3.91Å; I206-V347 HydrophobicContact CB-CG2 4.25Å; I206-V347 HydrophobicContact CG2-CG1 3.58Å
207	K	97.9	Very high	97.3	Very high	59 Å²	59	31.5 Å²	31.5	26%	0.257	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-50.3	173.6	-72.5	-170.9	155.5	-131.6	0	111.3	K179 I180 Y181 E410	K179-K207 HydrophobicContact CB-CD 4.41Å; K179-K207 HydrophobicContact CB-CG 3.5Å; K179-K207 HydrophobicContact CD-CG 4.18Å; K179-K207 HydrophobicContact CG-CG 4.49Å; I180-K207 PolarHBondContact O-N 3.07Å; Y181-K207 HydrophobicContact CD1-CB 3.75Å; Y181-K207 HydrophobicContact CD1-CD 4.41Å; Y181-K207 HydrophobicContact CD2-CD 4.34Å; Y181-K207 HydrophobicContact CE1-CB 3.64Å; Y181-K207 HydrophobicContact CE1-CD 3.88Å; Y181-K207 HydrophobicContact CE1-CG 4.42Å; Y181-K207 HydrophobicContact CE2-CD 3.78Å; Y181-K207 HydrophobicContact CG-CB 4.42Å; K207-E410 IonicContact NZ-OE2 2.76Å; K207-E410 PolarHBondContact NZ-OE2 2.89Å
208	M	98.6	Very high	96.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	145.5	-178.6	-169.1	177.2	-67.9	0	0	108.6	Y181 Y182 I206 F210 P348 I376 L406 E410	Y181-M208 HydrophobicContact CD1-CB 3.88Å; Y181-M208 HydrophobicContact CE1-CB 4.15Å; Y182-M208 PolarHBondContact N-O 2.65Å; I206-M208 WeakPolarHBondContact CG2-O 3.47Å; M208-F210 HydrophobicContact CB-CE2 4.02Å; M208-F210 HydrophobicContact CB-CZ 4.16Å; M208-F210 HydrophobicContact CG-CE1 4.26Å; M208-F210 HydrophobicContact CG-CE2 4.07Å; M208-F210 HydrophobicContact CG-CZ 3.86Å; M208-F210 HydrophobicContact SD-CE1 3.55Å; M208-F210 VanDerWaalsContact SD-CE1 3.55Å; M208-F210 HydrophobicContact SD-CE2 4.1Å; M208-F210 HydrophobicContact SD-CZ 3.29Å; M208-F210 WeakPolarHBondContact SD-CZ 3.3Å; M208-P348 WeakPolarHBondContact CA-O 3.18Å; M208-P348 HydrophobicContact CG-CB 4.45Å; M208-P348 WeakPolarHBondContact CG-O 3.31Å; M208-I376 HydrophobicContact CE-CD1 3.34Å; M208-I376 HydrophobicContact CG-CD1 3.96Å; M208-I376 HydrophobicContact SD-CD1 3.55Å; M208-I376 VanDerWaalsContact SD-CD1 3.55Å; M208-L406 HydrophobicContact SD-CB 4.21Å; M208-E410 HydrophobicContact CE-CB 4.42Å; M208-E410 HydrophobicContact CE-CG 4.4Å
209	Y	98.8	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.3	178.2	176	-162.4	0	0	0	109.9	Y182 T189 F193 F196 A211 M345 P348 T349 A350	Y182-Y209 AromaticContact CD1-CD2 3.42Å; Y182-Y209 HydrophobicContact CD1-CD2 3.42Å; Y182-Y209 VanDerWaalsContact CD1-CD2 3.42Å; Y182-Y209 AromaticContact CD1-CE2 3.51Å; Y182-Y209 HydrophobicContact CD1-CE2 3.51Å; Y182-Y209 HydrophobicContact CD1-CG 4.27Å; Y182-Y209 HydrophobicContact CE1-CD2 4.03Å; Y182-Y209 AromaticContact CE1-CE2 3.61Å; Y182-Y209 HydrophobicContact CE1-CE2 3.61Å; Y182-Y209 HydrophobicContact CG-CD2 4.49Å; Y182-Y209 CarbonylContact O-C 3.57Å; Y182-Y209 WeakPolarHBondContact O-CA 3.25Å; T189-Y209 WeakPolarHBondContact CA-OH 3.38Å; T189-Y209 WeakPolarHBondContact CB-OH 3.46Å; T189-Y209 PolarHBondContact O-OH 2.98Å; F193-Y209 AromaticContact CD1-CE1 3.81Å; F193-Y209 HydrophobicContact CD1-CE1 3.81Å; F193-Y209 AromaticContact CE1-CE1 3.69Å; F193-Y209 HydrophobicContact CE1-CE1 3.69Å; F193-Y209 HydrophobicContact CG-CE1 4.38Å; F193-Y209 HydrophobicContact CZ-CE1 4.18Å; F196-Y209 HydrophobicContact CD2-CD1 4.01Å; F196-Y209 HydrophobicContact CD2-CE1 4.37Å; F196-Y209 HydrophobicContact CD2-CG 4.39Å; F196-Y209 HydrophobicContact CE2-CD1 4.25Å; F196-Y209 HydrophobicContact CE2-CG 4.24Å; Y209-A211 HydrophobicContact CD2-CB 4.44Å; Y209-A211 HydrophobicContact CE1-CB 4.46Å; Y209-A211 HydrophobicContact CE2-CB 3.8Å; Y209-M345 HydrophobicContact CD1-CE 4.26Å; Y209-M345 HydrophobicContact CD1-SD 3.69Å; Y209-M345 HydrophobicContact CE1-SD 3.91Å; Y209-P348 PolarHBondContact N-O 3.37Å; Y209-T349 HydrophobicContact CD1-CG2 3.96Å; Y209-T349 HydrophobicContact CE1-CG2 4.49Å; Y209-T349 HydrophobicContact CG-CG2 4.29Å; Y209-T349 CarbonylContact O-C 3.55Å; Y209-T349 VanDerWaalsContact O-CA 3.29Å; Y209-T349 WeakPolarHBondContact O-CA 3.33Å; Y209-A350 PolarHBondContact O-N 3.31Å
210	F	98.9	Very high	96.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.1	172.9	-54.9	-87.6	0	0	0	109.4	Y181 Y182 V183 G184 M208 A350 W352 I403 L406 M407	Y181-F210 AromaticContact CD1-CE2 3.82Å; Y181-F210 HydrophobicContact CD1-CE2 3.82Å; Y181-F210 HydrophobicContact CD1-CZ 4.39Å; Y181-F210 HydrophobicContact CG-CE2 4.29Å; Y182-F210 PolarHBondContact O-N 3.44Å; V183-F210 CarbonylContact C-O 3.59Å; V183-F210 VanDerWaalsContact CA-O 3.32Å; V183-F210 WeakPolarHBondContact CA-O 3.21Å; V183-F210 HydrophobicContact CB-CB 4.32Å; V183-F210 HydrophobicContact CG1-CB 4.12Å; V183-F210 HydrophobicContact CG2-CB 4.03Å; V183-F210 HydrophobicContact CG2-CD2 3.94Å; V183-F210 HydrophobicContact CG2-CG 4.3Å; G184-F210 PolarHBondContact N-O 3Å; M208-F210 HydrophobicContact CB-CE2 4.02Å; M208-F210 HydrophobicContact CB-CZ 4.16Å; M208-F210 HydrophobicContact CG-CE1 4.26Å; M208-F210 HydrophobicContact CG-CE2 4.07Å; M208-F210 HydrophobicContact CG-CZ 3.86Å; M208-F210 HydrophobicContact SD-CE1 3.55Å; M208-F210 VanDerWaalsContact SD-CE1 3.55Å; M208-F210 HydrophobicContact SD-CE2 4.1Å; M208-F210 HydrophobicContact SD-CZ 3.29Å; M208-F210 WeakPolarHBondContact SD-CZ 3.3Å; F210-A350 CarbonylContact C-O 3.58Å; F210-A350 WeakPolarHBondContact CA-O 3.5Å; F210-A350 HydrophobicContact CD1-CB 3.94Å; F210-A350 HydrophobicContact CE1-CB 4.3Å; F210-W352 HydrophobicContact CB-CZ3 4.19Å; F210-W352 AromaticContact CD1-CH2 3.74Å; F210-W352 HydrophobicContact CD1-CH2 3.74Å; F210-W352 AromaticContact CD1-CZ3 3.73Å; F210-W352 HydrophobicContact CD1-CZ3 3.73Å; F210-W352 HydrophobicContact CE1-CH2 4.34Å; F210-W352 HydrophobicContact CG-CZ3 4.47Å; F210-I403 HydrophobicContact CD1-CB 4.33Å; F210-I403 HydrophobicContact CD1-CG1 4.05Å; F210-I403 HydrophobicContact CD1-CG2 3.93Å; F210-I403 HydrophobicContact CD2-CG2 4.33Å; F210-I403 HydrophobicContact CE1-CB 4.47Å; F210-I403 HydrophobicContact CE1-CG2 4.02Å; F210-I403 HydrophobicContact CE2-CG2 4.41Å; F210-I403 HydrophobicContact CG-CG2 4.1Å; F210-I403 HydrophobicContact CZ-CG2 4.26Å; F210-L406 HydrophobicContact CE1-CB 3.87Å; F210-L406 HydrophobicContact CE1-CD1 4.13Å; F210-L406 HydrophobicContact CZ-CB 4.32Å; F210-M407 HydrophobicContact CD2-CE 3.79Å; F210-M407 HydrophobicContact CE1-CG 4.49Å; F210-M407 HydrophobicContact CE2-CE 3.38Å; F210-M407 HydrophobicContact CE2-CG 3.71Å; F210-M407 HydrophobicContact CE2-SD 4.41Å; F210-M407 HydrophobicContact CZ-CE 3.98Å; F210-M407 HydrophobicContact CZ-CG 3.46Å; F210-M407 VanDerWaalsContact CZ-CG 3.46Å
211	A	98.8	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.8	-178.4	0	0	0	0	0	110.6	T189 F193 Y209 P214 A350 M351 W352	T189-A211 HydrophobicContact CG2-CB 3.86Å; F193-A211 HydrophobicContact CZ-CB 4.29Å; Y209-A211 HydrophobicContact CD2-CB 4.44Å; Y209-A211 HydrophobicContact CE1-CB 4.46Å; Y209-A211 HydrophobicContact CE2-CB 3.8Å; A211-P214 HydrophobicContact CB-CB 4.01Å; A211-A350 PolarHBondContact N-O 2.88Å; A211-M351 HydrophobicContact CB-CG 4.17Å; A211-M351 WeakPolarHBondContact O-CA 3.38Å; A211-W352 PolarHBondContact O-N 3.19Å
212	L	98.9	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.6	-179.1	-51.2	-176.2	0	0	0	109.6	W107 L116 V183 G184 Y185 S186 W352 F389 V399 I403	W107-L212 HydrophobicContact CH2-CD1 4.25Å; W107-L212 HydrophobicContact CZ3-CD1 4.09Å; L116-L212 HydrophobicContact CD2-CD1 4.49Å; V183-L212 HydrophobicContact CG1-CD1 3.85Å; V183-L212 HydrophobicContact CG1-CG 4.14Å; G184-L212 PolarHBondContact O-N 3.04Å; Y185-L212 WeakPolarHBondContact CA-O 3.23Å; Y185-L212 HydrophobicContact CD2-CB 4.32Å; S186-L212 PolarHBondContact N-O 3.18Å; S186-L212 VanDerWaalsContact N-O 3.07Å; L212-W352 HydrophobicContact CD2-CB 4.16Å; L212-W352 HydrophobicContact CD2-CD2 4.12Å; L212-W352 HydrophobicContact CD2-CE3 3.64Å; L212-W352 HydrophobicContact CD2-CG 4.38Å; L212-W352 HydrophobicContact CD2-CZ3 4.39Å; L212-F389 HydrophobicContact CB-CB 4.05Å; L212-F389 HydrophobicContact CB-CD1 3.89Å; L212-F389 HydrophobicContact CB-CG 4.15Å; L212-F389 HydrophobicContact CD2-CD1 4.41Å; L212-V399 HydrophobicContact CD2-CG1 3.86Å; L212-I403 HydrophobicContact CD1-CD1 4.36Å; L212-I403 HydrophobicContact CD2-CD1 4.11Å
213	A	98.1	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	47.2	60.4	-169.1	0	0	0	0	0	112.1	Y185 S186 I215 W352 D357 H386 F389	Y185-A213 HydrophobicContact CD2-CB 4.17Å; Y185-A213 HydrophobicContact CE2-CB 3.89Å; S186-A213 WeakPolarHBondContact CA-O 3.06Å; A213-I215 PolarHBondContact O-N 3.46Å; A213-W352 PolarHBondContact N-O 3.18Å; A213-D357 WeakPolarHBondContact CB-OD2 3.5Å; A213-H386 WeakPolarHBondContact CB-ND1 3.38Å; A213-F389 HydrophobicContact CB-CD2 3.65Å; A213-F389 HydrophobicContact CB-CE2 3.75Å; A213-F389 HydrophobicContact CB-CG 4.27Å; A213-F389 HydrophobicContact CB-CZ 4.47Å
214	P	98.2	Very high	93	Very high	2 Å²	2	36 Å²	36	1%	0.013	16%	0.164	C	C	.	.			trans	-66	133	-169.3	27.6	-35	0	0	0	112.7	T189 F193 A211 M351 W352 T353 S360 L368	T189-P214 HydrophobicContact CG2-CB 4.5Å; T189-P214 WeakPolarHBondContact OG1-CA 3.41Å; F193-P214 HydrophobicContact CE2-CB 3.97Å; F193-P214 HydrophobicContact CZ-CB 4.06Å; A211-P214 HydrophobicContact CB-CB 4.01Å; P214-M351 HydrophobicContact CB-CE 3.81Å; P214-M351 HydrophobicContact CG-CE 3.38Å; P214-W352 VanDerWaalsContact CD-O 3.29Å; P214-W352 WeakPolarHBondContact CD-O 3.49Å; P214-T353 HydrophobicContact CG-CG2 3.74Å; P214-S360 WeakPolarHBondContact O-CB 3.39Å; P214-S360 PolarHBondContact O-OG 2.86Å; P214-L368 HydrophobicContact CB-CD2 3.83Å; P214-L368 HydrophobicContact CG-CD2 4.31Å
215	I	96	Very high	91.9	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	15%	0.151	C	C	.	.			trans	-122.7	119.8	178.6	-57.9	178.5	0	0	0	109.3	T189 T190 A213 V218 W308 L359	T189-I215 PolarHBondContact OG1-N 3.48Å; T190-I215 WeakPolarHBondContact CA-O 3.25Å; T190-I215 WeakPolarHBondContact CB-O 3.35Å; T190-I215 PolarHBondContact OG1-O 3.43Å; A213-I215 PolarHBondContact O-N 3.46Å; I215-V218 HydrophobicContact CG2-CG1 3.45Å; I215-V218 VanDerWaalsContact CG2-CG1 3.45Å; I215-W308 HydrophobicContact CB-CH2 4.31Å; I215-W308 HydrophobicContact CG2-CH2 3.49Å; I215-W308 VanDerWaalsContact CG2-CH2 3.49Å; I215-W308 HydrophobicContact CG2-CZ3 3.6Å; I215-L359 HydrophobicContact CD1-CB 4.23Å
216	A	90.4	Very high	91	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.033	14%	0.142	C	C	.	.	S	Bend	trans	-117.9	-44.5	165.3	0	0	0	0	0	110	L317 V342 L368	A216-L317 HydrophobicContact CB-CD2 4.11Å; A216-L317 VanDerWaalsContact O-CB 3.31Å; A216-L317 WeakPolarHBondContact O-CB 3.41Å; A216-L317 WeakPolarHBondContact O-CD1 3.35Å; A216-V342 HydrophobicContact CB-CG2 4.27Å; A216-L368 HydrophobicContact CB-CD1 3.56Å; A216-L368 HydrophobicContact CB-CD2 3.98Å; A216-L368 HydrophobicContact CB-CG 4.24Å
217	T	85.1	Confident	90.2	Very high	20 Å²	20	36.4 Å²	36.4	12%	0.123	17%	0.173	C	C	.	.			trans	-120.7	157.4	170.7	60	0	0	0	0	109.7	G315 D364	T217-G315 WeakPolarHBondContact CG2-O 3.47Å; T217-D364 WeakPolarHBondContact CB-OD1 3.25Å; T217-D364 PolarHBondContact OG1-OD1 3.12Å
218	V	89.1	Confident	89.6	Confident	6 Å²	6	36 Å²	36	4%	0.036	17%	0.172	C	C	.	.			trans	-129.9	31.7	177.5	-71.8	0	0	0	0	110.6	I215 Y220 A221 W308 A311 V312	I215-V218 HydrophobicContact CG2-CG1 3.45Å; I215-V218 VanDerWaalsContact CG2-CG1 3.45Å; V218-Y220 VanDerWaalsContact C-N 3.34Å; V218-Y220 PolarHBondContact O-N 2.92Å; V218-A221 HydrophobicContact CB-CB 4.03Å; V218-A221 WeakPolarHBondContact O-CB 3.4Å; V218-A221 PolarHBondContact O-N 2.79Å; V218-W308 HydrophobicContact CG1-CE3 4.06Å; V218-W308 HydrophobicContact CG1-CZ3 3.73Å; V218-W308 HydrophobicContact CG2-CE3 3.87Å; V218-W308 HydrophobicContact CG2-CZ3 4.12Å; V218-A311 HydrophobicContact CG2-CB 3.94Å; V218-V312 HydrophobicContact CB-CG2 4.19Å; V218-V312 HydrophobicContact CG2-CB 4.33Å; V218-V312 HydrophobicContact CG2-CG2 3.45Å; V218-V312 VanDerWaalsContact CG2-CG2 3.45Å
219	K	90.6	Very high	89	Confident	115 Å²	115	36.9 Å²	36.9	50%	0.5	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-37	-173.2	-174	177.8	-175.3	166.7	0	111.8	D364	K219-D364 PolarHBondContact N-OD1 3.25Å; K219-D364 PolarHBondContact N-OD2 3.29Å
220	Y	91.5	Very high	88.5	Confident	110 Å²	110	41.5 Å²	41.5	43%	0.431	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	7.7	-176.7	-59.2	-77.7	0	0	0	112.3	V218 R222 N361 D363 D364	V218-Y220 VanDerWaalsContact C-N 3.34Å; V218-Y220 PolarHBondContact O-N 2.92Å; Y220-R222 VanDerWaalsContact O-CG 3.25Å; Y220-R222 WeakPolarHBondContact O-CG 3.33Å; Y220-R222 PolarHBondContact O-N 2.85Å; Y220-N361 PolarHBondContact O-ND2 2.92Å; Y220-D363 HydrophobicContact CD1-CB 4.35Å; Y220-D363 HydrophobicContact CD2-CB 3.73Å; Y220-D363 HydrophobicContact CE2-CB 4.36Å; Y220-D363 HydrophobicContact CG-CB 3.71Å; Y220-D364 WeakPolarHBondContact CA-OD2 3.43Å; Y220-D364 WeakPolarHBondContact CB-OD2 3.33Å; Y220-D364 PolarHBondContact N-OD2 3.46Å
221	A	88.3	Confident	88	Confident	13 Å²	13	44 Å²	44	11%	0.107	21%	0.213	C	C	.	.			trans	-62	132.5	179.2	0	0	0	0	0	111.6	V218 T226 W358	V218-A221 HydrophobicContact CB-CB 4.03Å; V218-A221 WeakPolarHBondContact O-CB 3.4Å; V218-A221 PolarHBondContact O-N 2.79Å; A221-T226 HydrophobicContact CB-CG2 3.4Å; A221-T226 PolarHBondContact O-OG1 3.33Å; A221-W358 CarbonylContact C-O 3.59Å; A221-W358 WeakPolarHBondContact CA-O 3.45Å; A221-W358 WeakPolarHBondContact CB-O 3.35Å
222	R	82.8	Confident	87.6	Confident	163 Å²	163	47.7 Å²	47.7	62%	0.615	24%	0.237	S	C	*	.			trans	-109.5	-1.7	-165.9	-57.6	-171.9	-177.3	175.5	1.3	114.6	Y220 W358 D363	Y220-R222 VanDerWaalsContact O-CG 3.25Å; Y220-R222 WeakPolarHBondContact O-CG 3.33Å; Y220-R222 PolarHBondContact O-N 2.85Å; R222-W358 PolarHBondContact N-O 2.86Å; R222-D363 IonicContact NH2-OD2 3.76Å
223	S	79.2	Confident	87.2	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.014	25%	0.25	C	S	.	.	S	Bend	trans	-65.7	149.2	-174.2	74.3	0	0	0	0	111.5	G225 T226 K227 L276 L359	S223-G225 PolarHBondContact O-N 2.72Å; S223-G225 VanDerWaalsContact O-N 3.09Å; S223-T226 PolarHBondContact N-OG1 2.91Å; S223-T226 PolarHBondContact O-N 2.88Å; S223-T226 PolarHBondContact O-OG1 3.22Å; S223-T226 VanDerWaalsContact OG-CG2 3.31Å; S223-T226 WeakPolarHBondContact OG-CG2 3.3Å; S223-T226 PolarHBondContact OG-N 3.18Å; S223-K227 PolarHBondContact O-N 3.16Å; S223-L276 VanDerWaalsContact CB-O 3.22Å; S223-L276 WeakPolarHBondContact CB-O 3.47Å; S223-L276 PolarHBondContact OG-O 2.93Å; S223-L359 WeakPolarHBondContact OG-CD2 3.28Å
224	P	76.4	Confident	86.8	Confident	66 Å²	66	57.8 Å²	57.8	43%	0.429	29%	0.288	S	S	.	.	H	α-helix	trans	-48.9	-33.7	168.6	-30.3	34.1	0	0	0	113.4	T226 K227 F228 L275	P224-T226 VanDerWaalsContact C-N 3.33Å; P224-T226 PolarHBondContact O-N 2.83Å; P224-K227 PolarHBondContact O-N 2.6Å; P224-F228 PolarHBondContact O-N 3.41Å; P224-L275 WeakPolarHBondContact CD-O 3.31Å; P224-L275 HydrophobicContact CG-CD2 4.09Å
225	G	74.8	Confident	86.4	Confident	28 Å²	28	62.4 Å²	62.4	29%	0.289	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-36.7	172.7	0	0	0	0	0	113.5	S223 K227 F228 L229	S223-G225 PolarHBondContact O-N 2.72Å; S223-G225 VanDerWaalsContact O-N 3.09Å; G225-K227 VanDerWaalsContact C-N 3.32Å; G225-K227 PolarHBondContact O-N 2.84Å; G225-F228 WeakPolarHBondContact O-CB 3.4Å; G225-F228 PolarHBondContact O-N 2.72Å; G225-L229 WeakPolarHBondContact O-CG 3.23Å; G225-L229 PolarHBondContact O-N 2.81Å; G225-L229 VanDerWaalsContact O-N 3.14Å
226	T	79.6	Confident	86	Confident	10 Å²	10	62.1 Å²	62.1	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-69.9	-29.7	178.8	67.3	0	0	0	0	112.3	A221 S223 P224 F228 L229 L230 L359	A221-T226 HydrophobicContact CB-CG2 3.4Å; A221-T226 PolarHBondContact O-OG1 3.33Å; S223-T226 PolarHBondContact N-OG1 2.91Å; S223-T226 PolarHBondContact O-N 2.88Å; S223-T226 PolarHBondContact O-OG1 3.22Å; S223-T226 VanDerWaalsContact OG-CG2 3.31Å; S223-T226 WeakPolarHBondContact OG-CG2 3.3Å; S223-T226 PolarHBondContact OG-N 3.18Å; P224-T226 VanDerWaalsContact C-N 3.33Å; P224-T226 PolarHBondContact O-N 2.83Å; T226-F228 VanDerWaalsContact C-N 3.33Å; T226-F228 PolarHBondContact O-N 2.63Å; T226-L229 WeakPolarHBondContact O-CB 3.35Å; T226-L229 PolarHBondContact O-N 2.98Å; T226-L230 PolarHBondContact O-N 2.72Å; T226-L359 HydrophobicContact CG2-CD2 3.85Å
227	K	82.2	Confident	86	Confident	156 Å²	156	66.1 Å²	66.1	68%	0.678	33%	0.326	S	S	*	.	H	α-helix	trans	-64.8	-37.5	170.9	-65.4	-174	-179.6	-179.8	0	112.3	S223 P224 G225 L229 L230	S223-K227 PolarHBondContact O-N 3.16Å; P224-K227 PolarHBondContact O-N 2.6Å; G225-K227 VanDerWaalsContact C-N 3.32Å; G225-K227 PolarHBondContact O-N 2.84Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L230 WeakPolarHBondContact O-CB 3.47Å; K227-L230 PolarHBondContact O-N 2.74Å
228	F	84.4	Confident	86.2	Confident	52 Å²	52	68.4 Å²	68.4	23%	0.228	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-37.1	173.2	165	-93.6	0	0	0	111.6	P224 G225 T226 L230 L231 I236 F240 F245 I305	P224-F228 PolarHBondContact O-N 3.41Å; G225-F228 WeakPolarHBondContact O-CB 3.4Å; G225-F228 PolarHBondContact O-N 2.72Å; T226-F228 VanDerWaalsContact C-N 3.33Å; T226-F228 PolarHBondContact O-N 2.63Å; F228-L230 PolarHBondContact O-N 3.39Å; F228-L231 HydrophobicContact CD2-CD1 3.68Å; F228-L231 HydrophobicContact CE2-CD1 3.81Å; F228-L231 WeakPolarHBondContact O-CB 3.38Å; F228-L231 VanDerWaalsContact O-CG 3.29Å; F228-L231 WeakPolarHBondContact O-CG 3.45Å; F228-L231 PolarHBondContact O-N 3.42Å; F228-L231 VanDerWaalsContact O-N 3.13Å; F228-I236 HydrophobicContact CZ-CG1 4.1Å; F228-I236 HydrophobicContact CZ-CG2 4.29Å; F228-F240 HydrophobicContact CE1-CE2 4.46Å; F228-F240 AromaticContact CE2-CE2 3.56Å; F228-F240 HydrophobicContact CE2-CE2 3.56Å; F228-F240 HydrophobicContact CE2-CZ 4.12Å; F228-F240 HydrophobicContact CZ-CD2 4.02Å; F228-F240 AromaticContact CZ-CE2 3.3Å; F228-F240 HydrophobicContact CZ-CE2 3.3Å; F228-F240 HydrophobicContact CZ-CZ 4.01Å; F228-F245 HydrophobicContact CE1-CE2 4.2Å; F228-F245 HydrophobicContact CE1-CZ 4.24Å; F228-F245 HydrophobicContact CZ-CE2 4.24Å; F228-I305 HydrophobicContact CE1-CG2 4.03Å
229	L	87.1	Confident	86.1	Confident	21 Å²	21	73.7 Å²	73.7	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-66.2	-13.9	176.3	-65.4	179.4	0	0	0	114.1	G225 T226 K227 L231 I305 W308 S309 V312	G225-L229 WeakPolarHBondContact O-CG 3.23Å; G225-L229 PolarHBondContact O-N 2.81Å; G225-L229 VanDerWaalsContact O-N 3.14Å; T226-L229 WeakPolarHBondContact O-CB 3.35Å; T226-L229 PolarHBondContact O-N 2.98Å; K227-L229 VanDerWaalsContact C-N 3.29Å; L229-L231 VanDerWaalsContact C-N 3.27Å; L229-I305 HydrophobicContact CD2-CG2 3.71Å; L229-W308 HydrophobicContact CD1-CB 3.94Å; L229-W308 HydrophobicContact CD2-CB 4.33Å; L229-S309 WeakPolarHBondContact O-CA 3.45Å; L229-S309 WeakPolarHBondContact O-CB 3.44Å; L229-S309 PolarHBondContact O-OG 3.39Å; L229-V312 HydrophobicContact CB-CG2 4.1Å; L229-V312 HydrophobicContact CD1-CG2 3.89Å
230	L	88.1	Confident	85.9	Confident	97 Å²	97	71.1 Å²	71.1	51%	0.508	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.3	174	-65.6	172.1	0	0	0	113.2	T226 K227 F228 V312	T226-L230 PolarHBondContact O-N 2.72Å; K227-L230 WeakPolarHBondContact O-CB 3.47Å; K227-L230 PolarHBondContact O-N 2.74Å; F228-L230 PolarHBondContact O-N 3.39Å; L230-V312 HydrophobicContact CD2-CG1 3.49Å; L230-V312 VanDerWaalsContact CD2-CG1 3.49Å; L230-V312 HydrophobicContact CG-CG1 4.2Å
231	L	87.6	Confident	86	Confident	52 Å²	52	67.4 Å²	67.4	27%	0.272	37%	0.366	S	S	.	.	S	Bend	trans	-67.3	145	175.9	-67.4	177.1	0	0	0	110.9	F228 L229 M235 I236	F228-L231 HydrophobicContact CD2-CD1 3.68Å; F228-L231 HydrophobicContact CE2-CD1 3.81Å; F228-L231 WeakPolarHBondContact O-CB 3.38Å; F228-L231 VanDerWaalsContact O-CG 3.29Å; F228-L231 WeakPolarHBondContact O-CG 3.45Å; F228-L231 PolarHBondContact O-N 3.42Å; F228-L231 VanDerWaalsContact O-N 3.13Å; L229-L231 VanDerWaalsContact C-N 3.27Å; L231-M235 HydrophobicContact CD2-CE 4.07Å; L231-M235 HydrophobicContact CD2-SD 4.46Å; L231-I236 HydrophobicContact CB-CD1 4.31Å; L231-I236 HydrophobicContact CB-CG1 3.99Å
232	P	90.6	Very high	86.2	Confident	78 Å²	78	74.9 Å²	74.9	51%	0.506	39%	0.391	S	S	.	.			trans	-55.3	141.2	173.4	-24.3	32.5	0	0	0	112.3	M234 M235 I236	P232-M234 PolarHBondContact O-N 2.75Å; P232-M235 HydrophobicContact CB-CG 4.46Å; P232-M235 HydrophobicContact CG-CG 4.49Å; P232-M235 HydrophobicContact CG-SD 4.08Å; P232-M235 WeakPolarHBondContact O-CA 3.44Å; P232-M235 WeakPolarHBondContact O-CB 3.13Å; P232-M235 PolarHBondContact O-N 3.01Å; P232-I236 PolarHBondContact O-N 3.31Å
233	D	90.9	Very high	86.7	Confident	51 Å²	51	70.4 Å²	70.4	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-49.8	-37	179.7	-74.9	16.6	0	0	0	113.5	M235 I236 K237 L306	D233-M235 VanDerWaalsContact C-N 3.33Å; D233-M235 PolarHBondContact O-N 3.11Å; D233-I236 PolarHBondContact O-N 2.81Å; D233-K237 WeakPolarHBondContact O-CB 3.34Å; D233-K237 VanDerWaalsContact O-CG 3.28Å; D233-K237 WeakPolarHBondContact O-CG 3.45Å; D233-K237 PolarHBondContact O-N 3.04Å; D233-L306 HydrophobicContact CB-CD2 3.92Å
234	M	89.3	Confident	87.4	Confident	161 Å²	161	71.2 Å²	71.2	79%	0.793	38%	0.38	S	S	*	.	H	α-helix	trans	-64.3	-36.6	177.9	-171.9	-177.5	-68.3	0	0	112.3	P232 G238	P232-M234 PolarHBondContact O-N 2.75Å; M234-G238 PolarHBondContact O-N 3.33Å
235	M	89.8	Confident	88	Confident	100 Å²	100	68.9 Å²	68.9	49%	0.493	36%	0.364	S	S	.	.	H	α-helix	trans	-70.9	-44.1	177	-69.3	-178	62.4	0	0	111.1	L231 P232 D233 K237 G238 L239	L231-M235 HydrophobicContact CD2-CE 4.07Å; L231-M235 HydrophobicContact CD2-SD 4.46Å; P232-M235 HydrophobicContact CB-CG 4.46Å; P232-M235 HydrophobicContact CG-CG 4.49Å; P232-M235 HydrophobicContact CG-SD 4.08Å; P232-M235 WeakPolarHBondContact O-CA 3.44Å; P232-M235 WeakPolarHBondContact O-CB 3.13Å; P232-M235 PolarHBondContact O-N 3.01Å; D233-M235 VanDerWaalsContact C-N 3.33Å; D233-M235 PolarHBondContact O-N 3.11Å; M235-K237 VanDerWaalsContact C-N 3.35Å; M235-K237 PolarHBondContact O-N 3.26Å; M235-G238 PolarHBondContact O-N 3.4Å; M235-G238 VanDerWaalsContact O-N 3.16Å; M235-L239 WeakPolarHBondContact O-CG 3.35Å; M235-L239 PolarHBondContact O-N 3.15Å
236	I	88.9	Confident	88.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-47.2	176.4	-62.7	175.1	0	0	0	109.9	F228 L231 P232 D233 G238 L239 F240 V302 L306	F228-I236 HydrophobicContact CZ-CG1 4.1Å; F228-I236 HydrophobicContact CZ-CG2 4.29Å; L231-I236 HydrophobicContact CB-CD1 4.31Å; L231-I236 HydrophobicContact CB-CG1 3.99Å; P232-I236 PolarHBondContact O-N 3.31Å; D233-I236 PolarHBondContact O-N 2.81Å; I236-G238 VanDerWaalsContact C-N 3.32Å; I236-G238 PolarHBondContact O-N 3.36Å; I236-L239 PolarHBondContact O-N 3.44Å; I236-F240 HydrophobicContact CG2-CD2 4.24Å; I236-F240 WeakPolarHBondContact O-CD2 3.45Å; I236-F240 PolarHBondContact O-N 2.87Å; I236-V302 HydrophobicContact CG2-CG1 4.3Å; I236-L306 HydrophobicContact CB-CD2 3.88Å; I236-L306 HydrophobicContact CD1-CD2 4.15Å; I236-L306 HydrophobicContact CG2-CD2 3.82Å; I236-L306 HydrophobicContact CG2-CG 4.38Å
237	K	89.6	Confident	88.1	Confident	87 Å²	87	78.6 Å²	78.6	38%	0.378	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-36.3	174.9	-71.4	173.6	-173.8	172.8	0	112.8	D233 M235 L239 G241 L306	D233-K237 WeakPolarHBondContact O-CB 3.34Å; D233-K237 VanDerWaalsContact O-CG 3.28Å; D233-K237 WeakPolarHBondContact O-CG 3.45Å; D233-K237 PolarHBondContact O-N 3.04Å; M235-K237 VanDerWaalsContact C-N 3.35Å; M235-K237 PolarHBondContact O-N 3.26Å; K237-L239 VanDerWaalsContact C-N 3.34Å; K237-G241 WeakPolarHBondContact O-CA 3.22Å; K237-G241 PolarHBondContact O-N 3.35Å; K237-L306 HydrophobicContact CD-CD1 4.21Å; K237-L306 HydrophobicContact CG-CD1 3.93Å
238	G	89.2	Confident	87.3	Confident	68 Å²	68	74.3 Å²	74.3	70%	0.701	38%	0.379	S	S	*	.	H	α-helix	trans	-66.6	-33.8	177.1	0	0	0	0	0	113.4	M234 M235 I236	M234-G238 PolarHBondContact O-N 3.33Å; M235-G238 PolarHBondContact O-N 3.4Å; M235-G238 VanDerWaalsContact O-N 3.16Å; I236-G238 VanDerWaalsContact C-N 3.32Å; I236-G238 PolarHBondContact O-N 3.36Å
239	L	86.6	Confident	86.6	Confident	117 Å²	117	74.1 Å²	74.1	61%	0.613	38%	0.383	S	S	*	.	H	α-helix	trans	-82.2	-40.4	179.7	-70	171.3	0	0	0	113.1	M235 I236 K237	M235-L239 WeakPolarHBondContact O-CG 3.35Å; M235-L239 PolarHBondContact O-N 3.15Å; I236-L239 PolarHBondContact O-N 3.44Å; K237-L239 VanDerWaalsContact C-N 3.34Å
240	F	87.9	Confident	85.8	Confident	61 Å²	61	84.1 Å²	84.1	27%	0.268	42%	0.419	S	S	.	.	H	α-helix	trans	-115.2	-3.9	-169.6	-58.4	-78	0	0	0	114.2	F228 I236 F245 L246 V302	F228-F240 HydrophobicContact CE1-CE2 4.46Å; F228-F240 AromaticContact CE2-CE2 3.56Å; F228-F240 HydrophobicContact CE2-CE2 3.56Å; F228-F240 HydrophobicContact CE2-CZ 4.12Å; F228-F240 HydrophobicContact CZ-CD2 4.02Å; F228-F240 AromaticContact CZ-CE2 3.3Å; F228-F240 HydrophobicContact CZ-CE2 3.3Å; F228-F240 HydrophobicContact CZ-CZ 4.01Å; I236-F240 HydrophobicContact CG2-CD2 4.24Å; I236-F240 WeakPolarHBondContact O-CD2 3.45Å; I236-F240 PolarHBondContact O-N 2.87Å; F240-F245 HydrophobicContact CB-CD2 4.17Å; F240-F245 AromaticContact CD1-CD2 3.83Å; F240-F245 HydrophobicContact CD1-CD2 3.83Å; F240-F245 AromaticContact CD1-CE2 3.76Å; F240-F245 HydrophobicContact CD1-CE2 3.76Å; F240-F245 HydrophobicContact CD2-CD2 4.18Å; F240-F245 AromaticContact CD2-CE2 3.83Å; F240-F245 HydrophobicContact CD2-CE2 3.83Å; F240-F245 HydrophobicContact CE1-CD2 4.3Å; F240-F245 AromaticContact CE1-CE2 3.77Å; F240-F245 HydrophobicContact CE1-CE2 3.77Å; F240-F245 HydrophobicContact CE1-CZ 4.47Å; F240-F245 AromaticContact CE2-CE2 3.89Å; F240-F245 HydrophobicContact CE2-CE2 3.89Å; F240-F245 AromaticContact CG-CD2 3.77Å; F240-F245 HydrophobicContact CG-CD2 3.77Å; F240-F245 AromaticContact CG-CE2 3.79Å; F240-F245 HydrophobicContact CG-CE2 3.79Å; F240-F245 AromaticContact CZ-CE2 3.83Å; F240-F245 HydrophobicContact CZ-CE2 3.83Å; F240-F245 HydrophobicContact CZ-CZ 4.47Å; F240-L246 HydrophobicContact CD1-CD2 4.29Å; F240-L246 HydrophobicContact CE1-CD2 3.63Å; F240-L246 HydrophobicContact CE1-CG 4.41Å; F240-V302 HydrophobicContact CB-CG2 3.68Å
241	G	92	Very high	84.9	Confident	33 Å²	33	86.3 Å²	86.3	34%	0.34	43%	0.425	S	S	.	.			trans	74.8	-144.4	-176.6	0	0	0	0	0	112.7	K237	K237-G241 WeakPolarHBondContact O-CA 3.22Å; K237-G241 PolarHBondContact O-N 3.35Å
242	R	93.1	Very high	84	Confident	170 Å²	170	88.7 Å²	88.7	64%	0.642	43%	0.433	S	S	*	.	S	Bend	trans	-123	-1.7	-177.4	-65.5	178.8	178.2	178.4	0.7	113.9	D149	D149-R242 WeakPolarHBondContact OD2-CD 3.43Å
243	Q	93.9	Very high	83.3	Confident	68 Å²	68	89 Å²	89	32%	0.318	42%	0.424	S	S	.	.	S	Bend	trans	-101	-131.8	-170.4	-61.8	-173.2	-11.1	0	0	110.8	D147 D149 W152 V302	D147-Q243 PolarHBondContact O-NE2 3.32Å; D149-Q243 VanDerWaalsContact OD1-CG 3.31Å; D149-Q243 WeakPolarHBondContact OD1-CG 3.19Å; D149-Q243 PolarHBondContact OD1-NE2 2.93Å; W152-Q243 HydrophobicContact CB-CB 4.47Å; W152-Q243 VanDerWaalsContact CG-C 3.48Å; W152-Q243 VanDerWaalsContact CG-CA 3.44Å; W152-Q243 HydrophobicContact CG-CB 3.95Å; Q243-V302 WeakPolarHBondContact O-CG2 3.26Å; Q243-V302 PolarHBondContact O-N 2.96Å
244	E	93.3	Very high	82.5	Confident	19 Å²	19	91.4 Å²	91.4	9%	0.089	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-66.2	130.4	175.7	-171.8	170.8	-171	0	0	111.7	R139 W152 Y247	R139-E244 IonicContact CZ-OE1 2.76Å; R139-E244 IonicContact CZ-OE2 3.14Å; R139-E244 IonicContact NH1-OE1 2.86Å; R139-E244 PolarHBondContact NH1-OE1 2.92Å; R139-E244 IonicContact NH1-OE2 3.26Å; R139-E244 PolarHBondContact NH1-OE2 3.39Å; R139-E244 IonicContact NH2-OE2 2.71Å; R139-E244 PolarHBondContact NH2-OE2 3Å; W152-E244 HydrophobicContact CD2-CB 4.31Å; W152-E244 HydrophobicContact CE3-CB 4.22Å; W152-E244 HydrophobicContact CH2-CB 3.63Å; W152-E244 HydrophobicContact CH2-CG 3.77Å; W152-E244 HydrophobicContact CZ2-CB 3.74Å; W152-E244 HydrophobicContact CZ2-CG 4.34Å; W152-E244 HydrophobicContact CZ3-CB 3.88Å; W152-E244 HydrophobicContact CZ3-CG 3.99Å; E244-Y247 VanDerWaalsContact OE2-CD2 3.26Å; E244-Y247 WeakPolarHBondContact OE2-CD2 3.46Å
245	F	89.2	Confident	81.8	Confident	18 Å²	18	87 Å²	87	8%	0.079	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	128.4	170.3	178.6	-109.5	0	0	0	110.1	L101 F228 F240 T300 V302 I305	L101-F245 HydrophobicContact CD1-CE1 4.41Å; L101-F245 HydrophobicContact CD2-CD1 4.28Å; F228-F245 HydrophobicContact CE1-CE2 4.2Å; F228-F245 HydrophobicContact CE1-CZ 4.24Å; F228-F245 HydrophobicContact CZ-CE2 4.24Å; F240-F245 HydrophobicContact CB-CD2 4.17Å; F240-F245 AromaticContact CD1-CD2 3.83Å; F240-F245 HydrophobicContact CD1-CD2 3.83Å; F240-F245 AromaticContact CD1-CE2 3.76Å; F240-F245 HydrophobicContact CD1-CE2 3.76Å; F240-F245 HydrophobicContact CD2-CD2 4.18Å; F240-F245 AromaticContact CD2-CE2 3.83Å; F240-F245 HydrophobicContact CD2-CE2 3.83Å; F240-F245 HydrophobicContact CE1-CD2 4.3Å; F240-F245 AromaticContact CE1-CE2 3.77Å; F240-F245 HydrophobicContact CE1-CE2 3.77Å; F240-F245 HydrophobicContact CE1-CZ 4.47Å; F240-F245 AromaticContact CE2-CE2 3.89Å; F240-F245 HydrophobicContact CE2-CE2 3.89Å; F240-F245 AromaticContact CG-CD2 3.77Å; F240-F245 HydrophobicContact CG-CD2 3.77Å; F240-F245 AromaticContact CG-CE2 3.79Å; F240-F245 HydrophobicContact CG-CE2 3.79Å; F240-F245 AromaticContact CZ-CE2 3.83Å; F240-F245 HydrophobicContact CZ-CE2 3.83Å; F240-F245 HydrophobicContact CZ-CZ 4.47Å; F245-T300 HydrophobicContact CB-CG2 3.91Å; F245-T300 HydrophobicContact CD1-CG2 4.24Å; F245-T300 HydrophobicContact CG-CG2 4.5Å; F245-T300 PolarHBondContact N-O 3.24Å; F245-V302 HydrophobicContact CB-CG2 4.08Å; F245-V302 HydrophobicContact CD2-CG2 4.45Å; F245-I305 HydrophobicContact CB-CG1 3.88Å; F245-I305 HydrophobicContact CD1-CD1 3.9Å; F245-I305 HydrophobicContact CD1-CG1 3.7Å; F245-I305 HydrophobicContact CD2-CB 4.49Å; F245-I305 HydrophobicContact CD2-CG1 3.86Å; F245-I305 HydrophobicContact CD2-CG2 4.49Å; F245-I305 HydrophobicContact CE1-CD1 4.1Å; F245-I305 HydrophobicContact CE1-CG1 4.12Å; F245-I305 HydrophobicContact CE2-CG1 4.28Å; F245-I305 HydrophobicContact CE2-CG2 4.3Å; F245-I305 HydrophobicContact CG-CD1 4.27Å; F245-I305 HydrophobicContact CG-CG1 3.54Å; F245-I305 HydrophobicContact CZ-CG1 4.39Å
246	L	80.9	Confident	81.2	Confident	80 Å²	80	87.1 Å²	87.1	42%	0.419	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	54.1	-175.6	-60.7	172.5	0	0	0	112.5	F240 Q248	F240-L246 HydrophobicContact CD1-CD2 4.29Å; F240-L246 HydrophobicContact CE1-CD2 3.63Å; F240-L246 HydrophobicContact CE1-CG 4.41Å; L246-Q248 VanDerWaalsContact O-CG 3.31Å; L246-Q248 WeakPolarHBondContact O-CG 3.42Å; L246-Q248 PolarHBondContact O-N 2.98Å
247	Y	74.9	Confident	80.6	Confident	161 Å²	161	87.1 Å²	87.1	63%	0.631	41%	0.411	S	S	*	.			trans	-45.7	107.6	173.1	179.3	-102.4	0	0	0	111.2	E244 T249	E244-Y247 VanDerWaalsContact OE2-CD2 3.26Å; E244-Y247 WeakPolarHBondContact OE2-CD2 3.46Å; Y247-T249 HydrophobicContact CD1-CG2 4.31Å; Y247-T249 HydrophobicContact CE1-CG2 3.82Å
248	Q	66.4	Low	79.9	Confident	66 Å²	66	87.5 Å²	87.5	31%	0.308	41%	0.411	S	S	.	.			trans	-96.2	119.1	179.5	-67.4	-157.2	-0.9	0	0	110	L246	L246-Q248 VanDerWaalsContact O-CG 3.31Å; L246-Q248 WeakPolarHBondContact O-CG 3.42Å; L246-Q248 PolarHBondContact O-N 2.98Å
249	T	68.4	Low	79.2	Confident	48 Å²	48	86 Å²	86	29%	0.294	39%	0.386	S	S	.	.			trans	-72.3	151.8	168.8	71.5	0	0	0	0	110.1	Y247 F251 F252 R253	Y247-T249 HydrophobicContact CD1-CG2 4.31Å; Y247-T249 HydrophobicContact CE1-CG2 3.82Å; T249-F251 PolarHBondContact O-N 3.44Å; T249-F251 VanDerWaalsContact O-N 3.1Å; T249-F252 HydrophobicContact CG2-CD2 4.38Å; T249-F252 PolarHBondContact O-N 3.32Å; T249-F252 VanDerWaalsContact O-N 3.11Å; T249-F252 WeakPolarHBondContact OG1-CD2 3.29Å; T249-F252 PolarHBondContact OG1-N 2.71Å; T249-R253 PolarHBondContact O-N 2.81Å; T249-R253 VanDerWaalsContact O-N 3.09Å
250	R	71.2	Confident	78.9	Confident	232 Å²	232	80.6 Å²	80.6	88%	0.875	36%	0.358	S	S	*	.	H	α-helix	trans	-51.6	-35.5	174.2	-71.4	-174.3	175.8	-178.2	-1.4	112.6	Q254	R250-Q254 WeakPolarHBondContact O-CB 3.32Å; R250-Q254 PolarHBondContact O-N 2.75Å
251	F	68.6	Low	78.1	Confident	143 Å²	143	78 Å²	78	63%	0.627	35%	0.349	S	S	*	.	H	α-helix	trans	-63.3	-51.3	178.1	176.1	-98.6	0	0	0	112.3	T249 R253 Q254 L255	T249-F251 PolarHBondContact O-N 3.44Å; T249-F251 VanDerWaalsContact O-N 3.1Å; F251-R253 VanDerWaalsContact C-N 3.34Å; F251-R253 PolarHBondContact O-N 3.12Å; F251-Q254 PolarHBondContact O-N 3.09Å; F251-L255 PolarHBondContact O-N 3.39Å
252	F	70.1	Confident	77.3	Confident	102 Å²	102	76.9 Å²	76.9	45%	0.447	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-39.2	179.7	-74.5	-61.3	0	0	0	111.8	T249 Q254 L255 F256	T249-F252 HydrophobicContact CG2-CD2 4.38Å; T249-F252 PolarHBondContact O-N 3.32Å; T249-F252 VanDerWaalsContact O-N 3.11Å; T249-F252 WeakPolarHBondContact OG1-CD2 3.29Å; T249-F252 PolarHBondContact OG1-N 2.71Å; F252-Q254 PolarHBondContact O-N 3.11Å; F252-L255 PolarHBondContact O-N 2.86Å; F252-F256 HydrophobicContact CB-CD2 4.42Å; F252-F256 HydrophobicContact CB-CE2 4.14Å; F252-F256 WeakPolarHBondContact O-CD2 3.47Å; F252-F256 PolarHBondContact O-N 3.4Å
253	R	74.6	Confident	75.7	Confident	85 Å²	85	75.2 Å²	75.2	32%	0.321	34%	0.336	S	S	.	.	H	α-helix	trans	-56.9	-50.6	173.9	-175.7	177.5	176	-131.9	0.3	111.5	T249 F251 L255 F256 I257 A294	T249-R253 PolarHBondContact O-N 2.81Å; T249-R253 VanDerWaalsContact O-N 3.09Å; F251-R253 VanDerWaalsContact C-N 3.34Å; F251-R253 PolarHBondContact O-N 3.12Å; R253-L255 VanDerWaalsContact C-N 3.3Å; R253-L255 PolarHBondContact O-N 3.08Å; R253-F256 PolarHBondContact O-N 3Å; R253-I257 HydrophobicContact CG-CD1 4.02Å; R253-I257 VanDerWaalsContact O-CG1 3.29Å; R253-I257 WeakPolarHBondContact O-CG1 3.38Å; R253-I257 PolarHBondContact O-N 3.01Å; R253-A294 PolarHBondContact NE-O 2.89Å; R253-A294 PolarHBondContact NH2-O 3.23Å
254	Q	75.1	Confident	74.6	Confident	101 Å²	101	77.6 Å²	77.6	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-39.2	179.4	-168.7	66.3	25.3	0	0	112.2	R250 F251 F252 Y258	R250-Q254 WeakPolarHBondContact O-CB 3.32Å; R250-Q254 PolarHBondContact O-N 2.75Å; F251-Q254 PolarHBondContact O-N 3.09Å; F252-Q254 PolarHBondContact O-N 3.11Å; Q254-Y258 WeakPolarHBondContact O-CB 3.48Å; Q254-Y258 PolarHBondContact O-N 2.77Å
255	L	74.4	Confident	73.7	Confident	69 Å²	69	78.7 Å²	78.7	36%	0.361	36%	0.356	S	S	.	.	H	α-helix	trans	-63.5	-46.3	176.8	-179.2	62.7	0	0	0	111.6	F251 F252 R253 Y258 L259	F251-L255 PolarHBondContact O-N 3.39Å; F252-L255 PolarHBondContact O-N 2.86Å; R253-L255 VanDerWaalsContact C-N 3.3Å; R253-L255 PolarHBondContact O-N 3.08Å; L255-Y258 PolarHBondContact O-N 3.13Å; L255-L259 HydrophobicContact CD1-CD1 4.22Å; L255-L259 HydrophobicContact CD1-CG 4.29Å; L255-L259 HydrophobicContact CG-CD1 4.03Å; L255-L259 HydrophobicContact CG-CG 4.48Å; L255-L259 WeakPolarHBondContact O-CB 3.26Å; L255-L259 VanDerWaalsContact O-CG 3.29Å; L255-L259 WeakPolarHBondContact O-CG 3.13Å; L255-L259 PolarHBondContact O-N 2.85Å
256	F	76.3	Confident	72.9	Confident	101 Å²	101	79 Å²	79	44%	0.443	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-43	177.6	-72.9	-58.1	0	0	0	112.1	F252 R253 Y258 L259 C260	F252-F256 HydrophobicContact CB-CD2 4.42Å; F252-F256 HydrophobicContact CB-CE2 4.14Å; F252-F256 WeakPolarHBondContact O-CD2 3.47Å; F252-F256 PolarHBondContact O-N 3.4Å; R253-F256 PolarHBondContact O-N 3Å; F256-Y258 VanDerWaalsContact C-N 3.32Å; F256-Y258 PolarHBondContact O-N 2.92Å; F256-L259 PolarHBondContact O-N 3.48Å; F256-C260 WeakPolarHBondContact O-CB 3.34Å; F256-C260 PolarHBondContact O-N 3.12Å; F256-C260 PolarHBondContact O-SG 3.02Å
257	I	76.6	Confident	72.6	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-58.7	-46.5	176.4	-64.3	167.9	0	0	0	110.8	A45 F46 R253 C260 G261 A294	A45-I257 HydrophobicContact CB-CG2 3.82Å; F46-I257 HydrophobicContact CD1-CD1 4.34Å; F46-I257 HydrophobicContact CE1-CB 4.23Å; F46-I257 HydrophobicContact CE1-CD1 4.06Å; F46-I257 HydrophobicContact CE1-CG2 3.55Å; F46-I257 HydrophobicContact CE2-CG2 4.36Å; F46-I257 HydrophobicContact CZ-CG2 3.47Å; F46-I257 VanDerWaalsContact CZ-CG2 3.47Å; R253-I257 HydrophobicContact CG-CD1 4.02Å; R253-I257 VanDerWaalsContact O-CG1 3.29Å; R253-I257 WeakPolarHBondContact O-CG1 3.38Å; R253-I257 PolarHBondContact O-N 3.01Å; I257-C260 PolarHBondContact O-N 3.13Å; I257-G261 PolarHBondContact O-N 3.16Å; I257-G261 VanDerWaalsContact O-N 3.13Å; I257-A294 HydrophobicContact CD1-CB 3.63Å; I257-A294 HydrophobicContact CG1-CB 3.67Å
258	Y	74.3	Confident	72.6	Confident	94 Å²	94	75 Å²	75	37%	0.369	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-45.3	178.3	175.2	-95	0	0	0	112.3	V31 Q254 L255 F256 G261 Q262	V31-Y258 HydrophobicContact CG1-CE1 4.49Å; V31-Y258 HydrophobicContact CG2-CE1 4.11Å; Q254-Y258 WeakPolarHBondContact O-CB 3.48Å; Q254-Y258 PolarHBondContact O-N 2.77Å; L255-Y258 PolarHBondContact O-N 3.13Å; F256-Y258 VanDerWaalsContact C-N 3.32Å; F256-Y258 PolarHBondContact O-N 2.92Å; Y258-G261 PolarHBondContact O-N 2.84Å; Y258-Q262 PolarHBondContact O-NE2 3.14Å
259	L	75.8	Confident	73	Confident	36 Å²	36	72.4 Å²	72.4	19%	0.188	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-47.8	178.3	-71.3	173.6	0	0	0	110.8	L255 F256 G261 Q262 L265	L255-L259 HydrophobicContact CD1-CD1 4.22Å; L255-L259 HydrophobicContact CD1-CG 4.29Å; L255-L259 HydrophobicContact CG-CD1 4.03Å; L255-L259 HydrophobicContact CG-CG 4.48Å; L255-L259 WeakPolarHBondContact O-CB 3.26Å; L255-L259 VanDerWaalsContact O-CG 3.29Å; L255-L259 WeakPolarHBondContact O-CG 3.13Å; L255-L259 PolarHBondContact O-N 2.85Å; F256-L259 PolarHBondContact O-N 3.48Å; L259-G261 PolarHBondContact O-N 3.37Å; L259-Q262 WeakPolarHBondContact O-CB 3.47Å; L259-Q262 VanDerWaalsContact O-CG 3.31Å; L259-Q262 WeakPolarHBondContact O-CG 3.5Å; L259-Q262 PolarHBondContact O-N 3.31Å; L259-L265 HydrophobicContact CB-CD1 3.96Å; L259-L265 HydrophobicContact CD2-CD1 3.69Å; L259-L265 HydrophobicContact CG-CD1 4.4Å; L259-L265 WeakPolarHBondContact O-CB 3.41Å; L259-L265 WeakPolarHBondContact O-CD1 3.29Å
260	C	79	Confident	73.4	Confident	4 Å²	4	70.1 Å²	70.1	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-72	-8	-178.8	-58.9	0	0	0	0	114.4	F256 I257 D266 C269 V293	F256-C260 WeakPolarHBondContact O-CB 3.34Å; F256-C260 PolarHBondContact O-N 3.12Å; F256-C260 PolarHBondContact O-SG 3.02Å; I257-C260 PolarHBondContact O-N 3.13Å; C260-D266 WeakPolarHBondContact O-CB 3.48Å; C260-C269 WeakPolarHBondContact CA-SG 3.4Å; C260-C269 HydrophobicContact CB-CB 3.6Å; C260-C269 WeakPolarHBondContact CB-SG 3.45Å; C260-C269 WeakPolarHBondContact SG-CB 3.24Å; C260-C269 CovalentContact SG-SG 2.02Å; C260-C269 PolarHBondContact SG-SG 2.62Å; C260-V293 HydrophobicContact CB-CG2 3.39Å; C260-V293 WeakPolarHBondContact SG-CG2 3.44Å
261	G	72.1	Confident	73.5	Confident	8 Å²	8	61.5 Å²	61.5	8%	0.082	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.1	168.4	0	0	0	0	0	114.2	I257 Y258 L259	I257-G261 PolarHBondContact O-N 3.16Å; I257-G261 VanDerWaalsContact O-N 3.13Å; Y258-G261 PolarHBondContact O-N 2.84Å; L259-G261 PolarHBondContact O-N 3.37Å
262	Q	74.3	Confident	73.7	Confident	9 Å²	9	59.6 Å²	59.6	4%	0.042	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-82.7	139.2	179	-52.2	-59.3	-42.6	0	0	111	T38 Y258 L259 I264 L265 D266	T38-Q262 VanDerWaalsContact CG2-OE1 3.26Å; Y258-Q262 PolarHBondContact O-NE2 3.14Å; L259-Q262 WeakPolarHBondContact O-CB 3.47Å; L259-Q262 VanDerWaalsContact O-CG 3.31Å; L259-Q262 WeakPolarHBondContact O-CG 3.5Å; L259-Q262 PolarHBondContact O-N 3.31Å; Q262-I264 PolarHBondContact O-N 3.07Å; Q262-L265 HydrophobicContact CB-CB 4.16Å; Q262-L265 HydrophobicContact CB-CD1 4.14Å; Q262-L265 HydrophobicContact CB-CG 4.19Å; Q262-L265 HydrophobicContact CG-CD1 4.19Å; Q262-L265 PolarHBondContact O-N 3.18Å; Q262-D266 PolarHBondContact O-N 3.25Å
263	M	61.1	Low	73.9	Confident	135 Å²	135	55.3 Å²	55.3	67%	0.665	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.7	-171.6	-169	173.6	175	0	0	115.9
264	I	69.9	Low	74	Confident	117 Å²	117	51.2 Å²	51.2	60%	0.6	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-28.4	176.1	-65.4	165.8	0	0	0	110.9	Q262	Q262-I264 PolarHBondContact O-N 3.07Å
265	L	73.8	Confident	73.9	Confident	42 Å²	42	49.7 Å²	49.7	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-95.1	-19.5	-171.7	-61.4	-178.3	0	0	0	112.2	L259 Q262 Q267 I268 C269	L259-L265 HydrophobicContact CB-CD1 3.96Å; L259-L265 HydrophobicContact CD2-CD1 3.69Å; L259-L265 HydrophobicContact CG-CD1 4.4Å; L259-L265 WeakPolarHBondContact O-CB 3.41Å; L259-L265 WeakPolarHBondContact O-CD1 3.29Å; Q262-L265 HydrophobicContact CB-CB 4.16Å; Q262-L265 HydrophobicContact CB-CD1 4.14Å; Q262-L265 HydrophobicContact CB-CG 4.19Å; Q262-L265 HydrophobicContact CG-CD1 4.19Å; Q262-L265 PolarHBondContact O-N 3.18Å; L265-Q267 VanDerWaalsContact C-N 3.29Å; L265-Q267 PolarHBondContact O-N 3.16Å; L265-I268 HydrophobicContact CD2-CD1 3.82Å; L265-I268 PolarHBondContact O-N 2.79Å; L265-I268 VanDerWaalsContact O-N 3.12Å; L265-C269 WeakPolarHBondContact O-CB 3.45Å; L265-C269 PolarHBondContact O-N 2.98Å; L265-C269 PolarHBondContact O-SG 2.92Å
266	D	73.3	Confident	73.7	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.134	25%	0.254	C	S	.	.	H	α-helix	trans	-55.5	-44.3	172.3	61.9	-10.4	0	0	0	111.6	C260 Q262 I268 C269 S270 A289	C260-D266 WeakPolarHBondContact O-CB 3.48Å; Q262-D266 PolarHBondContact O-N 3.25Å; D266-I268 VanDerWaalsContact C-N 3.35Å; D266-I268 PolarHBondContact O-N 3.11Å; D266-C269 PolarHBondContact O-N 3.15Å; D266-S270 WeakPolarHBondContact O-CB 3.15Å; D266-S270 PolarHBondContact O-N 2.9Å; D266-S270 PolarHBondContact O-OG 3.13Å; D266-S270 VanDerWaalsContact O-OG 3.1Å; D266-A289 HydrophobicContact CB-CB 3.92Å; D266-A289 WeakPolarHBondContact O-CB 3.26Å
267	Q	73.8	Confident	73.5	Confident	72 Å²	72	46 Å²	46	34%	0.336	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-38.5	175.7	-171.2	62.9	46.4	0	0	111.9	L265 N271	L265-Q267 VanDerWaalsContact C-N 3.29Å; L265-Q267 PolarHBondContact O-N 3.16Å; Q267-N271 PolarHBondContact NE2-OD1 3.49Å; Q267-N271 VanDerWaalsContact NE2-OD1 3.16Å; Q267-N271 VanDerWaalsContact O-CB 3.31Å; Q267-N271 WeakPolarHBondContact O-CB 3.43Å; Q267-N271 PolarHBondContact O-N 3.15Å; Q267-N271 PolarHBondContact O-ND2 3.09Å; Q267-N271 PolarHBondContact O-OD1 2.69Å
268	I	75.4	Confident	73.7	Confident	85 Å²	85	45.9 Å²	45.9	44%	0.436	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-46	176.6	-62.9	-179.4	0	0	0	109.9	L265 D266 N271 I272	L265-I268 HydrophobicContact CD2-CD1 3.82Å; L265-I268 PolarHBondContact O-N 2.79Å; L265-I268 VanDerWaalsContact O-N 3.12Å; D266-I268 VanDerWaalsContact C-N 3.35Å; D266-I268 PolarHBondContact O-N 3.11Å; I268-N271 PolarHBondContact O-N 3.48Å; I268-I272 HydrophobicContact CG2-CD1 4Å; I268-I272 WeakPolarHBondContact O-CG1 3.49Å; I268-I272 PolarHBondContact O-N 3.38Å
269	C	74.8	Confident	74.2	Confident	12 Å²	12	45.3 Å²	45.3	8%	0.081	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-44.2	179.3	-65.7	0	0	0	0	112	C260 L265 D266 N271 I272 I273 V293	C260-C269 WeakPolarHBondContact CA-SG 3.4Å; C260-C269 HydrophobicContact CB-CB 3.6Å; C260-C269 WeakPolarHBondContact CB-SG 3.45Å; C260-C269 WeakPolarHBondContact SG-CB 3.24Å; C260-C269 CovalentContact SG-SG 2.02Å; C260-C269 PolarHBondContact SG-SG 2.62Å; L265-C269 WeakPolarHBondContact O-CB 3.45Å; L265-C269 PolarHBondContact O-N 2.98Å; L265-C269 PolarHBondContact O-SG 2.92Å; D266-C269 PolarHBondContact O-N 3.15Å; C269-N271 VanDerWaalsContact C-N 3.34Å; C269-N271 PolarHBondContact O-N 2.96Å; C269-I272 WeakPolarHBondContact O-CB 3.18Å; C269-I272 PolarHBondContact O-N 3.48Å; C269-I273 PolarHBondContact O-N 3.18Å; C269-V293 HydrophobicContact CB-CG1 4.03Å
270	S	76.4	Confident	74.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-41.5	173.7	-64.4	0	0	0	0	111.9	D266 I272 I273 L274 M286 A289	D266-S270 WeakPolarHBondContact O-CB 3.15Å; D266-S270 PolarHBondContact O-N 2.9Å; D266-S270 PolarHBondContact O-OG 3.13Å; D266-S270 VanDerWaalsContact O-OG 3.1Å; S270-I272 VanDerWaalsContact C-N 3.31Å; S270-I272 PolarHBondContact O-N 2.98Å; S270-I273 PolarHBondContact O-N 3.38Å; S270-L274 WeakPolarHBondContact O-CB 3.36Å; S270-L274 VanDerWaalsContact O-CG 3.23Å; S270-L274 WeakPolarHBondContact O-CG 3.31Å; S270-L274 PolarHBondContact O-N 2.66Å; S270-M286 WeakPolarHBondContact CB-SD 3.37Å; S270-M286 PolarHBondContact OG-SD 3.07Å; S270-A289 VanDerWaalsContact OG-CB 3.29Å; S270-A289 WeakPolarHBondContact OG-CB 3.5Å
271	N	74.4	Confident	74.8	Confident	51 Å²	51	47.2 Å²	47.2	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-37.9	174.8	-72.3	-14.7	0	0	0	111.9	Q267 I268 C269 L274 L275 F279	Q267-N271 PolarHBondContact NE2-OD1 3.49Å; Q267-N271 VanDerWaalsContact NE2-OD1 3.16Å; Q267-N271 VanDerWaalsContact O-CB 3.31Å; Q267-N271 WeakPolarHBondContact O-CB 3.43Å; Q267-N271 PolarHBondContact O-N 3.15Å; Q267-N271 PolarHBondContact O-ND2 3.09Å; Q267-N271 PolarHBondContact O-OD1 2.69Å; I268-N271 PolarHBondContact O-N 3.48Å; C269-N271 VanDerWaalsContact C-N 3.34Å; C269-N271 PolarHBondContact O-N 2.96Å; N271-L274 PolarHBondContact O-N 3.36Å; N271-L275 VanDerWaalsContact O-CG 3.3Å; N271-L275 WeakPolarHBondContact O-CG 3.29Å; N271-L275 PolarHBondContact O-N 3.2Å; N271-F279 HydrophobicContact CB-CE1 4.14Å
272	I	73.1	Confident	75.5	Confident	103 Å²	103	53.7 Å²	53.7	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-43.3	175.1	-69.6	165.4	0	0	0	111.3	I268 C269 S270 L275	I268-I272 HydrophobicContact CG2-CD1 4Å; I268-I272 WeakPolarHBondContact O-CG1 3.49Å; I268-I272 PolarHBondContact O-N 3.38Å; C269-I272 WeakPolarHBondContact O-CB 3.18Å; C269-I272 PolarHBondContact O-N 3.48Å; S270-I272 VanDerWaalsContact C-N 3.31Å; S270-I272 PolarHBondContact O-N 2.98Å; I272-L275 WeakPolarHBondContact O-CB 3.5Å; I272-L275 PolarHBondContact O-N 2.78Å
273	I	72.9	Confident	76.4	Confident	11 Å²	11	53.9 Å²	53.9	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-47.7	174.1	-72.1	170.2	0	0	0	110.4	C269 S270 L275 L276 M284 V293 V387 W391	C269-I273 PolarHBondContact O-N 3.18Å; S270-I273 PolarHBondContact O-N 3.38Å; I273-L275 VanDerWaalsContact C-N 3.28Å; I273-L275 PolarHBondContact O-N 2.91Å; I273-L276 WeakPolarHBondContact O-CB 3.36Å; I273-L276 PolarHBondContact O-N 3.29Å; I273-L276 VanDerWaalsContact O-N 3.1Å; I273-M284 HydrophobicContact CD1-CE 4.33Å; I273-M284 HydrophobicContact CG2-CE 4.21Å; I273-V293 HydrophobicContact CD1-CG1 3.64Å; I273-V293 HydrophobicContact CG1-CG1 4.15Å; I273-V387 HydrophobicContact CG2-CG1 4.33Å; I273-W391 HydrophobicContact CG2-CE3 4.31Å; I273-W391 HydrophobicContact CG2-CH2 4.44Å; I273-W391 HydrophobicContact CG2-CZ3 3.55Å
274	L	76.9	Confident	77.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-29.9	-179.7	-69.3	172.8	0	0	0	112.5	S270 N271 L276 G277 G278 F279 T281 M284 M286 V387	S270-L274 WeakPolarHBondContact O-CB 3.36Å; S270-L274 VanDerWaalsContact O-CG 3.23Å; S270-L274 WeakPolarHBondContact O-CG 3.31Å; S270-L274 PolarHBondContact O-N 2.66Å; N271-L274 PolarHBondContact O-N 3.36Å; L274-L276 PolarHBondContact O-N 2.8Å; L274-L276 VanDerWaalsContact O-N 3.11Å; L274-G277 PolarHBondContact O-N 3.05Å; L274-G278 WeakPolarHBondContact CD2-O 3.45Å; L274-G278 CarbonylContact O-C 3.53Å; L274-G278 WeakPolarHBondContact O-CA 3.35Å; L274-G278 PolarHBondContact O-N 3.06Å; L274-G278 VanDerWaalsContact O-O 3.08Å; L274-F279 HydrophobicContact CB-CD1 3.81Å; L274-F279 HydrophobicContact CB-CE1 3.99Å; L274-F279 HydrophobicContact CB-CG 4.34Å; L274-F279 HydrophobicContact CD1-CD1 3.98Å; L274-T281 HydrophobicContact CD1-CG2 3.73Å; L274-M284 HydrophobicContact CD1-SD 4.38Å; L274-M284 HydrophobicContact CD2-SD 4.01Å; L274-M284 HydrophobicContact CG-SD 4.12Å; L274-M286 HydrophobicContact CD1-CE 4.34Å; L274-V387 HydrophobicContact CD2-CG2 3.48Å; L274-V387 VanDerWaalsContact CD2-CG2 3.48Å
275	L	73.3	Confident	78.7	Confident	69 Å²	69	44.5 Å²	44.5	36%	0.361	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-24.7	174	-77	170.6	0	0	0	112.7	P224 N271 I272 I273 G277 F279	P224-L275 WeakPolarHBondContact CD-O 3.31Å; P224-L275 HydrophobicContact CG-CD2 4.09Å; N271-L275 VanDerWaalsContact O-CG 3.3Å; N271-L275 WeakPolarHBondContact O-CG 3.29Å; N271-L275 PolarHBondContact O-N 3.2Å; I272-L275 WeakPolarHBondContact O-CB 3.5Å; I272-L275 PolarHBondContact O-N 2.78Å; I273-L275 VanDerWaalsContact C-N 3.28Å; I273-L275 PolarHBondContact O-N 2.91Å; L275-G277 VanDerWaalsContact C-N 3.32Å; L275-F279 HydrophobicContact CD2-CE2 3.67Å; L275-F279 HydrophobicContact CD2-CZ 3.53Å; L275-F279 HydrophobicContact CG-CE2 4.33Å; L275-F279 HydrophobicContact CG-CZ 3.82Å
276	L	69.9	Low	79.2	Confident	91 Å²	91	43.9 Å²	43.9	48%	0.476	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-28.8	178.4	-61	176.5	0	0	0	112.5	S223 I273 L274 L359	S223-L276 VanDerWaalsContact CB-O 3.22Å; S223-L276 WeakPolarHBondContact CB-O 3.47Å; S223-L276 PolarHBondContact OG-O 2.93Å; I273-L276 WeakPolarHBondContact O-CB 3.36Å; I273-L276 PolarHBondContact O-N 3.29Å; I273-L276 VanDerWaalsContact O-N 3.1Å; L274-L276 PolarHBondContact O-N 2.8Å; L274-L276 VanDerWaalsContact O-N 3.11Å; L276-L359 VanDerWaalsContact O-CD1 3.25Å; L276-L359 WeakPolarHBondContact O-CD1 3.18Å; L276-L359 VanDerWaalsContact O-CG 3.29Å; L276-L359 WeakPolarHBondContact O-CG 3.2Å
277	G	72.1	Confident	79.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.8	-1.4	-165.8	0	0	0	0	0	117.4	L274 L275 W358 H386	L274-G277 PolarHBondContact O-N 3.05Å; L275-G277 VanDerWaalsContact C-N 3.32Å; G277-W358 PolarHBondContact O-N 3.29Å; G277-H386 VanDerWaalsContact CA-CB 3.49Å; G277-H386 VanDerWaalsContact O-CB 3.23Å; G277-H386 WeakPolarHBondContact O-CB 3.38Å; G277-H386 PolarHBondContact O-N 3.49Å; G277-H386 VanDerWaalsContact O-N 3.14Å
278	G	81.4	Confident	80.6	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.			trans	110.5	159.1	-177.6	0	0	0	0	0	113.3	L274 A385	L274-G278 WeakPolarHBondContact CD2-O 3.45Å; L274-G278 CarbonylContact O-C 3.53Å; L274-G278 WeakPolarHBondContact O-CA 3.35Å; L274-G278 PolarHBondContact O-N 3.06Å; L274-G278 VanDerWaalsContact O-O 3.08Å; G278-A385 VanDerWaalsContact C-CB 3.46Å; G278-A385 WeakPolarHBondContact O-CB 3.4Å
279	F	83.8	Confident	81.1	Confident	82 Å²	82	38.9 Å²	38.9	36%	0.36	21%	0.208	S	C	.	.			trans	-97.7	121.6	-174.3	-72.2	-88.9	0	0	0	112.3	N271 L274 L275 T281 W358	N271-F279 HydrophobicContact CB-CE1 4.14Å; L274-F279 HydrophobicContact CB-CD1 3.81Å; L274-F279 HydrophobicContact CB-CE1 3.99Å; L274-F279 HydrophobicContact CB-CG 4.34Å; L274-F279 HydrophobicContact CD1-CD1 3.98Å; L275-F279 HydrophobicContact CD2-CE2 3.67Å; L275-F279 HydrophobicContact CD2-CZ 3.53Å; L275-F279 HydrophobicContact CG-CE2 4.33Å; L275-F279 HydrophobicContact CG-CZ 3.82Å; F279-T281 HydrophobicContact CD1-CG2 4.27Å; F279-W358 AromaticContact CD2-CH2 3.53Å; F279-W358 HydrophobicContact CD2-CH2 3.53Å; F279-W358 AromaticContact CD2-CZ2 3.92Å; F279-W358 HydrophobicContact CD2-CZ2 3.92Å; F279-W358 HydrophobicContact CD2-CZ3 4.21Å; F279-W358 AromaticContact CE2-CH2 3.57Å; F279-W358 HydrophobicContact CE2-CH2 3.57Å; F279-W358 HydrophobicContact CE2-CZ2 4.4Å; F279-W358 HydrophobicContact CE2-CZ3 4.05Å
280	N	85.3	Confident	81.5	Confident	25 Å²	25	38.8 Å²	38.8	13%	0.134	21%	0.206	C	C	.	.			trans	-137.7	71.6	159.3	-170.8	1.6	0	0	0	109.8	N282 N283 E383 A385 D388	N280-N282 PolarHBondContact O-N 3.31Å; N280-N282 VanDerWaalsContact O-N 3.17Å; N280-N283 HydrophobicContact CB-CB 4.43Å; N280-N283 VanDerWaalsContact CG-CB 3.49Å; N280-N283 WeakPolarHBondContact ND2-CB 3.29Å; N280-N283 PolarHBondContact O-N 3.48Å; N280-N283 VanDerWaalsContact O-N 3.11Å; N280-E383 PolarHBondContact ND2-O 3.39Å; N280-A385 HydrophobicContact CB-CB 4.26Å; N280-D388 PolarHBondContact ND2-OD1 3.06Å
281	T	82.5	Confident	82.2	Confident	55 Å²	55	38.8 Å²	38.8	34%	0.337	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-62.6	-25.7	-173.1	52.2	0	0	0	0	113.4	L274 F279 N283 M286	L274-T281 HydrophobicContact CD1-CG2 3.73Å; F279-T281 HydrophobicContact CD1-CG2 4.27Å; T281-N283 VanDerWaalsContact C-N 3.28Å; T281-N283 PolarHBondContact O-N 3.37Å; T281-M286 HydrophobicContact CG2-CE 3.91Å; T281-M286 VanDerWaalsContact O-CE 3.26Å; T281-M286 WeakPolarHBondContact O-CE 3.38Å
282	N	87.6	Confident	83	Confident	144 Å²	144	36.3 Å²	36.3	77%	0.77	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-77.2	-17	-179.6	-65.7	-24.6	0	0	0	112.9	N280	N280-N282 PolarHBondContact O-N 3.31Å; N280-N282 VanDerWaalsContact O-N 3.17Å
283	N	92.8	Very high	83.6	Confident	13 Å²	13	32.6 Å²	32.6	7%	0.07	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-109	10.7	-176.1	-157.7	31	0	0	0	113.1	N280 T281 W384 D388 G392 L393 D394	N280-N283 HydrophobicContact CB-CB 4.43Å; N280-N283 VanDerWaalsContact CG-CB 3.49Å; N280-N283 WeakPolarHBondContact ND2-CB 3.29Å; N280-N283 PolarHBondContact O-N 3.48Å; N280-N283 VanDerWaalsContact O-N 3.11Å; T281-N283 VanDerWaalsContact C-N 3.28Å; T281-N283 PolarHBondContact O-N 3.37Å; N283-W384 PolarHBondContact ND2-NE1 3.09Å; N283-D388 WeakPolarHBondContact CB-OD1 3.49Å; N283-D388 PolarHBondContact ND2-OD1 3.46Å; N283-G392 CarbonylContact O-C 3.45Å; N283-G392 VanDerWaalsContact O-CA 3.22Å; N283-G392 WeakPolarHBondContact O-CA 3.43Å; N283-L393 PolarHBondContact O-N 2.88Å; N283-L393 PolarHBondContact OD1-N 3.47Å; N283-L393 VanDerWaalsContact OD1-N 3.12Å; N283-D394 VanDerWaalsContact CG-OD1 3.31Å; N283-D394 PolarHBondContact ND2-OD1 3.48Å; N283-D394 PolarHBondContact OD1-N 3.43Å; N283-D394 VanDerWaalsContact OD1-N 3.11Å; N283-D394 PolarHBondContact OD1-OD1 3.26Å; N283-D394 VanDerWaalsContact OD1-OD1 3.08Å
284	M	89.5	Confident	84.3	Confident	9 Å²	9	32.2 Å²	32.2	4%	0.044	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-116.7	136.9	176.6	-173.9	173.5	176.9	0	0	110	I273 L274 M286 Y292 W391	I273-M284 HydrophobicContact CD1-CE 4.33Å; I273-M284 HydrophobicContact CG2-CE 4.21Å; L274-M284 HydrophobicContact CD1-SD 4.38Å; L274-M284 HydrophobicContact CD2-SD 4.01Å; L274-M284 HydrophobicContact CG-SD 4.12Å; M284-M286 HydrophobicContact CB-CE 4.24Å; M284-M286 PolarHBondContact O-N 3.41Å; M284-Y292 HydrophobicContact CE-CD2 3.15Å; M284-Y292 HydrophobicContact CE-CE2 3.43Å; M284-Y292 VanDerWaalsContact CE-CE2 3.43Å; M284-Y292 HydrophobicContact CE-CG 4.06Å; M284-Y292 HydrophobicContact CG-CE2 4.13Å; M284-W391 HydrophobicContact CE-CE3 4.18Å
285	N	90.1	Very high	85	Confident	46 Å²	46	32.6 Å²	32.6	25%	0.246	18%	0.175	C	C	.	.			trans	-76	92.4	176.1	-168.7	-17.4	0	0	0	110.8	S287 R288 Y292 L393	N285-S287 PolarHBondContact O-N 3.01Å; N285-S287 VanDerWaalsContact O-N 3.13Å; N285-S287 WeakPolarHBondContact OD1-CB 3.13Å; N285-S287 PolarHBondContact OD1-N 3.09Å; N285-S287 VanDerWaalsContact OD1-N 3.16Å; N285-R288 HydrophobicContact CB-CB 4.46Å; N285-R288 HydrophobicContact CB-CG 4.29Å; N285-R288 PolarHBondContact O-N 3.47Å; N285-Y292 WeakPolarHBondContact O-CE2 3.17Å; N285-L393 HydrophobicContact CB-CD2 3.89Å
286	M	84.4	Confident	85.6	Confident	29 Å²	29	30.3 Å²	30.3	14%	0.143	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-58	-29.2	-179.2	-61	-59	173.7	0	0	113.3	S270 L274 T281 M284 R288 A289	S270-M286 WeakPolarHBondContact CB-SD 3.37Å; S270-M286 PolarHBondContact OG-SD 3.07Å; L274-M286 HydrophobicContact CD1-CE 4.34Å; T281-M286 HydrophobicContact CG2-CE 3.91Å; T281-M286 VanDerWaalsContact O-CE 3.26Å; T281-M286 WeakPolarHBondContact O-CE 3.38Å; M284-M286 HydrophobicContact CB-CE 4.24Å; M284-M286 PolarHBondContact O-N 3.41Å; M286-R288 PolarHBondContact O-N 3.26Å; M286-R288 VanDerWaalsContact O-N 3.15Å; M286-A289 VanDerWaalsContact O-CB 3.3Å; M286-A289 WeakPolarHBondContact O-CB 3.4Å; M286-A289 PolarHBondContact O-N 3.44Å; M286-A289 VanDerWaalsContact O-N 3.11Å
287	S	85.8	Confident	86.6	Confident	60 Å²	60	28 Å²	28	42%	0.42	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-68.7	-9.7	176	-72.7	0	0	0	0	114	K39 N285	K39-S287 PolarHBondContact NZ-OG 3.07Å; K39-S287 VanDerWaalsContact NZ-OG 3.13Å; N285-S287 PolarHBondContact O-N 3.01Å; N285-S287 VanDerWaalsContact O-N 3.13Å; N285-S287 WeakPolarHBondContact OD1-CB 3.13Å; N285-S287 PolarHBondContact OD1-N 3.09Å; N285-S287 VanDerWaalsContact OD1-N 3.16Å
288	R	89.6	Confident	87.5	Confident	17 Å²	17	28.2 Å²	28.2	6%	0.064	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-104.7	10.6	173.6	-61.5	-160.9	78.5	67	2.7	113.3	D42 E44 S109 N285 M286 N290 V291 Y292	D42-R288 IonicContact OD1-NH2 3.6Å; D42-R288 PolarHBondContact OD1-NH2 3.22Å; D42-R288 IonicContact OD2-CZ 3.25Å; D42-R288 VanDerWaalsContact OD2-CZ 3.29Å; D42-R288 IonicContact OD2-NH1 2.65Å; D42-R288 PolarHBondContact OD2-NH1 3.25Å; D42-R288 IonicContact OD2-NH2 3.85Å; D42-R288 PolarHBondContact OD2-NH2 3.13Å; D42-R288 VanDerWaalsContact OD2-NH2 3.13Å; E44-R288 IonicContact OE1-NH2 2.71Å; E44-R288 PolarHBondContact OE1-NH2 3.4Å; E44-R288 VanDerWaalsContact OE1-NH2 3.14Å; E44-R288 IonicContact OE2-CZ 3.84Å; E44-R288 IonicContact OE2-NH2 2.79Å; E44-R288 PolarHBondContact OE2-NH2 2.82Å; S109-R288 PolarHBondContact O-NE 3.2Å; N285-R288 HydrophobicContact CB-CB 4.46Å; N285-R288 HydrophobicContact CB-CG 4.29Å; N285-R288 PolarHBondContact O-N 3.47Å; M286-R288 PolarHBondContact O-N 3.26Å; M286-R288 VanDerWaalsContact O-N 3.15Å; R288-N290 PolarHBondContact O-N 3.21Å; R288-N290 VanDerWaalsContact O-N 3.16Å; R288-V291 WeakPolarHBondContact O-CB 3.39Å; R288-V291 PolarHBondContact O-N 3.2Å; R288-Y292 HydrophobicContact CB-CD2 4.45Å; R288-Y292 HydrophobicContact CB-CE1 4.07Å; R288-Y292 HydrophobicContact CB-CE2 3.74Å; R288-Y292 VanDerWaalsContact O-CD2 3.26Å; R288-Y292 WeakPolarHBondContact O-CD2 3.13Å; R288-Y292 PolarHBondContact O-N 2.93Å; R288-Y292 VanDerWaalsContact O-N 3.15Å
289	A	86	Confident	88	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-49.3	-44.6	-179.9	0	0	0	0	0	112.8	D266 S270 M286 V291 Y292 V293	D266-A289 HydrophobicContact CB-CB 3.92Å; D266-A289 WeakPolarHBondContact O-CB 3.26Å; S270-A289 VanDerWaalsContact OG-CB 3.29Å; S270-A289 WeakPolarHBondContact OG-CB 3.5Å; M286-A289 VanDerWaalsContact O-CB 3.3Å; M286-A289 WeakPolarHBondContact O-CB 3.4Å; M286-A289 PolarHBondContact O-N 3.44Å; M286-A289 VanDerWaalsContact O-N 3.11Å; A289-V291 VanDerWaalsContact C-N 3.32Å; A289-V291 PolarHBondContact O-N 3.08Å; A289-Y292 PolarHBondContact O-N 3.1Å; A289-V293 WeakPolarHBondContact O-CG2 3.31Å; A289-V293 PolarHBondContact O-N 2.85Å
290	N	84.8	Confident	88.6	Confident	9 Å²	9	24.9 Å²	24.9	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-58.4	-34.8	175.9	61.1	-17.3	0	0	0	114.4	A41 D42 R288 A294	A41-N290 WeakPolarHBondContact CA-ND2 3.46Å; D42-N290 PolarHBondContact N-ND2 3.45Å; R288-N290 PolarHBondContact O-N 3.21Å; R288-N290 VanDerWaalsContact O-N 3.16Å; N290-A294 VanDerWaalsContact O-CB 3.24Å; N290-A294 WeakPolarHBondContact O-CB 3.39Å; N290-A294 PolarHBondContact O-N 2.9Å
291	V	91.1	Very high	89.2	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-72.2	-43.6	175.6	179.9	0	0	0	0	109.7	D42 E44 A45 R288 A289 A294 H295	D42-V291 HydrophobicContact CB-CG2 3.62Å; E44-V291 HydrophobicContact CB-CG1 4.27Å; E44-V291 HydrophobicContact CB-CG2 4.27Å; A45-V291 HydrophobicContact CB-CG2 4.39Å; R288-V291 WeakPolarHBondContact O-CB 3.39Å; R288-V291 PolarHBondContact O-N 3.2Å; A289-V291 VanDerWaalsContact C-N 3.32Å; A289-V291 PolarHBondContact O-N 3.08Å; V291-A294 WeakPolarHBondContact O-CB 3.45Å; V291-A294 PolarHBondContact O-N 3.39Å; V291-H295 PolarHBondContact O-CD2 3.36Å; V291-H295 PolarHBondContact O-N 3.48Å
292	Y	90.7	Very high	89.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-47.7	-179.9	-49.3	-44.4	0	0	0	112.1	N110 M284 N285 R288 A289 A294 H295 T296 W391	N110-Y292 WeakPolarHBondContact OD1-CE1 3.26Å; N110-Y292 PolarHBondContact OD1-OH 3.01Å; M284-Y292 HydrophobicContact CE-CD2 3.15Å; M284-Y292 HydrophobicContact CE-CE2 3.43Å; M284-Y292 VanDerWaalsContact CE-CE2 3.43Å; M284-Y292 HydrophobicContact CE-CG 4.06Å; M284-Y292 HydrophobicContact CG-CE2 4.13Å; N285-Y292 WeakPolarHBondContact O-CE2 3.17Å; R288-Y292 HydrophobicContact CB-CD2 4.45Å; R288-Y292 HydrophobicContact CB-CE1 4.07Å; R288-Y292 HydrophobicContact CB-CE2 3.74Å; R288-Y292 VanDerWaalsContact O-CD2 3.26Å; R288-Y292 WeakPolarHBondContact O-CD2 3.13Å; R288-Y292 PolarHBondContact O-N 2.93Å; R288-Y292 VanDerWaalsContact O-N 3.15Å; A289-Y292 PolarHBondContact O-N 3.1Å; Y292-A294 VanDerWaalsContact C-N 3.26Å; Y292-A294 PolarHBondContact O-N 3.36Å; Y292-H295 PolarHBondContact O-N 3.11Å; Y292-T296 WeakPolarHBondContact O-CB 3.43Å; Y292-T296 PolarHBondContact O-N 2.89Å; Y292-W391 AromaticContact CD1-CD2 3.97Å; Y292-W391 HydrophobicContact CD1-CD2 3.97Å; Y292-W391 AromaticContact CD1-CE2 3.73Å; Y292-W391 HydrophobicContact CD1-CG 4.21Å; Y292-W391 HydrophobicContact CD1-CZ2 4.14Å; Y292-W391 AromaticContact CD1-NE1 3.81Å; Y292-W391 AromaticContact CE1-CD1 3.8Å; Y292-W391 HydrophobicContact CE1-CD2 4.19Å; Y292-W391 AromaticContact CE1-CG 3.93Å; Y292-W391 HydrophobicContact CE1-CG 3.93Å; Y292-W391 AromaticContact CE1-NE1 3.96Å; Y292-W391 HydrophobicContact CG-CD2 4.34Å; Y292-W391 HydrophobicContact CG-CE3 4.49Å; Y292-W391 HydrophobicContact CG-CZ2 4.44Å
293	V	86.3	Confident	90.3	Very high	24 Å²	24	15.4 Å²	15.4	15%	0.145	9%	0.091	C	C	.	.	H	α-helix	trans	-69.4	-21.9	177.1	-73.9	0	0	0	0	113.6	C260 C269 I273 A289 H295	C260-V293 HydrophobicContact CB-CG2 3.39Å; C260-V293 WeakPolarHBondContact SG-CG2 3.44Å; C269-V293 HydrophobicContact CB-CG1 4.03Å; I273-V293 HydrophobicContact CD1-CG1 3.64Å; I273-V293 HydrophobicContact CG1-CG1 4.15Å; A289-V293 WeakPolarHBondContact O-CG2 3.31Å; A289-V293 PolarHBondContact O-N 2.85Å; V293-H295 PolarHBondContact O-N 3.42Å
294	A	87.1	Confident	90.6	Very high	4 Å²	4	14.8 Å²	14.8	3%	0.033	9%	0.088	C	C	.	.	H	α-helix	trans	-68.1	-28.9	176.2	0	0	0	0	0	112.9	A45 R253 I257 N290 V291 Y292	A45-A294 HydrophobicContact CB-CB 3.92Å; A45-A294 WeakPolarHBondContact O-CB 3.44Å; R253-A294 PolarHBondContact NE-O 2.89Å; R253-A294 PolarHBondContact NH2-O 3.23Å; I257-A294 HydrophobicContact CD1-CB 3.63Å; I257-A294 HydrophobicContact CG1-CB 3.67Å; N290-A294 VanDerWaalsContact O-CB 3.24Å; N290-A294 WeakPolarHBondContact O-CB 3.39Å; N290-A294 PolarHBondContact O-N 2.9Å; V291-A294 WeakPolarHBondContact O-CB 3.45Å; V291-A294 PolarHBondContact O-N 3.39Å; Y292-A294 VanDerWaalsContact C-N 3.26Å; Y292-A294 PolarHBondContact O-N 3.36Å
295	H	90.4	Very high	90.9	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.032	9%	0.088	C	C	.	.	H	α-helix	trans	-116.9	-4.5	-173	-57.2	-54.7	0	0	0	113.3	E44 M47 S105 V291 Y292 V293	E44-H295 PolarHBondContact O-NE2 3.29Å; M47-H295 PolarHBondContact O-CE1 2.82Å; S105-H295 VanDerWaalsContact OG-CB 3.23Å; S105-H295 WeakPolarHBondContact OG-CB 3.36Å; V291-H295 PolarHBondContact O-CD2 3.36Å; V291-H295 PolarHBondContact O-N 3.48Å; Y292-H295 PolarHBondContact O-N 3.11Å; V293-H295 PolarHBondContact O-N 3.42Å
296	T	87.6	Confident	91.2	Very high	21 Å²	21	12.7 Å²	12.7	13%	0.129	8%	0.077	C	C	.	.	S	Bend	trans	-139	125.3	175.9	-60.3	0	0	0	0	110.2	Y292 W391	Y292-T296 WeakPolarHBondContact O-CB 3.43Å; Y292-T296 PolarHBondContact O-N 2.89Å; T296-W391 HydrophobicContact CG2-CH2 4.41Å
297	P	89.2	Confident	91.8	Very high	44 Å²	44	11.3 Å²	11.3	29%	0.286	7%	0.07	S	C	.	.	S	Bend	cis	-75.5	141.8	3.1	31.1	-35.4	0	0	0	113.3	L101	L101-P297 HydrophobicContact CB-CB 3.87Å; L101-P297 HydrophobicContact CD1-CB 4.26Å; L101-P297 HydrophobicContact CD2-CB 3.95Å; L101-P297 HydrophobicContact CG-CB 4.26Å; L101-P297 CarbonylContact O-C 3.4Å; L101-P297 WeakPolarHBondContact O-CA 3.16Å
298	A	91.3	Very high	92.3	Very high	3 Å²	3	8.9 Å²	8.9	3%	0.025	5%	0.052	C	C	.	.			trans	-94.5	-5.9	178.7	0	0	0	0	0	114.1	L101 G102 D103 N135 T136	L101-A298 PolarHBondContact O-N 2.89Å; G102-A298 WeakPolarHBondContact O-CB 3.38Å; D103-A298 HydrophobicContact CB-CB 3.67Å; N135-A298 CarbonylContact C-O 3.35Å; N135-A298 WeakPolarHBondContact CA-O 3.2Å; N135-A298 HydrophobicContact CB-CB 4.34Å; T136-A298 PolarHBondContact N-O 2.9Å; T136-A298 PolarHBondContact OG1-O 2.83Å
299	G	91.9	Very high	92.5	Very high	10 Å²	10	8 Å²	8	10%	0.103	5%	0.049	C	C	.	.			trans	111.3	147.7	178	0	0	0	0	0	114.3
300	T	96.4	Very high	92.9	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.018	5%	0.052	C	C	.	.			trans	-161.4	165.2	173.8	-171	0	0	0	0	108.9	L101 F245 N304 I305	L101-T300 HydrophobicContact CD2-CG2 3.34Å; L101-T300 HydrophobicContact CG-CG2 4.13Å; F245-T300 HydrophobicContact CB-CG2 3.91Å; F245-T300 HydrophobicContact CD1-CG2 4.24Å; F245-T300 HydrophobicContact CG-CG2 4.5Å; F245-T300 PolarHBondContact N-O 3.24Å; T300-N304 WeakPolarHBondContact OG1-CB 3.47Å; T300-N304 PolarHBondContact OG1-ND2 2.89Å; T300-I305 HydrophobicContact CG2-CD1 3.88Å; T300-I305 HydrophobicContact CG2-CG1 4.07Å
301	S	97.8	Very high	93.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-74.7	153.1	170.4	60.8	0	0	0	0	113	W152 F154 Q303 N304 I305	W152-S301 WeakPolarHBondContact O-CB 3.46Å; F154-S301 WeakPolarHBondContact CE2-OG 3.2Å; F154-S301 PolarHBondContact O-OG 3.35Å; S301-Q303 PolarHBondContact O-N 3.25Å; S301-N304 WeakPolarHBondContact O-CB 3.29Å; S301-N304 PolarHBondContact O-N 3.33Å; S301-N304 VanDerWaalsContact OG-CB 3.29Å; S301-N304 WeakPolarHBondContact OG-CB 3.39Å; S301-N304 PolarHBondContact OG-N 2.99Å; S301-I305 PolarHBondContact O-N 3.11Å
302	V	96.7	Very high	93.4	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	6%	0.055	C	C	.	.	H	α-helix	trans	-59.7	-35.7	165.5	173.3	0	0	0	0	110.9	I236 F240 Q243 F245 N304 I305 L306	I236-V302 HydrophobicContact CG2-CG1 4.3Å; F240-V302 HydrophobicContact CB-CG2 3.68Å; Q243-V302 WeakPolarHBondContact O-CG2 3.26Å; Q243-V302 PolarHBondContact O-N 2.96Å; F245-V302 HydrophobicContact CB-CG2 4.08Å; F245-V302 HydrophobicContact CD2-CG2 4.45Å; V302-N304 VanDerWaalsContact C-N 3.29Å; V302-N304 PolarHBondContact O-N 3.35Å; V302-I305 WeakPolarHBondContact O-CB 3.42Å; V302-I305 PolarHBondContact O-N 2.71Å; V302-I305 VanDerWaalsContact O-N 3.09Å; V302-L306 HydrophobicContact CG1-CD1 4.12Å; V302-L306 HydrophobicContact CG1-CG 4.27Å; V302-L306 WeakPolarHBondContact O-CG 3.17Å; V302-L306 PolarHBondContact O-N 3.32Å
303	Q	97.9	Very high	93.4	Very high	23 Å²	23	13.9 Å²	13.9	11%	0.107	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-37.7	176.3	178.5	170.4	-49	0	0	112.4	A153 F154 S301 I305 L306 H307 F320	A153-Q303 VanDerWaalsContact C-CD 3.47Å; A153-Q303 VanDerWaalsContact C-NE2 3.25Å; A153-Q303 VanDerWaalsContact CA-OE1 3.32Å; A153-Q303 PolarHBondContact O-NE2 2.92Å; F154-Q303 WeakPolarHBondContact O-CB 3.47Å; F154-Q303 WeakPolarHBondContact O-CG 3.25Å; S301-Q303 PolarHBondContact O-N 3.25Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 3.34Å; Q303-L306 WeakPolarHBondContact O-CB 3.37Å; Q303-L306 PolarHBondContact O-N 3.15Å; Q303-H307 PolarHBondContact O-N 3.31Å; Q303-F320 HydrophobicContact CG-CD1 4.24Å; Q303-F320 HydrophobicContact CG-CE1 3.8Å; Q303-F320 HydrophobicContact CG-CE2 4.09Å; Q303-F320 HydrophobicContact CG-CZ 3.72Å
304	N	98.1	Very high	93.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.7	-38.1	174.6	-166.6	40.4	0	0	0	112.3	F154 S155 Y156 Q187 T300 S301 V302 H307 W308	F154-N304 PolarHBondContact O-N 3.42Å; S155-N304 WeakPolarHBondContact CA-OD1 3.44Å; Y156-N304 WeakPolarHBondContact CD1-OD1 3.31Å; Y156-N304 PolarHBondContact N-OD1 3.16Å; Q187-N304 PolarHBondContact OE1-ND2 2.72Å; T300-N304 WeakPolarHBondContact OG1-CB 3.47Å; T300-N304 PolarHBondContact OG1-ND2 2.89Å; S301-N304 WeakPolarHBondContact O-CB 3.29Å; S301-N304 PolarHBondContact O-N 3.33Å; S301-N304 VanDerWaalsContact OG-CB 3.29Å; S301-N304 WeakPolarHBondContact OG-CB 3.39Å; S301-N304 PolarHBondContact OG-N 2.99Å; V302-N304 VanDerWaalsContact C-N 3.29Å; V302-N304 PolarHBondContact O-N 3.35Å; N304-H307 PolarHBondContact O-N 3.44Å; N304-W308 VanDerWaalsContact O-CD1 3.28Å; N304-W308 PolarHBondContact O-N 3.48Å
305	I	95.8	Very high	93.9	Very high	7 Å²	7	14.9 Å²	14.9	4%	0.036	9%	0.091	C	C	.	.	H	α-helix	trans	-66.5	-40.4	174.8	-59.8	-54.9	0	0	0	111.3	L100 F228 L229 F245 T300 S301 V302 Q303 H307 W308 S309	L100-I305 HydrophobicContact CD1-CD1 4.1Å; F228-I305 HydrophobicContact CE1-CG2 4.03Å; L229-I305 HydrophobicContact CD2-CG2 3.71Å; F245-I305 HydrophobicContact CB-CG1 3.88Å; F245-I305 HydrophobicContact CD1-CD1 3.9Å; F245-I305 HydrophobicContact CD1-CG1 3.7Å; F245-I305 HydrophobicContact CD2-CB 4.49Å; F245-I305 HydrophobicContact CD2-CG1 3.86Å; F245-I305 HydrophobicContact CD2-CG2 4.49Å; F245-I305 HydrophobicContact CE1-CD1 4.1Å; F245-I305 HydrophobicContact CE1-CG1 4.12Å; F245-I305 HydrophobicContact CE2-CG1 4.28Å; F245-I305 HydrophobicContact CE2-CG2 4.3Å; F245-I305 HydrophobicContact CG-CD1 4.27Å; F245-I305 HydrophobicContact CG-CG1 3.54Å; F245-I305 HydrophobicContact CZ-CG1 4.39Å; T300-I305 HydrophobicContact CG2-CD1 3.88Å; T300-I305 HydrophobicContact CG2-CG1 4.07Å; S301-I305 PolarHBondContact O-N 3.11Å; V302-I305 WeakPolarHBondContact O-CB 3.42Å; V302-I305 PolarHBondContact O-N 2.71Å; V302-I305 VanDerWaalsContact O-N 3.09Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 3.34Å; I305-H307 VanDerWaalsContact C-N 3.28Å; I305-H307 PolarHBondContact O-N 3.15Å; I305-W308 PolarHBondContact O-N 3.13Å; I305-S309 PolarHBondContact O-N 3.38Å
306	L	96.7	Very high	94.1	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-37.4	173.1	-68.3	168.8	0	0	0	111.5	D233 I236 K237 V302 Q303 W308 S309 Q310 F320	D233-L306 HydrophobicContact CB-CD2 3.92Å; I236-L306 HydrophobicContact CB-CD2 3.88Å; I236-L306 HydrophobicContact CD1-CD2 4.15Å; I236-L306 HydrophobicContact CG2-CD2 3.82Å; I236-L306 HydrophobicContact CG2-CG 4.38Å; K237-L306 HydrophobicContact CD-CD1 4.21Å; K237-L306 HydrophobicContact CG-CD1 3.93Å; V302-L306 HydrophobicContact CG1-CD1 4.12Å; V302-L306 HydrophobicContact CG1-CG 4.27Å; V302-L306 WeakPolarHBondContact O-CG 3.17Å; V302-L306 PolarHBondContact O-N 3.32Å; Q303-L306 WeakPolarHBondContact O-CB 3.37Å; Q303-L306 PolarHBondContact O-N 3.15Å; L306-W308 VanDerWaalsContact C-N 3.33Å; L306-W308 PolarHBondContact O-N 3.41Å; L306-S309 VanDerWaalsContact O-CB 3.31Å; L306-S309 WeakPolarHBondContact O-CB 3.23Å; L306-S309 PolarHBondContact O-N 3.41Å; L306-Q310 WeakPolarHBondContact O-CG 3.39Å; L306-Q310 PolarHBondContact O-N 2.91Å; L306-F320 HydrophobicContact CB-CE2 3.93Å; L306-F320 HydrophobicContact CB-CZ 4.32Å
307	H	97.5	Very high	94.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-65.4	-38.7	176.2	-159.6	176.4	0	0	0	111.8	S155 Y156 D157 Q303 N304 I305 Q310 A311 R318 A319 F320	S155-H307 WeakPolarHBondContact CB-ND1 3.48Å; S155-H307 PolarHBondContact OG-ND1 2.89Å; Y156-H307 HydrophobicContact CD1-CB 4.44Å; Y156-H307 AromaticContact CD2-CE1 3.86Å; Y156-H307 AromaticContact CD2-ND1 3.81Å; Y156-H307 HydrophobicContact CE1-CB 3.78Å; Y156-H307 AromaticContact CE1-CG 3.58Å; Y156-H307 AromaticContact CE1-ND1 3.69Å; Y156-H307 AromaticContact CE2-CE1 3.17Å; Y156-H307 WeakPolarHBondContact CE2-CE1 3.29Å; Y156-H307 AromaticContact CE2-CG 3.93Å; Y156-H307 AromaticContact CE2-ND1 3.37Å; Y156-H307 WeakPolarHBondContact CE2-ND1 3.3Å; Y156-H307 AromaticContact CE2-NE2 3.66Å; Y156-H307 AromaticContact CZ-CD2 3.53Å; Y156-H307 AromaticContact CZ-CE1 3.41Å; Y156-H307 VanDerWaalsContact CZ-CE1 3.41Å; Y156-H307 AromaticContact CZ-CG 3.36Å; Y156-H307 AromaticContact CZ-ND1 3.31Å; Y156-H307 VanDerWaalsContact CZ-ND1 3.31Å; Y156-H307 AromaticContact CZ-NE2 3.56Å; Y156-H307 PolarHBondContact OH-CD2 3.34Å; Y156-H307 PolarHBondContact OH-NE2 2.8Å; Y156-H307 PolarHBondContact OH-O 2.97Å; D157-H307 VanDerWaalsContact CG-CE1 3.44Å; D157-H307 IonicContact OD1-CE1 3.53Å; D157-H307 PolarHBondContact OD1-CE1 2.75Å; D157-H307 IonicContact OD2-CE1 3.14Å; D157-H307 PolarHBondContact OD2-CE1 3.16Å; D157-H307 VanDerWaalsContact OD2-CE1 3.25Å; D157-H307 IonicContact OD2-ND1 3.83Å; Q303-H307 PolarHBondContact O-N 3.31Å; N304-H307 PolarHBondContact O-N 3.44Å; I305-H307 VanDerWaalsContact C-N 3.28Å; I305-H307 PolarHBondContact O-N 3.15Å; H307-Q310 PolarHBondContact O-N 3.1Å; H307-A311 PolarHBondContact O-N 3.25Å; H307-R318 PolarHBondContact CE1-O 3.2Å; H307-R318 PolarHBondContact NE2-O 3.36Å; H307-A319 VanDerWaalsContact NE2-C 3.26Å; H307-F320 HydrophobicContact CB-CD2 3.54Å; H307-F320 HydrophobicContact CB-CE2 4.1Å; H307-F320 AromaticContact CD2-CD2 3.9Å; H307-F320 PolarHBondContact CE1-N 2.99Å; H307-F320 AromaticContact CG-CD2 3.61Å; H307-F320 WeakPolarHBondContact NE2-CA 3.44Å; H307-F320 PolarHBondContact NE2-N 2.95Å
308	W	95.3	Very high	94.8	Very high	8 Å²	8	17.6 Å²	17.6	3%	0.03	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-37.8	170.6	-76.6	115.7	0	0	0	113	Y156 Q187 T190 I215 V218 L229 N304 I305 L306 Q310 A311 V312	Y156-W308 HydrophobicContact CD1-CD2 4.23Å; Y156-W308 AromaticContact CD1-CE2 3.63Å; Y156-W308 AromaticContact CD1-CZ2 3.89Å; Y156-W308 HydrophobicContact CD1-CZ2 3.89Å; Y156-W308 AromaticContact CD1-NE1 3.55Å; Y156-W308 AromaticContact CE1-CD1 3.99Å; Y156-W308 AromaticContact CE1-CD2 3.67Å; Y156-W308 HydrophobicContact CE1-CD2 3.67Å; Y156-W308 AromaticContact CE1-CE2 3.54Å; Y156-W308 HydrophobicContact CE1-CE3 4.15Å; Y156-W308 AromaticContact CE1-CG 3.98Å; Y156-W308 HydrophobicContact CE1-CG 3.98Å; Y156-W308 HydrophobicContact CE1-CH2 4.38Å; Y156-W308 AromaticContact CE1-CZ2 3.95Å; Y156-W308 HydrophobicContact CE1-CZ2 3.95Å; Y156-W308 HydrophobicContact CE1-CZ3 4.47Å; Y156-W308 AromaticContact CE1-NE1 3.74Å; Q187-W308 HydrophobicContact CB-CZ2 3.99Å; Q187-W308 HydrophobicContact CG-CZ2 3.9Å; T190-W308 HydrophobicContact CG2-CH2 4.13Å; T190-W308 WeakPolarHBondContact OG1-CH2 3.2Å; I215-W308 HydrophobicContact CB-CH2 4.31Å; I215-W308 HydrophobicContact CG2-CH2 3.49Å; I215-W308 VanDerWaalsContact CG2-CH2 3.49Å; I215-W308 HydrophobicContact CG2-CZ3 3.6Å; V218-W308 HydrophobicContact CG1-CE3 4.06Å; V218-W308 HydrophobicContact CG1-CZ3 3.73Å; V218-W308 HydrophobicContact CG2-CE3 3.87Å; V218-W308 HydrophobicContact CG2-CZ3 4.12Å; L229-W308 HydrophobicContact CD1-CB 3.94Å; L229-W308 HydrophobicContact CD2-CB 4.33Å; N304-W308 VanDerWaalsContact O-CD1 3.28Å; N304-W308 PolarHBondContact O-N 3.48Å; I305-W308 PolarHBondContact O-N 3.13Å; L306-W308 VanDerWaalsContact C-N 3.33Å; L306-W308 PolarHBondContact O-N 3.41Å; W308-Q310 VanDerWaalsContact C-N 3.35Å; W308-Q310 PolarHBondContact O-N 3.47Å; W308-A311 HydrophobicContact CE3-CB 4.23Å; W308-A311 PolarHBondContact O-N 2.88Å; W308-V312 WeakPolarHBondContact O-CG2 3.23Å; W308-V312 PolarHBondContact O-N 3.14Å
309	S	94.3	Very high	95.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.4	-47.9	170.1	161.5	0	0	0	0	111.6	L229 I305 L306 A311 V312 N313	L229-S309 WeakPolarHBondContact O-CA 3.45Å; L229-S309 WeakPolarHBondContact O-CB 3.44Å; L229-S309 PolarHBondContact O-OG 3.39Å; I305-S309 PolarHBondContact O-N 3.38Å; L306-S309 VanDerWaalsContact O-CB 3.31Å; L306-S309 WeakPolarHBondContact O-CB 3.23Å; L306-S309 PolarHBondContact O-N 3.41Å; S309-A311 VanDerWaalsContact C-N 3.3Å; S309-A311 PolarHBondContact O-N 3.33Å; S309-V312 PolarHBondContact O-N 3.03Å; S309-N313 PolarHBondContact O-N 2.94Å; S309-N313 PolarHBondContact O-ND2 2.83Å; S309-N313 PolarHBondContact OG-ND2 2.86Å
310	Q	94.8	Very high	95.3	Very high	16 Å²	16	17.6 Å²	17.6	8%	0.075	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-40.2	177.6	-69.4	171.8	2.3	0	0	111.9	L306 H307 W308 N313 S314 F320 D321	L306-Q310 WeakPolarHBondContact O-CG 3.39Å; L306-Q310 PolarHBondContact O-N 2.91Å; H307-Q310 PolarHBondContact O-N 3.1Å; W308-Q310 VanDerWaalsContact C-N 3.35Å; W308-Q310 PolarHBondContact O-N 3.47Å; Q310-N313 PolarHBondContact O-N 3.34Å; Q310-S314 WeakPolarHBondContact O-CB 3.46Å; Q310-S314 PolarHBondContact O-N 2.9Å; Q310-S314 PolarHBondContact O-OG 3.08Å; Q310-F320 VanDerWaalsContact NE2-CE2 3.34Å; Q310-D321 PolarHBondContact NE2-O 3.41Å
311	A	93.8	Very high	95.3	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-66.8	-37.5	177.3	0	0	0	0	0	113.1	V218 H307 W308 S309 G315	V218-A311 HydrophobicContact CG2-CB 3.94Å; H307-A311 PolarHBondContact O-N 3.25Å; W308-A311 HydrophobicContact CE3-CB 4.23Å; W308-A311 PolarHBondContact O-N 2.88Å; S309-A311 VanDerWaalsContact C-N 3.3Å; S309-A311 PolarHBondContact O-N 3.33Å; A311-G315 WeakPolarHBondContact O-CA 3.33Å; A311-G315 PolarHBondContact O-N 2.88Å
312	V	91.7	Very high	95.1	Very high	15 Å²	15	21.5 Å²	21.5	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-45	172.9	174.9	0	0	0	0	110.2	V218 L229 L230 W308 S309	V218-V312 HydrophobicContact CB-CG2 4.19Å; V218-V312 HydrophobicContact CG2-CB 4.33Å; V218-V312 HydrophobicContact CG2-CG2 3.45Å; V218-V312 VanDerWaalsContact CG2-CG2 3.45Å; L229-V312 HydrophobicContact CB-CG2 4.1Å; L229-V312 HydrophobicContact CD1-CG2 3.89Å; L230-V312 HydrophobicContact CD2-CG1 3.49Å; L230-V312 VanDerWaalsContact CD2-CG1 3.49Å; L230-V312 HydrophobicContact CG-CG1 4.2Å; W308-V312 WeakPolarHBondContact O-CG2 3.23Å; W308-V312 PolarHBondContact O-N 3.14Å; S309-V312 PolarHBondContact O-N 3.03Å
313	N	91	Very high	94.9	Very high	98 Å²	98	24.6 Å²	24.6	52%	0.524	14%	0.144	S	C	.	.	H	α-helix	trans	-71.2	-41.3	-176.8	-74.1	-56.5	0	0	0	113.3	S309 Q310	S309-N313 PolarHBondContact O-N 2.94Å; S309-N313 PolarHBondContact O-ND2 2.83Å; S309-N313 PolarHBondContact OG-ND2 2.86Å; Q310-N313 PolarHBondContact O-N 3.34Å
314	S	92.2	Very high	94.7	Very high	33 Å²	33	25.8 Å²	25.8	23%	0.231	16%	0.155	C	C	.	.	H	α-helix	trans	-78.6	-34.6	178.9	67.4	0	0	0	0	112.3	Q310 E316	Q310-S314 WeakPolarHBondContact O-CB 3.46Å; Q310-S314 PolarHBondContact O-N 2.9Å; Q310-S314 PolarHBondContact O-OG 3.08Å; S314-E316 PolarHBondContact OG-N 3.03Å; S314-E316 PolarHBondContact OG-O 2.94Å
315	G	92.3	Very high	94.4	Very high	17 Å²	17	32.1 Å²	32.1	18%	0.175	18%	0.184	C	C	.	.			trans	66.6	24.9	-166.7	0	0	0	0	0	113.4	T217 A311	T217-G315 WeakPolarHBondContact CG2-O 3.47Å; A311-G315 WeakPolarHBondContact O-CA 3.33Å; A311-G315 PolarHBondContact O-N 2.88Å
316	E	93.6	Very high	94.3	Very high	66 Å²	66	36 Å²	36	31%	0.308	21%	0.209	S	C	.	.	S	Bend	trans	-127.1	142	-178.6	-60.7	-172.5	133.2	0	0	111.2	S314 R318 R339	S314-E316 PolarHBondContact OG-N 3.03Å; S314-E316 PolarHBondContact OG-O 2.94Å; E316-R318 PolarHBondContact O-N 3.13Å; E316-R318 IonicContact OE2-NH1 3.12Å; E316-R339 IonicContact OE1-NH1 3.78Å
317	L	96.4	Very high	94.1	Very high	6 Å²	6	41 Å²	41	3%	0.031	23%	0.23	C	C	.	.			trans	-78.1	102.9	164.1	-173.3	60.5	0	0	0	108.6	T190 F193 I194 A216 R339 Y340 V342	T190-L317 HydrophobicContact CG2-CD1 3.62Å; F193-L317 HydrophobicContact CB-CD2 4.43Å; I194-L317 HydrophobicContact CD1-CD1 4.21Å; I194-L317 HydrophobicContact CG1-CD1 4.3Å; I194-L317 HydrophobicContact CG1-CD2 4.29Å; A216-L317 HydrophobicContact CB-CD2 4.11Å; A216-L317 VanDerWaalsContact O-CB 3.31Å; A216-L317 WeakPolarHBondContact O-CB 3.41Å; A216-L317 WeakPolarHBondContact O-CD1 3.35Å; L317-R339 WeakPolarHBondContact O-CG 3.39Å; L317-Y340 HydrophobicContact CD1-CD2 4.42Å; L317-Y340 HydrophobicContact CG-CD2 4.03Å; L317-Y340 PolarHBondContact O-N 3.04Å; L317-V342 HydrophobicContact CD2-CG2 3.92Å
318	R	95.9	Very high	93.9	Very high	57 Å²	57	41.3 Å²	41.3	22%	0.215	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-141.4	167.1	-179.4	65.4	-176.2	-166.5	-179.4	9.6	110.6	H307 E316 I338	H307-R318 PolarHBondContact CE1-O 3.2Å; H307-R318 PolarHBondContact NE2-O 3.36Å; E316-R318 PolarHBondContact O-N 3.13Å; E316-R318 IonicContact OE2-NH1 3.12Å; R318-I338 CarbonylContact C-O 3.56Å; R318-I338 VanDerWaalsContact CA-O 3.23Å; R318-I338 WeakPolarHBondContact CA-O 3.43Å; R318-I338 WeakPolarHBondContact CB-O 3.39Å
319	A	96.8	Very high	93.7	Very high	5 Å²	5	44.8 Å²	44.8	4%	0.041	25%	0.25	C	S	.	.			trans	-64.8	164.2	173.5	0	0	0	0	0	111.6	D157 H307 D321 P337 I338 Y340	D157-A319 VanDerWaalsContact OD2-CA 3.3Å; D157-A319 WeakPolarHBondContact OD2-CA 3.39Å; H307-A319 VanDerWaalsContact NE2-C 3.26Å; A319-D321 PolarHBondContact O-N 3.49Å; A319-P337 HydrophobicContact CB-CB 4.41Å; A319-P337 WeakPolarHBondContact O-CB 3.41Å; A319-I338 PolarHBondContact N-O 2.96Å; A319-Y340 HydrophobicContact CB-CE2 4.17Å; A319-Y340 WeakPolarHBondContact CB-OH 3.48Å; A319-Y340 VanDerWaalsContact N-CE2 3.33Å
320	F	96.9	Very high	93.5	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.035	28%	0.281	C	S	.	.			trans	-65.7	132.4	-179.1	-175.9	-112.5	0	0	0	111	D157 Q303 L306 H307 Q310 W322	D157-F320 PolarHBondContact OD2-N 3Å; Q303-F320 HydrophobicContact CG-CD1 4.24Å; Q303-F320 HydrophobicContact CG-CE1 3.8Å; Q303-F320 HydrophobicContact CG-CE2 4.09Å; Q303-F320 HydrophobicContact CG-CZ 3.72Å; L306-F320 HydrophobicContact CB-CE2 3.93Å; L306-F320 HydrophobicContact CB-CZ 4.32Å; H307-F320 HydrophobicContact CB-CD2 3.54Å; H307-F320 HydrophobicContact CB-CE2 4.1Å; H307-F320 AromaticContact CD2-CD2 3.9Å; H307-F320 PolarHBondContact CE1-N 2.99Å; H307-F320 AromaticContact CG-CD2 3.61Å; H307-F320 WeakPolarHBondContact NE2-CA 3.44Å; H307-F320 PolarHBondContact NE2-N 2.95Å; Q310-F320 VanDerWaalsContact NE2-CE2 3.34Å; F320-W322 AromaticContact CD1-CD2 3.79Å; F320-W322 HydrophobicContact CD1-CD2 3.79Å; F320-W322 AromaticContact CD1-CE2 3.77Å; F320-W322 HydrophobicContact CD1-CE3 4.28Å; F320-W322 HydrophobicContact CD1-CG 4.02Å; F320-W322 HydrophobicContact CD1-CZ2 4.25Å; F320-W322 AromaticContact CD1-NE1 3.91Å; F320-W322 HydrophobicContact CE1-CD2 4.06Å; F320-W322 HydrophobicContact CE1-CE3 4.15Å; F320-W322 HydrophobicContact CE1-CG 4.36Å
321	D	96.3	Very high	93.1	Very high	45 Å²	45	55.8 Å²	55.8	24%	0.241	30%	0.3	C	S	.	.			trans	-84.9	115.1	169.9	-165.2	-15	0	0	0	110.2	Q310 A319 G323 N328 P337	Q310-D321 PolarHBondContact NE2-O 3.41Å; A319-D321 PolarHBondContact O-N 3.49Å; D321-G323 PolarHBondContact O-N 3.39Å; D321-G323 PolarHBondContact OD1-N 3.19Å; D321-N328 PolarHBondContact OD1-ND2 3.01Å; D321-P337 HydrophobicContact CB-CG 3.54Å
322	W	94.3	Very high	92.6	Very high	39 Å²	39	57.6 Å²	57.6	15%	0.148	31%	0.312	C	S	.	.			trans	-78	0.7	179.8	-64.3	83.2	0	0	0	113.2	F320 K327 N328 K331	F320-W322 AromaticContact CD1-CD2 3.79Å; F320-W322 HydrophobicContact CD1-CD2 3.79Å; F320-W322 AromaticContact CD1-CE2 3.77Å; F320-W322 HydrophobicContact CD1-CE3 4.28Å; F320-W322 HydrophobicContact CD1-CG 4.02Å; F320-W322 HydrophobicContact CD1-CZ2 4.25Å; F320-W322 AromaticContact CD1-NE1 3.91Å; F320-W322 HydrophobicContact CE1-CD2 4.06Å; F320-W322 HydrophobicContact CE1-CE3 4.15Å; F320-W322 HydrophobicContact CE1-CG 4.36Å; W322-K327 HydrophobicContact CB-CB 3.57Å; W322-K327 HydrophobicContact CB-CD 4.45Å; W322-K327 WeakPolarHBondContact O-CD 3.47Å; W322-N328 WeakPolarHBondContact CB-OD1 3.31Å; W322-N328 VanDerWaalsContact CD1-OD1 3.3Å; W322-N328 PolarHBondContact N-OD1 3.1Å; W322-K331 HydrophobicContact CD2-CB 4.19Å; W322-K331 HydrophobicContact CD2-CD 4.35Å; W322-K331 HydrophobicContact CD2-CG 3.66Å; W322-K331 HydrophobicContact CE3-CD 4.45Å; W322-K331 HydrophobicContact CE3-CG 4.11Å; W322-K331 HydrophobicContact CG-CB 4.31Å; W322-K331 HydrophobicContact CG-CG 4.06Å; W322-K331 HydrophobicContact CH2-CD 3.93Å; W322-K331 HydrophobicContact CH2-CG 4.29Å; W322-K331 HydrophobicContact CZ2-CB 4.14Å; W322-K331 HydrophobicContact CZ2-CD 3.8Å; W322-K331 HydrophobicContact CZ2-CG 3.87Å; W322-K331 HydrophobicContact CZ3-CD 4.26Å; W322-K331 HydrophobicContact CZ3-CG 4.41Å
323	G	92.1	Very high	92.4	Very high	67 Å²	67	63.2 Å²	63.2	69%	0.691	34%	0.342	S	S	*	.	S	Bend	trans	90.3	2.1	170.9	0	0	0	0	0	114.8	D321	D321-G323 PolarHBondContact O-N 3.39Å; D321-G323 PolarHBondContact OD1-N 3.19Å
324	S	92.9	Very high	92.1	Very high	48 Å²	48	63 Å²	63	34%	0.336	34%	0.337	S	S	.	.	S	Bend	trans	-158.2	153.5	168	70.6	0	0	0	0	111.6	T326 K327 N328	S324-T326 VanDerWaalsContact C-N 3.27Å; S324-T326 PolarHBondContact O-N 3.03Å; S324-K327 PolarHBondContact O-N 3.19Å; S324-K327 VanDerWaalsContact O-N 3.15Å; S324-K327 WeakPolarHBondContact OG-CG 3.13Å; S324-K327 PolarHBondContact OG-N 3.37Å; S324-N328 PolarHBondContact O-N 3.2Å; S324-N328 PolarHBondContact O-ND2 3.19Å
325	E	92.8	Very high	92	Very high	132 Å²	132	63.7 Å²	63.7	62%	0.617	34%	0.341	S	S	*	.	H	α-helix	trans	-56.2	-41.5	177	-65.3	-177.9	178.2	0	0	112.4	K327 N328 L329 P335	E325-K327 PolarHBondContact O-N 2.86Å; E325-N328 PolarHBondContact O-N 3.14Å; E325-L329 WeakPolarHBondContact O-CB 3.34Å; E325-L329 WeakPolarHBondContact O-CG 3.02Å; E325-L329 PolarHBondContact O-N 3.35Å; E325-P335 WeakPolarHBondContact CA-O 3.29Å; E325-P335 HydrophobicContact CB-CB 4.31Å; E325-P335 HydrophobicContact CG-CB 4.4Å
326	T	93.8	Very high	92	Very high	90 Å²	90	66.9 Å²	66.9	55%	0.552	36%	0.358	S	S	*	.	H	α-helix	trans	-59.5	-45.4	177.6	-47.7	0	0	0	0	111.7	S324 L329 E330	S324-T326 VanDerWaalsContact C-N 3.27Å; S324-T326 PolarHBondContact O-N 3.03Å; T326-L329 PolarHBondContact O-N 3.38Å; T326-E330 WeakPolarHBondContact O-CG 2.98Å; T326-E330 PolarHBondContact O-N 3.29Å
327	K	91.6	Very high	91.9	Very high	109 Å²	109	64.8 Å²	64.8	47%	0.474	35%	0.35	S	S	.	.	H	α-helix	trans	-71.1	-36.6	179.5	-71.3	-179.7	176.3	-178.1	0	112.2	W322 S324 E325 L329 E330 K331	W322-K327 HydrophobicContact CB-CB 3.57Å; W322-K327 HydrophobicContact CB-CD 4.45Å; W322-K327 WeakPolarHBondContact O-CD 3.47Å; S324-K327 PolarHBondContact O-N 3.19Å; S324-K327 VanDerWaalsContact O-N 3.15Å; S324-K327 WeakPolarHBondContact OG-CG 3.13Å; S324-K327 PolarHBondContact OG-N 3.37Å; E325-K327 PolarHBondContact O-N 2.86Å; K327-L329 VanDerWaalsContact C-N 3.32Å; K327-E330 PolarHBondContact O-N 2.02Å; K327-K331 WeakPolarHBondContact O-CB 3.5Å; K327-K331 VanDerWaalsContact O-CG 3.3Å; K327-K331 WeakPolarHBondContact O-CG 3.35Å; K327-K331 PolarHBondContact O-N 2.85Å
328	N	93	Very high	91.8	Very high	6 Å²	6	68.6 Å²	68.6	3%	0.032	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-40.6	174	-70.7	-28.8	0	0	0	110.7	D321 W322 S324 E325 K331 C332 Q334 P335	D321-N328 PolarHBondContact OD1-ND2 3.01Å; W322-N328 WeakPolarHBondContact CB-OD1 3.31Å; W322-N328 VanDerWaalsContact CD1-OD1 3.3Å; W322-N328 PolarHBondContact N-OD1 3.1Å; S324-N328 PolarHBondContact O-N 3.2Å; S324-N328 PolarHBondContact O-ND2 3.19Å; E325-N328 PolarHBondContact O-N 3.14Å; N328-K331 PolarHBondContact O-N 3.02Å; N328-C332 WeakPolarHBondContact O-CA 3.5Å; N328-C332 WeakPolarHBondContact O-CB 3.38Å; N328-C332 PolarHBondContact O-N 3.29Å; N328-Q334 CarbonylContact C-O 3.51Å; N328-Q334 VanDerWaalsContact CB-O 3.23Å; N328-Q334 WeakPolarHBondContact CB-O 3.22Å; N328-Q334 VanDerWaalsContact O-O 3.12Å; N328-P335 WeakPolarHBondContact CB-O 3.42Å; N328-P335 PolarHBondContact ND2-O 3.27Å
329	L	91	Very high	91.8	Very high	81 Å²	81	71.6 Å²	71.6	42%	0.424	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-46.2	173.9	-76.7	166.9	0	0	0	111.8	E325 T326 K327 K331 N333 Q334 P335	E325-L329 WeakPolarHBondContact O-CB 3.34Å; E325-L329 WeakPolarHBondContact O-CG 3.02Å; E325-L329 PolarHBondContact O-N 3.35Å; T326-L329 PolarHBondContact O-N 3.38Å; K327-L329 VanDerWaalsContact C-N 3.32Å; L329-K331 VanDerWaalsContact C-N 3.27Å; L329-K331 PolarHBondContact O-N 2.65Å; L329-N333 VanDerWaalsContact O-CA 3.23Å; L329-N333 WeakPolarHBondContact O-CA 3.25Å; L329-N333 PolarHBondContact O-N 3.41Å; L329-N333 PolarHBondContact O-OD1 3.33Å; L329-Q334 PolarHBondContact N-O 3.02Å; L329-Q334 VanDerWaalsContact N-O 3.15Å; L329-P335 HydrophobicContact CD2-CB 4.43Å; L329-P335 HydrophobicContact CG-CB 4.33Å
330	E	89.6	Confident	91.8	Very high	138 Å²	138	73 Å²	73	65%	0.645	39%	0.385	S	S	*	.	H	α-helix	trans	-60	-35.4	178.2	-75	170.6	-173.8	0	0	113.1	T326 K327	T326-E330 WeakPolarHBondContact O-CG 2.98Å; T326-E330 PolarHBondContact O-N 3.29Å; K327-E330 PolarHBondContact O-N 2.02Å
331	K	87.4	Confident	91.8	Very high	110 Å²	110	78.7 Å²	78.7	48%	0.478	41%	0.41	S	S	.	.	H	α-helix	trans	-95.1	-37.9	-173	-67.1	-71.9	-172.7	178.7	0	113.7	W322 K327 N328 L329	W322-K331 HydrophobicContact CD2-CB 4.19Å; W322-K331 HydrophobicContact CD2-CD 4.35Å; W322-K331 HydrophobicContact CD2-CG 3.66Å; W322-K331 HydrophobicContact CE3-CD 4.45Å; W322-K331 HydrophobicContact CE3-CG 4.11Å; W322-K331 HydrophobicContact CG-CB 4.31Å; W322-K331 HydrophobicContact CG-CG 4.06Å; W322-K331 HydrophobicContact CH2-CD 3.93Å; W322-K331 HydrophobicContact CH2-CG 4.29Å; W322-K331 HydrophobicContact CZ2-CB 4.14Å; W322-K331 HydrophobicContact CZ2-CD 3.8Å; W322-K331 HydrophobicContact CZ2-CG 3.87Å; W322-K331 HydrophobicContact CZ3-CD 4.26Å; W322-K331 HydrophobicContact CZ3-CG 4.41Å; K327-K331 WeakPolarHBondContact O-CB 3.5Å; K327-K331 VanDerWaalsContact O-CG 3.3Å; K327-K331 WeakPolarHBondContact O-CG 3.35Å; K327-K331 PolarHBondContact O-N 2.85Å; N328-K331 PolarHBondContact O-N 3.02Å; L329-K331 VanDerWaalsContact C-N 3.27Å; L329-K331 PolarHBondContact O-N 2.65Å
332	C	82.7	Confident	91.8	Very high	39 Å²	39	76.6 Å²	76.6	26%	0.264	40%	0.398	S	S	.	.	H	α-helix	trans	-125	0.4	-168.6	-60.4	0	0	0	0	113.3	N328 Q334	N328-C332 WeakPolarHBondContact O-CA 3.5Å; N328-C332 WeakPolarHBondContact O-CB 3.38Å; N328-C332 PolarHBondContact O-N 3.29Å; C332-Q334 PolarHBondContact O-N 2.93Å; C332-Q334 VanDerWaalsContact O-N 3.13Å
333	N	87.1	Confident	92	Very high	134 Å²	134	83.5 Å²	83.5	72%	0.717	42%	0.424	S	S	*	.	S	Bend	trans	54	25.7	-173.7	-62.6	-36.9	0	0	0	113.7	L329	L329-N333 VanDerWaalsContact O-CA 3.23Å; L329-N333 WeakPolarHBondContact O-CA 3.25Å; L329-N333 PolarHBondContact O-N 3.41Å; L329-N333 PolarHBondContact O-OD1 3.33Å
334	Q	86.6	Confident	92.2	Very high	92 Å²	92	84.6 Å²	84.6	43%	0.43	41%	0.414	S	S	.	.	S	Bend	trans	-138	141.3	176.9	-68.4	-63.5	-44.9	0	0	109.3	N328 L329 C332 T336 I338	N328-Q334 CarbonylContact C-O 3.51Å; N328-Q334 VanDerWaalsContact CB-O 3.23Å; N328-Q334 WeakPolarHBondContact CB-O 3.22Å; N328-Q334 VanDerWaalsContact O-O 3.12Å; L329-Q334 PolarHBondContact N-O 3.02Å; L329-Q334 VanDerWaalsContact N-O 3.15Å; C332-Q334 PolarHBondContact O-N 2.93Å; C332-Q334 VanDerWaalsContact O-N 3.13Å; Q334-T336 VanDerWaalsContact C-N 3.28Å; Q334-T336 PolarHBondContact O-N 2.93Å; Q334-I338 HydrophobicContact CB-CD1 4.45Å; Q334-I338 HydrophobicContact CB-CG1 4.2Å; Q334-I338 HydrophobicContact CG-CD1 3.69Å; Q334-I338 HydrophobicContact CG-CG1 3.84Å
335	P	89.6	Confident	92.5	Very high	48 Å²	48	82.3 Å²	82.3	31%	0.312	40%	0.398	S	S	.	.	S	Bend	trans	-72.4	-23.9	-178.4	30.1	-34.9	0	0	0	112.8	E325 N328 L329	E325-P335 WeakPolarHBondContact CA-O 3.29Å; E325-P335 HydrophobicContact CB-CB 4.31Å; E325-P335 HydrophobicContact CG-CB 4.4Å; N328-P335 WeakPolarHBondContact CB-O 3.42Å; N328-P335 PolarHBondContact ND2-O 3.27Å; L329-P335 HydrophobicContact CD2-CB 4.43Å; L329-P335 HydrophobicContact CG-CB 4.33Å
336	T	91.3	Very high	92.6	Very high	85 Å²	85	80.1 Å²	80.1	52%	0.521	39%	0.394	S	S	.	.	S	Bend	trans	-124.3	152.9	178.4	56	0	0	0	0	111	Q334 I338	Q334-T336 VanDerWaalsContact C-N 3.28Å; Q334-T336 PolarHBondContact O-N 2.93Å; T336-I338 PolarHBondContact O-N 3.25Å
337	P	92.4	Very high	92.8	Very high	22 Å²	22	76 Å²	76	14%	0.143	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-64.9	130.9	179.6	-15	27.1	0	0	0	111.8	A319 D321	A319-P337 HydrophobicContact CB-CB 4.41Å; A319-P337 WeakPolarHBondContact O-CB 3.41Å; D321-P337 HydrophobicContact CB-CG 3.54Å
338	I	93.8	Very high	93.1	Very high	85 Å²	85	72.6 Å²	72.6	44%	0.436	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-74.3	130.2	-176.2	-55.8	172.8	0	0	0	109.6	R318 A319 Q334 T336	R318-I338 CarbonylContact C-O 3.56Å; R318-I338 VanDerWaalsContact CA-O 3.23Å; R318-I338 WeakPolarHBondContact CA-O 3.43Å; R318-I338 WeakPolarHBondContact CB-O 3.39Å; A319-I338 PolarHBondContact N-O 2.96Å; Q334-I338 HydrophobicContact CB-CD1 4.45Å; Q334-I338 HydrophobicContact CB-CG1 4.2Å; Q334-I338 HydrophobicContact CG-CD1 3.69Å; Q334-I338 HydrophobicContact CG-CG1 3.84Å; T336-I338 PolarHBondContact O-N 3.25Å
339	R	95.8	Very high	93.4	Very high	121 Å²	121	72.3 Å²	72.3	46%	0.457	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-72.4	128.9	170.1	-177.1	175.7	170.7	175.4	-4.4	110.6	E316 L317 E371	E316-R339 IonicContact OE1-NH1 3.78Å; L317-R339 WeakPolarHBondContact O-CG 3.39Å; R339-E371 IonicContact NH2-OE1 3.81Å; R339-E371 PolarHBondContact NH2-OE1 3.28Å
340	Y	97.1	Very high	93.8	Very high	34 Å²	34	68.5 Å²	68.5	13%	0.133	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-81.6	131.5	171.8	-58.5	-62.7	0	0	0	110.1	D157 I194 T198 L317 A319	D157-Y340 WeakPolarHBondContact OD1-CE2 3.29Å; D157-Y340 VanDerWaalsContact OD1-CZ 3.3Å; D157-Y340 PolarHBondContact OD1-OH 2.91Å; I194-Y340 HydrophobicContact CD1-CD2 3.94Å; I194-Y340 HydrophobicContact CD1-CE2 3.78Å; I194-Y340 HydrophobicContact CG1-CD2 3.7Å; I194-Y340 HydrophobicContact CG1-CE2 3.96Å; I194-Y340 HydrophobicContact CG1-CG 4Å; I194-Y340 HydrophobicContact CG2-CD1 3.99Å; I194-Y340 HydrophobicContact CG2-CD2 4.36Å; I194-Y340 HydrophobicContact CG2-CE1 3.75Å; I194-Y340 HydrophobicContact CG2-CE2 4.11Å; I194-Y340 HydrophobicContact CG2-CG 4.28Å; T198-Y340 HydrophobicContact CG2-CD1 3.7Å; T198-Y340 HydrophobicContact CG2-CE1 4.09Å; L317-Y340 HydrophobicContact CD1-CD2 4.42Å; L317-Y340 HydrophobicContact CG-CD2 4.03Å; L317-Y340 PolarHBondContact O-N 3.04Å; A319-Y340 HydrophobicContact CB-CE2 4.17Å; A319-Y340 WeakPolarHBondContact CB-OH 3.48Å; A319-Y340 VanDerWaalsContact N-CE2 3.33Å
341	K	96.9	Very high	94.2	Very high	127 Å²	127	61.9 Å²	61.9	55%	0.552	31%	0.306	S	S	*	.			trans	-102.9	99	-176.8	-66.6	175.5	-176.6	173.9	0	109.2	S197 R343 D344	S197-K341 VanDerWaalsContact CB-O 3.28Å; S197-K341 WeakPolarHBondContact CB-O 3.23Å; K341-R343 PolarHBondContact O-N 3.01Å; K341-D344 HydrophobicContact CB-CB 4.44Å; K341-D344 WeakPolarHBondContact CB-OD2 3.33Å; K341-D344 WeakPolarHBondContact CD-OD2 3.46Å; K341-D344 WeakPolarHBondContact O-CB 3.01Å; K341-D344 PolarHBondContact O-N 3.44Å
342	V	97.2	Very high	94.7	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-55.7	-30	177	180	0	0	0	0	111.6	F193 A216 L317 D344 M345 L368 E371 V372	F193-V342 HydrophobicContact CB-CG2 4.31Å; F193-V342 HydrophobicContact CD1-CG1 3.78Å; F193-V342 HydrophobicContact CE1-CG1 4.19Å; F193-V342 HydrophobicContact CG-CG1 4.44Å; F193-V342 HydrophobicContact CG-CG2 4.48Å; A216-V342 HydrophobicContact CB-CG2 4.27Å; L317-V342 HydrophobicContact CD2-CG2 3.92Å; V342-D344 PolarHBondContact O-N 2.91Å; V342-D344 VanDerWaalsContact O-N 3.16Å; V342-M345 WeakPolarHBondContact O-CB 3.18Å; V342-M345 PolarHBondContact O-N 3.24Å; V342-L368 HydrophobicContact CB-CD1 4.34Å; V342-L368 HydrophobicContact CG1-CD1 3.84Å; V342-L368 HydrophobicContact CG2-CD1 4.05Å; V342-E371 HydrophobicContact CB-CB 4.03Å; V342-E371 HydrophobicContact CG1-CB 4.42Å; V342-V372 HydrophobicContact CG1-CG2 3.72Å
343	R	97.3	Very high	95.5	Very high	184 Å²	184	54.9 Å²	54.9	69%	0.694	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-57.3	-27.8	176	-163.2	172.5	-170.7	164.6	4.3	114.9	K341 M345 E371 S373	K341-R343 PolarHBondContact O-N 3.01Å; R343-M345 PolarHBondContact O-N 3.27Å; R343-E371 WeakPolarHBondContact CA-O 3.39Å; R343-E371 WeakPolarHBondContact CB-O 3.15Å; R343-E371 PolarHBondContact N-O 3.36Å; R343-S373 WeakPolarHBondContact O-CB 3.44Å; R343-S373 PolarHBondContact O-OG 3.42Å
344	D	97.4	Very high	96	Very high	90 Å²	90	48.5 Å²	48.5	48%	0.481	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-78.4	-11.4	-179.9	-60.4	-13.6	0	0	0	111.7	K341 V342 T346	K341-D344 HydrophobicContact CB-CB 4.44Å; K341-D344 WeakPolarHBondContact CB-OD2 3.33Å; K341-D344 WeakPolarHBondContact CD-OD2 3.46Å; K341-D344 WeakPolarHBondContact O-CB 3.01Å; K341-D344 PolarHBondContact O-N 3.44Å; V342-D344 PolarHBondContact O-N 2.91Å; V342-D344 VanDerWaalsContact O-N 3.16Å; D344-T346 PolarHBondContact O-N 3.25Å
345	M	97.5	Very high	96.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.			trans	-73.6	112.4	174	-177.1	-170.8	69.9	0	0	111.2	F193 F196 Y209 V342 R343 V347 T349 V372 S373	F193-M345 HydrophobicContact CD1-CE 4Å; F193-M345 HydrophobicContact CD1-SD 3.83Å; F193-M345 HydrophobicContact CE1-CE 3.99Å; F193-M345 HydrophobicContact CE1-SD 4.31Å; F196-M345 HydrophobicContact CB-CG 3.75Å; F196-M345 HydrophobicContact CB-SD 4.17Å; F196-M345 HydrophobicContact CD2-SD 4.46Å; Y209-M345 HydrophobicContact CD1-CE 4.26Å; Y209-M345 HydrophobicContact CD1-SD 3.69Å; Y209-M345 HydrophobicContact CE1-SD 3.91Å; V342-M345 WeakPolarHBondContact O-CB 3.18Å; V342-M345 PolarHBondContact O-N 3.24Å; R343-M345 PolarHBondContact O-N 3.27Å; M345-V347 HydrophobicContact CG-CB 4.24Å; M345-V347 HydrophobicContact CG-CG2 4.33Å; M345-T349 HydrophobicContact CE-CG2 4.26Å; M345-T349 WeakPolarHBondContact CE-OG1 3.31Å; M345-V372 HydrophobicContact CE-CG1 3.9Å; M345-S373 PolarHBondContact O-OG 2.86Å
346	T	95.3	Very high	96.7	Very high	86 Å²	86	47.8 Å²	47.8	53%	0.528	24%	0.235	S	C	.	.			trans	-91.8	-6.6	-178	56.2	0	0	0	0	114.6	D344 N374	D344-T346 PolarHBondContact O-N 3.25Å; T346-N374 PolarHBondContact O-ND2 2.86Å
347	V	98.2	Very high	97	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	21%	0.211	C	C	.	.	S	Bend	trans	-63.6	132.2	-176.1	-177.5	0	0	0	0	110.8	F196 A203 I206 M345 T349	F196-V347 HydrophobicContact CB-CG2 3.92Å; F196-V347 HydrophobicContact CD2-CG2 4.39Å; F196-V347 HydrophobicContact CG-CG2 4.2Å; A203-V347 HydrophobicContact CB-CG2 3.81Å; I206-V347 HydrophobicContact CB-CG1 3.91Å; I206-V347 HydrophobicContact CB-CG2 4.25Å; I206-V347 HydrophobicContact CG2-CG1 3.58Å; M345-V347 HydrophobicContact CG-CB 4.24Å; M345-V347 HydrophobicContact CG-CG2 4.33Å; V347-T349 PolarHBondContact O-N 3.49Å; V347-T349 VanDerWaalsContact O-N 3.13Å; V347-T349 PolarHBondContact O-OG1 2.99Å
348	P	98.4	Very high	97	Very high	39 Å²	39	45.9 Å²	45.9	25%	0.253	22%	0.216	S	C	.	.			trans	-56.3	119	171.9	-22.9	32.7	0	0	0	110.6	M208 Y209 I376	M208-P348 WeakPolarHBondContact CA-O 3.18Å; M208-P348 HydrophobicContact CG-CB 4.45Å; M208-P348 WeakPolarHBondContact CG-O 3.31Å; Y209-P348 PolarHBondContact N-O 3.37Å; P348-I376 HydrophobicContact CB-CD1 4.11Å; P348-I376 HydrophobicContact CB-CG2 4.09Å
349	T	98.7	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.7	-169.2	-57.6	0	0	0	0	111.7	Y209 M345 V347 M351 V372 N374 I376	Y209-T349 HydrophobicContact CD1-CG2 3.96Å; Y209-T349 HydrophobicContact CE1-CG2 4.49Å; Y209-T349 HydrophobicContact CG-CG2 4.29Å; Y209-T349 CarbonylContact O-C 3.55Å; Y209-T349 VanDerWaalsContact O-CA 3.29Å; Y209-T349 WeakPolarHBondContact O-CA 3.33Å; M345-T349 HydrophobicContact CE-CG2 4.26Å; M345-T349 WeakPolarHBondContact CE-OG1 3.31Å; V347-T349 PolarHBondContact O-N 3.49Å; V347-T349 VanDerWaalsContact O-N 3.13Å; V347-T349 PolarHBondContact O-OG1 2.99Å; T349-M351 HydrophobicContact CG2-CG 3.98Å; T349-V372 HydrophobicContact CG2-CG1 4.33Å; T349-N374 PolarHBondContact N-O 3.47Å; T349-I376 VanDerWaalsContact O-CG1 3.25Å; T349-I376 WeakPolarHBondContact O-CG1 3.44Å; T349-I376 PolarHBondContact O-N 3.09Å
350	A	98.7	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.4	172.5	0	0	0	0	0	109.4	Y209 F210 A211 W352 I376 Y377 L406	Y209-A350 PolarHBondContact O-N 3.31Å; F210-A350 CarbonylContact C-O 3.58Å; F210-A350 WeakPolarHBondContact CA-O 3.5Å; F210-A350 HydrophobicContact CD1-CB 3.94Å; F210-A350 HydrophobicContact CE1-CB 4.3Å; A211-A350 PolarHBondContact N-O 2.88Å; A350-W352 HydrophobicContact CB-CH2 3.74Å; A350-W352 HydrophobicContact CB-CZ3 3.58Å; A350-I376 HydrophobicContact CB-CG1 4.48Å; A350-Y377 CarbonylContact C-O 3.54Å; A350-Y377 WeakPolarHBondContact CA-O 3.18Å; A350-Y377 HydrophobicContact CB-CD1 4.36Å; A350-L406 HydrophobicContact CB-CD1 4.08Å
351	M	98.8	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.3	-173.7	-66	173.1	66.3	0	0	112	A211 P214 T349 L368 L369 V372 L375 Y377 H378 K379	A211-M351 HydrophobicContact CB-CG 4.17Å; A211-M351 WeakPolarHBondContact O-CA 3.38Å; P214-M351 HydrophobicContact CB-CE 3.81Å; P214-M351 HydrophobicContact CG-CE 3.38Å; T349-M351 HydrophobicContact CG2-CG 3.98Å; M351-L368 HydrophobicContact CE-CD2 3.78Å; M351-L368 HydrophobicContact CE-CG 3.92Å; M351-L369 HydrophobicContact CE-CD2 3.85Å; M351-L369 HydrophobicContact CE-CG 4.41Å; M351-L369 HydrophobicContact SD-CD2 3.8Å; M351-V372 HydrophobicContact SD-CG2 4.02Å; M351-L375 HydrophobicContact CB-CD1 4.28Å; M351-L375 HydrophobicContact CG-CD1 3.85Å; M351-L375 HydrophobicContact SD-CD1 3.58Å; M351-L375 VanDerWaalsContact SD-CD1 3.58Å; M351-Y377 PolarHBondContact N-O 3.48Å; M351-H378 VanDerWaalsContact O-CA 3.31Å; M351-H378 WeakPolarHBondContact O-CA 3.48Å; M351-K379 PolarHBondContact O-N 2.87Å
352	W	98.8	Very high	96.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.3	167	-65.9	-105.6	0	0	0	110.2	F210 A211 L212 A213 P214 A350 Y377 K379 F389 V399 E402 I403 L406	F210-W352 HydrophobicContact CB-CZ3 4.19Å; F210-W352 AromaticContact CD1-CH2 3.74Å; F210-W352 HydrophobicContact CD1-CH2 3.74Å; F210-W352 AromaticContact CD1-CZ3 3.73Å; F210-W352 HydrophobicContact CD1-CZ3 3.73Å; F210-W352 HydrophobicContact CE1-CH2 4.34Å; F210-W352 HydrophobicContact CG-CZ3 4.47Å; A211-W352 PolarHBondContact O-N 3.19Å; L212-W352 HydrophobicContact CD2-CB 4.16Å; L212-W352 HydrophobicContact CD2-CD2 4.12Å; L212-W352 HydrophobicContact CD2-CE3 3.64Å; L212-W352 HydrophobicContact CD2-CG 4.38Å; L212-W352 HydrophobicContact CD2-CZ3 4.39Å; A213-W352 PolarHBondContact N-O 3.18Å; P214-W352 VanDerWaalsContact CD-O 3.29Å; P214-W352 WeakPolarHBondContact CD-O 3.49Å; A350-W352 HydrophobicContact CB-CH2 3.74Å; A350-W352 HydrophobicContact CB-CZ3 3.58Å; W352-Y377 HydrophobicContact CD2-CE1 4.37Å; W352-Y377 AromaticContact CE2-CE1 3.58Å; W352-Y377 HydrophobicContact CH2-CD1 4.09Å; W352-Y377 HydrophobicContact CH2-CE1 4.32Å; W352-Y377 AromaticContact CZ2-CD1 3.8Å; W352-Y377 HydrophobicContact CZ2-CD1 3.8Å; W352-Y377 AromaticContact CZ2-CE1 3.56Å; W352-Y377 HydrophobicContact CZ2-CE1 3.56Å; W352-Y377 AromaticContact NE1-CE1 3.66Å; W352-K379 WeakPolarHBondContact CA-O 3.36Å; W352-K379 HydrophobicContact CG-CB 4.45Å; W352-F389 HydrophobicContact CB-CD1 4.3Å; W352-F389 HydrophobicContact CB-CE1 3.64Å; W352-F389 WeakPolarHBondContact O-CE1 3.48Å; W352-V399 HydrophobicContact CB-CG2 4.42Å; W352-V399 HydrophobicContact CD2-CG1 4.12Å; W352-V399 HydrophobicContact CG-CG1 4.08Å; W352-V399 HydrophobicContact CG-CG2 4.03Å; W352-E402 HydrophobicContact CZ2-CB 3.99Å; W352-E402 PolarHBondContact NE1-OE2 3.49Å; W352-I403 HydrophobicContact CH2-CG1 3.7Å; W352-I403 HydrophobicContact CZ2-CG1 4.04Å; W352-I403 HydrophobicContact CZ3-CG1 4.06Å; W352-L406 HydrophobicContact CH2-CD1 3.67Å; W352-L406 HydrophobicContact CZ2-CD1 4.01Å
353	T	98.5	Very high	96.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.7	-171.8	57.5	0	0	0	0	110.6	P214 V365 H378 K379 N380 I381	P214-T353 HydrophobicContact CG-CG2 3.74Å; T353-V365 HydrophobicContact CG2-CB 4.38Å; T353-V365 HydrophobicContact CG2-CG1 3.44Å; T353-V365 VanDerWaalsContact CG2-CG1 3.44Å; T353-V365 HydrophobicContact CG2-CG2 3.97Å; T353-H378 PolarHBondContact OG1-NE2 3.3Å; T353-K379 PolarHBondContact N-O 3.48Å; T353-N380 CarbonylContact O-C 3.39Å; T353-N380 WeakPolarHBondContact O-CA 3.39Å; T353-N380 PolarHBondContact O-ND2 3.48Å; T353-N380 PolarHBondContact OG1-ND2 2.9Å; T353-N380 VanDerWaalsContact OG1-ND2 3.16Å; T353-I381 PolarHBondContact O-N 3.4Å
354	G	97.8	Very high	96.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	139.1	179.6	0	0	0	0	0	111.7	I381 W384	G354-I381 WeakPolarHBondContact CA-O 3.35Å; G354-W384 CarbonylContact C-O 3.56Å; G354-W384 VanDerWaalsContact CA-O 3.31Å; G354-W384 WeakPolarHBondContact CA-O 3.36Å
355	G	96.3	Very high	96.5	Very high	22 Å²	22	23.4 Å²	23.4	23%	0.227	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-23.8	176.1	0	0	0	0	0	113.8	I381 P382 W384	G355-I381 PolarHBondContact N-O 2.83Å; G355-P382 CarbonylContact C-O 3.49Å; G355-P382 WeakPolarHBondContact CA-O 3.17Å; G355-W384 PolarHBondContact N-O 3.46Å
356	Q	95.3	Very high	96.4	Very high	102 Å²	102	31 Å²	31	48%	0.477	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	12.6	174.4	-56.9	-51.6	-45.6	0	0	112.7	W358 P382 W384	Q356-W358 PolarHBondContact O-N 3.04Å; Q356-P382 WeakPolarHBondContact CG-O 3.29Å; Q356-P382 PolarHBondContact N-O 3.38Å; Q356-P382 PolarHBondContact NE2-O 3.49Å; Q356-W384 CarbonylContact C-O 3.57Å; Q356-W384 WeakPolarHBondContact CA-O 3.37Å; Q356-W384 PolarHBondContact N-O 3.43Å
357	D	95.9	Very high	96.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.158	C	C	.	.			trans	-72.2	120.5	-179.9	-166.2	-35.5	0	0	0	110.8	A213 L359 S360 W384 H386	A213-D357 WeakPolarHBondContact CB-OD2 3.5Å; D357-L359 PolarHBondContact OD1-N 3.33Å; D357-S360 PolarHBondContact OD1-N 2.87Å; D357-S360 WeakPolarHBondContact OD2-CB 3.31Å; D357-W384 PolarHBondContact N-O 3.17Å; D357-H386 VanDerWaalsContact CG-ND1 3.26Å; D357-H386 WeakPolarHBondContact OD1-CB 3.29Å; D357-H386 IonicContact OD1-CG 3.47Å; D357-H386 IonicContact OD1-ND1 2.57Å; D357-H386 PolarHBondContact OD1-ND1 3.13Å; D357-H386 WeakPolarHBondContact OD2-CA 3.48Å; D357-H386 IonicContact OD2-CE1 3.73Å; D357-H386 IonicContact OD2-CG 2.71Å; D357-H386 IonicContact OD2-ND1 3.46Å; D357-H386 PolarHBondContact OD2-ND1 3.38Å
358	W	93.6	Very high	96.3	Very high	66 Å²	66	30.1 Å²	30.1	25%	0.25	16%	0.158	C	C	.	.	S	Bend	trans	-85.7	-18.2	-178.5	-67.9	2.3	0	0	0	113.5	A221 R222 G277 F279 Q356	A221-W358 CarbonylContact C-O 3.59Å; A221-W358 WeakPolarHBondContact CA-O 3.45Å; A221-W358 WeakPolarHBondContact CB-O 3.35Å; R222-W358 PolarHBondContact N-O 2.86Å; G277-W358 PolarHBondContact O-N 3.29Å; F279-W358 AromaticContact CD2-CH2 3.53Å; F279-W358 HydrophobicContact CD2-CH2 3.53Å; F279-W358 AromaticContact CD2-CZ2 3.92Å; F279-W358 HydrophobicContact CD2-CZ2 3.92Å; F279-W358 HydrophobicContact CD2-CZ3 4.21Å; F279-W358 AromaticContact CE2-CH2 3.57Å; F279-W358 HydrophobicContact CE2-CH2 3.57Å; F279-W358 HydrophobicContact CE2-CZ2 4.4Å; F279-W358 HydrophobicContact CE2-CZ3 4.05Å; Q356-W358 PolarHBondContact O-N 3.04Å
359	L	92.8	Very high	96.2	Very high	31 Å²	31	30.3 Å²	30.3	16%	0.162	16%	0.157	C	C	.	.	S	Bend	trans	-100.6	-56	-179.3	-71	178.2	0	0	0	111.2	I215 S223 T226 L276 D357 N361	I215-L359 HydrophobicContact CD1-CB 4.23Å; S223-L359 WeakPolarHBondContact OG-CD2 3.28Å; T226-L359 HydrophobicContact CG2-CD2 3.85Å; L276-L359 VanDerWaalsContact O-CD1 3.25Å; L276-L359 WeakPolarHBondContact O-CD1 3.18Å; L276-L359 VanDerWaalsContact O-CG 3.29Å; L276-L359 WeakPolarHBondContact O-CG 3.2Å; D357-L359 PolarHBondContact OD1-N 3.33Å; L359-N361 PolarHBondContact O-N 2.95Å
360	S	94.9	Very high	96	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	19%	0.188	C	C	.	.	S	Bend	trans	-80.2	62.5	168.7	-174.4	0	0	0	0	108.7	P214 D357 V365	P214-S360 WeakPolarHBondContact O-CB 3.39Å; P214-S360 PolarHBondContact O-OG 2.86Å; D357-S360 PolarHBondContact OD1-N 2.87Å; D357-S360 WeakPolarHBondContact OD2-CB 3.31Å; S360-V365 VanDerWaalsContact OG-CG2 3.29Å; S360-V365 WeakPolarHBondContact OG-CG2 3.33Å
361	N	95.2	Very high	95.9	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.027	20%	0.198	C	C	.	.			trans	-61.2	140.4	-171	-172.3	-86.5	0	0	0	111.1	Y220 L359 D363 D364 V365	Y220-N361 PolarHBondContact O-ND2 2.92Å; L359-N361 PolarHBondContact O-N 2.95Å; N361-D363 PolarHBondContact O-N 3.17Å; N361-D363 VanDerWaalsContact O-N 3.08Å; N361-D363 WeakPolarHBondContact OD1-CB 3.47Å; N361-D363 PolarHBondContact OD1-N 2.94Å; N361-D364 PolarHBondContact O-N 3.16Å; N361-V365 WeakPolarHBondContact O-CG2 3.3Å; N361-V365 PolarHBondContact O-N 3.36Å
362	P	95.3	Very high	95.8	Very high	50 Å²	50	37.3 Å²	37.3	33%	0.325	20%	0.2	S	C	.	.	H	α-helix	trans	-52.2	-32.5	178.9	-31.2	36.9	0	0	0	115.2	K366	P362-K366 WeakPolarHBondContact O-CB 3.48Å; P362-K366 PolarHBondContact O-N 3.24Å
363	D	95.2	Very high	95.6	Very high	72 Å²	72	40.5 Å²	40.5	39%	0.385	22%	0.223	S	C	.	.	H	α-helix	trans	-71.9	-40.7	178.1	-66.2	-39.1	0	0	0	112.1	Y220 R222 N361 T367	Y220-D363 HydrophobicContact CD1-CB 4.35Å; Y220-D363 HydrophobicContact CD2-CB 3.73Å; Y220-D363 HydrophobicContact CE2-CB 4.36Å; Y220-D363 HydrophobicContact CG-CB 3.71Å; R222-D363 IonicContact NH2-OD2 3.76Å; N361-D363 PolarHBondContact O-N 3.17Å; N361-D363 VanDerWaalsContact O-N 3.08Å; N361-D363 WeakPolarHBondContact OD1-CB 3.47Å; N361-D363 PolarHBondContact OD1-N 2.94Å; D363-T367 PolarHBondContact O-N 3.11Å; D363-T367 PolarHBondContact O-OG1 3Å
364	D	95	Very high	95.5	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.027	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-44.4	172	-75.4	-65.3	0	0	0	110.6	T217 K219 Y220 N361 K366 T367 L368	T217-D364 WeakPolarHBondContact CB-OD1 3.25Å; T217-D364 PolarHBondContact OG1-OD1 3.12Å; K219-D364 PolarHBondContact N-OD1 3.25Å; K219-D364 PolarHBondContact N-OD2 3.29Å; Y220-D364 WeakPolarHBondContact CA-OD2 3.43Å; Y220-D364 WeakPolarHBondContact CB-OD2 3.33Å; Y220-D364 PolarHBondContact N-OD2 3.46Å; N361-D364 PolarHBondContact O-N 3.16Å; D364-K366 VanDerWaalsContact C-N 3.33Å; D364-K366 PolarHBondContact O-N 3.48Å; D364-T367 WeakPolarHBondContact O-CB 3.44Å; D364-T367 PolarHBondContact O-N 3.07Å; D364-T367 VanDerWaalsContact O-N 3.13Å; D364-L368 PolarHBondContact O-N 2.78Å
365	V	96.1	Very high	95.5	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-41.3	178	167.1	0	0	0	0	111.7	T353 S360 N361 T367 L368 L369	T353-V365 HydrophobicContact CG2-CB 4.38Å; T353-V365 HydrophobicContact CG2-CG1 3.44Å; T353-V365 VanDerWaalsContact CG2-CG1 3.44Å; T353-V365 HydrophobicContact CG2-CG2 3.97Å; S360-V365 VanDerWaalsContact OG-CG2 3.29Å; S360-V365 WeakPolarHBondContact OG-CG2 3.33Å; N361-V365 WeakPolarHBondContact O-CG2 3.3Å; N361-V365 PolarHBondContact O-N 3.36Å; V365-T367 PolarHBondContact O-N 2.92Å; V365-L368 PolarHBondContact O-N 3.41Å; V365-L368 VanDerWaalsContact O-N 3.14Å; V365-L369 HydrophobicContact CG1-CD1 3.86Å; V365-L369 HydrophobicContact CG1-CG 4.08Å; V365-L369 VanDerWaalsContact O-CG 3.32Å; V365-L369 WeakPolarHBondContact O-CG 3.35Å; V365-L369 PolarHBondContact O-N 3.38Å
366	K	95.2	Very high	95.6	Very high	159 Å²	159	48.6 Å²	48.6	69%	0.691	26%	0.26	S	S	*	.	H	α-helix	trans	-57.5	-40.3	177.1	-176.5	-178.9	179	-177.7	0	111.5	P362 D364	P362-K366 WeakPolarHBondContact O-CB 3.48Å; P362-K366 PolarHBondContact O-N 3.24Å; D364-K366 VanDerWaalsContact C-N 3.33Å; D364-K366 PolarHBondContact O-N 3.48Å
367	T	94.5	Very high	95.7	Very high	66 Å²	66	46.8 Å²	46.8	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-48.7	175.4	-54.4	0	0	0	0	110.3	D363 D364 V365 L369 S370 E371	D363-T367 PolarHBondContact O-N 3.11Å; D363-T367 PolarHBondContact O-OG1 3Å; D364-T367 WeakPolarHBondContact O-CB 3.44Å; D364-T367 PolarHBondContact O-N 3.07Å; D364-T367 VanDerWaalsContact O-N 3.13Å; V365-T367 PolarHBondContact O-N 2.92Å; T367-L369 PolarHBondContact O-N 3.47Å; T367-S370 WeakPolarHBondContact O-CB 3.31Å; T367-S370 PolarHBondContact O-N 2.68Å; T367-S370 VanDerWaalsContact O-N 3.07Å; T367-S370 PolarHBondContact O-OG 2.91Å; T367-E371 PolarHBondContact O-N 2.89Å
368	L	96.5	Very high	95.8	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-43.4	179.7	179.2	54.9	0	0	0	113.2	F193 P214 A216 V342 M351 D364 V365 S370 E371 V372	F193-L368 HydrophobicContact CE1-CD1 4.45Å; F193-L368 HydrophobicContact CE2-CD1 4.43Å; F193-L368 HydrophobicContact CE2-CD2 3.84Å; F193-L368 HydrophobicContact CZ-CD1 4.25Å; F193-L368 HydrophobicContact CZ-CD2 3.91Å; F193-L368 HydrophobicContact CZ-CG 4.46Å; P214-L368 HydrophobicContact CB-CD2 3.83Å; P214-L368 HydrophobicContact CG-CD2 4.31Å; A216-L368 HydrophobicContact CB-CD1 3.56Å; A216-L368 HydrophobicContact CB-CD2 3.98Å; A216-L368 HydrophobicContact CB-CG 4.24Å; V342-L368 HydrophobicContact CB-CD1 4.34Å; V342-L368 HydrophobicContact CG1-CD1 3.84Å; V342-L368 HydrophobicContact CG2-CD1 4.05Å; M351-L368 HydrophobicContact CE-CD2 3.78Å; M351-L368 HydrophobicContact CE-CG 3.92Å; D364-L368 PolarHBondContact O-N 2.78Å; V365-L368 PolarHBondContact O-N 3.41Å; V365-L368 VanDerWaalsContact O-N 3.14Å; L368-S370 PolarHBondContact O-N 2.85Å; L368-E371 PolarHBondContact O-N 3.01Å; L368-V372 HydrophobicContact CD1-CG2 4.01Å; L368-V372 HydrophobicContact CG-CG2 4.35Å; L368-V372 PolarHBondContact O-N 2.82Å; L368-V372 VanDerWaalsContact O-N 3.08Å
369	L	96.6	Very high	96.1	Very high	43 Å²	43	49 Å²	49	23%	0.225	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-30.8	177.8	-72.5	169.2	0	0	0	112.5	M351 V365 T367 E371 L375 H378	M351-L369 HydrophobicContact CE-CD2 3.85Å; M351-L369 HydrophobicContact CE-CG 4.41Å; M351-L369 HydrophobicContact SD-CD2 3.8Å; V365-L369 HydrophobicContact CG1-CD1 3.86Å; V365-L369 HydrophobicContact CG1-CG 4.08Å; V365-L369 VanDerWaalsContact O-CG 3.32Å; V365-L369 WeakPolarHBondContact O-CG 3.35Å; V365-L369 PolarHBondContact O-N 3.38Å; T367-L369 PolarHBondContact O-N 3.47Å; L369-E371 VanDerWaalsContact C-N 3.35Å; L369-L375 HydrophobicContact CD2-CD1 4.49Å; L369-L375 HydrophobicContact CD2-CD2 3.68Å; L369-H378 HydrophobicContact CD2-CB 4.27Å
370	S	94.9	Very high	96.3	Very high	93 Å²	93	50.8 Å²	50.8	65%	0.65	27%	0.271	S	S	*	.	H	α-helix	trans	-77.9	-19.3	175.8	77	0	0	0	0	113.7	T367 L368	T367-S370 WeakPolarHBondContact O-CB 3.31Å; T367-S370 PolarHBondContact O-N 2.68Å; T367-S370 VanDerWaalsContact O-N 3.07Å; T367-S370 PolarHBondContact O-OG 2.91Å; L368-S370 PolarHBondContact O-N 2.85Å
371	E	95.9	Very high	96.5	Very high	44 Å²	44	50.7 Å²	50.7	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	-92.1	-28	179.1	-63.6	-164.2	161.2	0	0	112.8	R339 V342 R343 T367 L368 L369 S373	R339-E371 IonicContact NH2-OE1 3.81Å; R339-E371 PolarHBondContact NH2-OE1 3.28Å; V342-E371 HydrophobicContact CB-CB 4.03Å; V342-E371 HydrophobicContact CG1-CB 4.42Å; R343-E371 WeakPolarHBondContact CA-O 3.39Å; R343-E371 WeakPolarHBondContact CB-O 3.15Å; R343-E371 PolarHBondContact N-O 3.36Å; T367-E371 PolarHBondContact O-N 2.89Å; L368-E371 PolarHBondContact O-N 3.01Å; L369-E371 VanDerWaalsContact C-N 3.35Å; E371-S373 PolarHBondContact O-N 2.79Å
372	V	97	Very high	96.6	Very high	10 Å²	10	53.9 Å²	53.9	6%	0.061	29%	0.292	C	S	.	.			trans	-70.7	110.4	179.7	178.5	0	0	0	0	110.6	F193 V342 M345 T349 M351 L368 L375	F193-V372 HydrophobicContact CE1-CG2 4.1Å; V342-V372 HydrophobicContact CG1-CG2 3.72Å; M345-V372 HydrophobicContact CE-CG1 3.9Å; T349-V372 HydrophobicContact CG2-CG1 4.33Å; M351-V372 HydrophobicContact SD-CG2 4.02Å; L368-V372 HydrophobicContact CD1-CG2 4.01Å; L368-V372 HydrophobicContact CG-CG2 4.35Å; L368-V372 PolarHBondContact O-N 2.82Å; L368-V372 VanDerWaalsContact O-N 3.08Å; V372-L375 HydrophobicContact CB-CB 4.48Å; V372-L375 HydrophobicContact CG1-CB 3.99Å; V372-L375 HydrophobicContact CG1-CD1 4.4Å
373	S	95.4	Very high	96.6	Very high	68 Å²	68	55.4 Å²	55.4	48%	0.476	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-30.2	-172.3	59.2	0	0	0	0	114.3	R343 M345 E371	R343-S373 WeakPolarHBondContact O-CB 3.44Å; R343-S373 PolarHBondContact O-OG 3.42Å; M345-S373 PolarHBondContact O-OG 2.86Å; E371-S373 PolarHBondContact O-N 2.79Å
374	N	96.8	Very high	96.7	Very high	59 Å²	59	52 Å²	52	32%	0.316	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	58.1	-179.8	-166.7	3.1	0	0	0	111.7	T346 T349 I376	T346-N374 PolarHBondContact O-ND2 2.86Å; T349-N374 PolarHBondContact N-O 3.47Å; N374-I376 PolarHBondContact O-N 3.47Å
375	L	97.7	Very high	96.7	Very high	62 Å²	62	51.8 Å²	51.8	33%	0.325	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	108	176	-175.8	67	0	0	0	110	M351 L369 V372 Y377 H378	M351-L375 HydrophobicContact CB-CD1 4.28Å; M351-L375 HydrophobicContact CG-CD1 3.85Å; M351-L375 HydrophobicContact SD-CD1 3.58Å; M351-L375 VanDerWaalsContact SD-CD1 3.58Å; L369-L375 HydrophobicContact CD2-CD1 4.49Å; L369-L375 HydrophobicContact CD2-CD2 3.68Å; V372-L375 HydrophobicContact CB-CB 4.48Å; V372-L375 HydrophobicContact CG1-CB 3.99Å; V372-L375 HydrophobicContact CG1-CD1 4.4Å; L375-Y377 WeakPolarHBondContact CD1-O 3.41Å; L375-H378 HydrophobicContact CD1-CB 4.48Å; L375-H378 HydrophobicContact CD2-CB 4.21Å
376	I	97.1	Very high	96.7	Very high	72 Å²	72	51.8 Å²	51.8	37%	0.369	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-18.6	-178.3	61.1	163.4	0	0	0	113.1	M208 P348 T349 A350 N374	M208-I376 HydrophobicContact CE-CD1 3.34Å; M208-I376 HydrophobicContact CG-CD1 3.96Å; M208-I376 HydrophobicContact SD-CD1 3.55Å; M208-I376 VanDerWaalsContact SD-CD1 3.55Å; P348-I376 HydrophobicContact CB-CD1 4.11Å; P348-I376 HydrophobicContact CB-CG2 4.09Å; T349-I376 VanDerWaalsContact O-CG1 3.25Å; T349-I376 WeakPolarHBondContact O-CG1 3.44Å; T349-I376 PolarHBondContact O-N 3.09Å; A350-I376 HydrophobicContact CB-CG1 4.48Å; N374-I376 PolarHBondContact O-N 3.47Å
377	Y	98.3	Very high	96.7	Very high	64 Å²	64	44.8 Å²	44.8	25%	0.251	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	137.9	-178.8	-175.8	-92.8	0	0	0	110.5	A350 M351 W352 L375 K379 E402 L406	A350-Y377 CarbonylContact C-O 3.54Å; A350-Y377 WeakPolarHBondContact CA-O 3.18Å; A350-Y377 HydrophobicContact CB-CD1 4.36Å; M351-Y377 PolarHBondContact N-O 3.48Å; W352-Y377 HydrophobicContact CD2-CE1 4.37Å; W352-Y377 AromaticContact CE2-CE1 3.58Å; W352-Y377 HydrophobicContact CH2-CD1 4.09Å; W352-Y377 HydrophobicContact CH2-CE1 4.32Å; W352-Y377 AromaticContact CZ2-CD1 3.8Å; W352-Y377 HydrophobicContact CZ2-CD1 3.8Å; W352-Y377 AromaticContact CZ2-CE1 3.56Å; W352-Y377 HydrophobicContact CZ2-CE1 3.56Å; W352-Y377 AromaticContact NE1-CE1 3.66Å; L375-Y377 WeakPolarHBondContact CD1-O 3.41Å; Y377-K379 HydrophobicContact CE1-CB 3.61Å; Y377-K379 WeakPolarHBondContact OH-CD 3.38Å; Y377-E402 PolarHBondContact OH-OE2 2.85Å; Y377-E402 VanDerWaalsContact OH-OE2 3.1Å; Y377-L406 HydrophobicContact CD1-CD1 4.26Å; Y377-L406 HydrophobicContact CG-CD1 4.1Å
378	H	98.4	Very high	96.8	Very high	73 Å²	73	41.8 Å²	41.8	34%	0.338	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	132.7	169.4	171.6	-123.3	0	0	0	110.1	M351 T353 L369 L375	M351-H378 VanDerWaalsContact O-CA 3.31Å; M351-H378 WeakPolarHBondContact O-CA 3.48Å; T353-H378 PolarHBondContact OG1-NE2 3.3Å; L369-H378 HydrophobicContact CD2-CB 4.27Å; L375-H378 HydrophobicContact CD1-CB 4.48Å; L375-H378 HydrophobicContact CD2-CB 4.21Å
379	K	98.6	Very high	96.8	Very high	40 Å²	40	41.6 Å²	41.6	17%	0.174	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.7	171.7	-176.3	179.6	-173.3	177.5	0	110.6	M351 W352 T353 Y377 I381 R398 E402	M351-K379 PolarHBondContact O-N 2.87Å; W352-K379 WeakPolarHBondContact CA-O 3.36Å; W352-K379 HydrophobicContact CG-CB 4.45Å; T353-K379 PolarHBondContact N-O 3.48Å; Y377-K379 HydrophobicContact CE1-CB 3.61Å; Y377-K379 WeakPolarHBondContact OH-CD 3.38Å; K379-I381 HydrophobicContact CD-CG1 4.47Å; K379-I381 HydrophobicContact CG-CG1 4.33Å; K379-R398 PolarHBondContact NZ-O 3.36Å; K379-E402 VanDerWaalsContact CD-OE2 3.26Å; K379-E402 WeakPolarHBondContact CD-OE2 3.3Å; K379-E402 IonicContact NZ-OE1 3.71Å; K379-E402 PolarHBondContact NZ-OE1 2.79Å; K379-E402 IonicContact NZ-OE2 3.05Å; K379-E402 PolarHBondContact NZ-OE2 3.31Å; K379-E402 VanDerWaalsContact NZ-OE2 3.12Å
380	N	98.4	Very high	96.8	Very high	69 Å²	69	39.7 Å²	39.7	37%	0.369	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.1	166.3	-175.3	-93.6	0	0	0	110.2	T353	T353-N380 CarbonylContact O-C 3.39Å; T353-N380 WeakPolarHBondContact O-CA 3.39Å; T353-N380 PolarHBondContact O-ND2 3.48Å; T353-N380 PolarHBondContact OG1-ND2 2.9Å; T353-N380 VanDerWaalsContact OG1-ND2 3.16Å
381	I	98.3	Very high	96.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	97.1	173.8	-57.2	172.3	0	0	0	107.3	T353 G354 G355 K379 E383 W384 R398 V399	T353-I381 PolarHBondContact O-N 3.4Å; G354-I381 WeakPolarHBondContact CA-O 3.35Å; G355-I381 PolarHBondContact N-O 2.83Å; K379-I381 HydrophobicContact CD-CG1 4.47Å; K379-I381 HydrophobicContact CG-CG1 4.33Å; I381-E383 HydrophobicContact CG2-CG 4.27Å; I381-E383 PolarHBondContact O-N 3.39Å; I381-E383 VanDerWaalsContact O-N 3.13Å; I381-W384 HydrophobicContact CB-CB 4.08Å; I381-W384 HydrophobicContact CB-CD2 4.01Å; I381-W384 HydrophobicContact CB-CE3 4.44Å; I381-W384 HydrophobicContact CB-CG 3.85Å; I381-W384 HydrophobicContact CD1-CD2 3.65Å; I381-W384 HydrophobicContact CD1-CE3 3.57Å; I381-W384 HydrophobicContact CD1-CG 4.41Å; I381-W384 HydrophobicContact CD1-CH2 3.87Å; I381-W384 HydrophobicContact CD1-CZ2 3.93Å; I381-W384 HydrophobicContact CD1-CZ3 3.69Å; I381-W384 HydrophobicContact CG1-CD2 4.43Å; I381-W384 HydrophobicContact CG2-CB 3.86Å; I381-W384 HydrophobicContact CG2-CD2 3.68Å; I381-W384 HydrophobicContact CG2-CG 3.29Å; I381-W384 PolarHBondContact O-N 3.18Å; I381-W384 VanDerWaalsContact O-N 3.15Å; I381-R398 HydrophobicContact CD1-CB 4.1Å; I381-R398 VanDerWaalsContact CG2-NH2 3.3Å; I381-V399 HydrophobicContact CD1-CG2 3.62Å
382	P	97.2	Very high	96.9	Very high	72 Å²	72	33.5 Å²	33.5	47%	0.468	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.2	-166.9	-30.4	36.2	0	0	0	115.3	G355 Q356	G355-P382 CarbonylContact C-O 3.49Å; G355-P382 WeakPolarHBondContact CA-O 3.17Å; Q356-P382 WeakPolarHBondContact CG-O 3.29Å; Q356-P382 PolarHBondContact N-O 3.38Å; Q356-P382 PolarHBondContact NE2-O 3.49Å
383	E	95.8	Very high	96.9	Very high	82 Å²	82	36.6 Å²	36.6	38%	0.383	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.9	-174.7	65.1	-84.3	-157	0	0	114	N280 I381 R398	N280-E383 PolarHBondContact ND2-O 3.39Å; I381-E383 HydrophobicContact CG2-CG 4.27Å; I381-E383 PolarHBondContact O-N 3.39Å; I381-E383 VanDerWaalsContact O-N 3.13Å; E383-R398 IonicContact OE1-CZ 3.39Å; E383-R398 IonicContact OE1-NH1 3.71Å; E383-R398 PolarHBondContact OE1-NH1 3.47Å; E383-R398 IonicContact OE1-NH2 2.65Å
384	W	97	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.			trans	-79.8	139.6	-177.1	-79.1	14.8	0	0	0	112.6	N283 G354 G355 Q356 D357 I381 D388 F389 D394 A395 R398 V399	N283-W384 PolarHBondContact ND2-NE1 3.09Å; G354-W384 CarbonylContact C-O 3.56Å; G354-W384 VanDerWaalsContact CA-O 3.31Å; G354-W384 WeakPolarHBondContact CA-O 3.36Å; G355-W384 PolarHBondContact N-O 3.46Å; Q356-W384 CarbonylContact C-O 3.57Å; Q356-W384 WeakPolarHBondContact CA-O 3.37Å; Q356-W384 PolarHBondContact N-O 3.43Å; D357-W384 PolarHBondContact N-O 3.17Å; I381-W384 HydrophobicContact CB-CB 4.08Å; I381-W384 HydrophobicContact CB-CD2 4.01Å; I381-W384 HydrophobicContact CB-CE3 4.44Å; I381-W384 HydrophobicContact CB-CG 3.85Å; I381-W384 HydrophobicContact CD1-CD2 3.65Å; I381-W384 HydrophobicContact CD1-CE3 3.57Å; I381-W384 HydrophobicContact CD1-CG 4.41Å; I381-W384 HydrophobicContact CD1-CH2 3.87Å; I381-W384 HydrophobicContact CD1-CZ2 3.93Å; I381-W384 HydrophobicContact CD1-CZ3 3.69Å; I381-W384 HydrophobicContact CG1-CD2 4.43Å; I381-W384 HydrophobicContact CG2-CB 3.86Å; I381-W384 HydrophobicContact CG2-CD2 3.68Å; I381-W384 HydrophobicContact CG2-CG 3.29Å; I381-W384 PolarHBondContact O-N 3.18Å; I381-W384 VanDerWaalsContact O-N 3.15Å; W384-D388 HydrophobicContact CB-CB 3.92Å; W384-D388 HydrophobicContact CD2-CB 3.61Å; W384-D388 HydrophobicContact CE3-CB 3.76Å; W384-D388 HydrophobicContact CG-CB 3.69Å; W384-D388 HydrophobicContact CZ3-CB 4.41Å; W384-F389 AromaticContact CE3-CD1 3.84Å; W384-F389 HydrophobicContact CE3-CD1 3.84Å; W384-F389 HydrophobicContact CE3-CD2 4.26Å; W384-F389 AromaticContact CE3-CE1 3.6Å; W384-F389 HydrophobicContact CE3-CE1 3.6Å; W384-F389 HydrophobicContact CE3-CE2 4.08Å; W384-F389 HydrophobicContact CE3-CG 4.16Å; W384-F389 AromaticContact CE3-CZ 3.74Å; W384-F389 HydrophobicContact CE3-CZ 3.74Å; W384-F389 AromaticContact CZ3-CD1 3.59Å; W384-F389 HydrophobicContact CZ3-CD1 3.59Å; W384-F389 AromaticContact CZ3-CE1 3.71Å; W384-F389 HydrophobicContact CZ3-CE1 3.71Å; W384-F389 HydrophobicContact CZ3-CG 4.08Å; W384-F389 HydrophobicContact CZ3-CZ 4.31Å; W384-D394 WeakPolarHBondContact CZ2-OD1 3.49Å; W384-D394 PolarHBondContact NE1-OD1 2.92Å; W384-D394 VanDerWaalsContact NE1-OD1 3.09Å; W384-D394 PolarHBondContact NE1-OD2 3.25Å; W384-A395 HydrophobicContact CH2-CB 3.72Å; W384-A395 HydrophobicContact CZ2-CB 4.13Å; W384-R398 HydrophobicContact CH2-CB 3.93Å; W384-R398 HydrophobicContact CZ2-CB 3.46Å; W384-R398 VanDerWaalsContact CZ2-CB 3.46Å; W384-R398 HydrophobicContact CZ2-CG 3.9Å; W384-V399 HydrophobicContact CE3-CG2 4.45Å; W384-V399 HydrophobicContact CH2-CB 4.01Å; W384-V399 HydrophobicContact CH2-CG2 3.27Å; W384-V399 HydrophobicContact CZ2-CG2 4.3Å; W384-V399 HydrophobicContact CZ3-CB 4.33Å; W384-V399 HydrophobicContact CZ3-CG2 3.37Å
385	A	95.3	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.			trans	-98.8	-174.4	167.3	0	0	0	0	0	110.7	G278 N280 V387 D388	G278-A385 VanDerWaalsContact C-CB 3.46Å; G278-A385 WeakPolarHBondContact O-CB 3.4Å; N280-A385 HydrophobicContact CB-CB 4.26Å; A385-V387 PolarHBondContact O-N 3.14Å; A385-D388 VanDerWaalsContact C-OD2 3.31Å; A385-D388 VanDerWaalsContact CA-OD2 3.29Å; A385-D388 WeakPolarHBondContact CA-OD2 3.2Å; A385-D388 WeakPolarHBondContact CB-OD2 3.25Å; A385-D388 PolarHBondContact N-OD2 3.22Å; A385-D388 PolarHBondContact O-N 3.01Å; A385-D388 VanDerWaalsContact O-OD2 3.12Å
386	H	95.9	Very high	97.1	Very high	7 Å²	7	30 Å²	30	3%	0.032	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.8	-170.3	-159.2	63.4	0	0	0	114.4	Y185 S186 A213 G277 D357 F389	Y185-H386 WeakPolarHBondContact CE2-O 3.44Å; Y185-H386 AromaticContact CZ-CD2 3.84Å; Y185-H386 AromaticContact CZ-NE2 3.95Å; Y185-H386 PolarHBondContact OH-CD2 3.25Å; Y185-H386 PolarHBondContact OH-O 3.21Å; S186-H386 WeakPolarHBondContact CB-NE2 3.14Å; S186-H386 PolarHBondContact OG-CE1 2.88Å; S186-H386 PolarHBondContact OG-NE2 2.92Å; A213-H386 WeakPolarHBondContact CB-ND1 3.38Å; G277-H386 VanDerWaalsContact CA-CB 3.49Å; G277-H386 VanDerWaalsContact O-CB 3.23Å; G277-H386 WeakPolarHBondContact O-CB 3.38Å; G277-H386 PolarHBondContact O-N 3.49Å; G277-H386 VanDerWaalsContact O-N 3.14Å; D357-H386 VanDerWaalsContact CG-ND1 3.26Å; D357-H386 WeakPolarHBondContact OD1-CB 3.29Å; D357-H386 IonicContact OD1-CG 3.47Å; D357-H386 IonicContact OD1-ND1 2.57Å; D357-H386 PolarHBondContact OD1-ND1 3.13Å; D357-H386 WeakPolarHBondContact OD2-CA 3.48Å; D357-H386 IonicContact OD2-CE1 3.73Å; D357-H386 IonicContact OD2-CG 2.71Å; D357-H386 IonicContact OD2-ND1 3.46Å; D357-H386 PolarHBondContact OD2-ND1 3.38Å; H386-F389 WeakPolarHBondContact O-CD2 3.43Å
387	V	94.2	Very high	97.1	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.079	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.6	-173.4	-58.7	0	0	0	0	113.2	I273 L274 A385 F389 I390 W391	I273-V387 HydrophobicContact CG2-CG1 4.33Å; L274-V387 HydrophobicContact CD2-CG2 3.48Å; L274-V387 VanDerWaalsContact CD2-CG2 3.48Å; A385-V387 PolarHBondContact O-N 3.14Å; V387-F389 PolarHBondContact O-N 2.83Å; V387-F389 VanDerWaalsContact O-N 3.12Å; V387-I390 WeakPolarHBondContact O-CG1 3.2Å; V387-I390 PolarHBondContact O-N 3.03Å; V387-W391 HydrophobicContact CB-CE3 3.82Å; V387-W391 HydrophobicContact CB-CZ3 4.24Å; V387-W391 HydrophobicContact CG1-CE3 4.21Å; V387-W391 HydrophobicContact CG1-CZ3 4.11Å; V387-W391 HydrophobicContact CG2-CE3 4.37Å; V387-W391 PolarHBondContact O-N 3.26Å
388	D	96.8	Very high	97.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-56.6	-30.3	179.2	-66.6	-104.8	0	0	0	112.6	N280 N283 W384 A385 I390 G392	N280-D388 PolarHBondContact ND2-OD1 3.06Å; N283-D388 WeakPolarHBondContact CB-OD1 3.49Å; N283-D388 PolarHBondContact ND2-OD1 3.46Å; W384-D388 HydrophobicContact CB-CB 3.92Å; W384-D388 HydrophobicContact CD2-CB 3.61Å; W384-D388 HydrophobicContact CE3-CB 3.76Å; W384-D388 HydrophobicContact CG-CB 3.69Å; W384-D388 HydrophobicContact CZ3-CB 4.41Å; A385-D388 VanDerWaalsContact C-OD2 3.31Å; A385-D388 VanDerWaalsContact CA-OD2 3.29Å; A385-D388 WeakPolarHBondContact CA-OD2 3.2Å; A385-D388 WeakPolarHBondContact CB-OD2 3.25Å; A385-D388 PolarHBondContact N-OD2 3.22Å; A385-D388 PolarHBondContact O-N 3.01Å; A385-D388 VanDerWaalsContact O-OD2 3.12Å; D388-I390 PolarHBondContact O-N 3Å; D388-G392 WeakPolarHBondContact O-CA 3.33Å; D388-G392 PolarHBondContact O-N 3.41Å
389	F	97.9	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-24.2	179.2	-65.1	-83.4	0	0	0	114.4	Y185 L212 A213 W352 W384 H386 V387 Y400	Y185-F389 HydrophobicContact CD2-CB 3.97Å; Y185-F389 HydrophobicContact CE2-CB 3.96Å; Y185-F389 HydrophobicContact CE2-CD2 4.47Å; L212-F389 HydrophobicContact CB-CB 4.05Å; L212-F389 HydrophobicContact CB-CD1 3.89Å; L212-F389 HydrophobicContact CB-CG 4.15Å; L212-F389 HydrophobicContact CD2-CD1 4.41Å; A213-F389 HydrophobicContact CB-CD2 3.65Å; A213-F389 HydrophobicContact CB-CE2 3.75Å; A213-F389 HydrophobicContact CB-CG 4.27Å; A213-F389 HydrophobicContact CB-CZ 4.47Å; W352-F389 HydrophobicContact CB-CD1 4.3Å; W352-F389 HydrophobicContact CB-CE1 3.64Å; W352-F389 WeakPolarHBondContact O-CE1 3.48Å; W384-F389 AromaticContact CE3-CD1 3.84Å; W384-F389 HydrophobicContact CE3-CD1 3.84Å; W384-F389 HydrophobicContact CE3-CD2 4.26Å; W384-F389 AromaticContact CE3-CE1 3.6Å; W384-F389 HydrophobicContact CE3-CE1 3.6Å; W384-F389 HydrophobicContact CE3-CE2 4.08Å; W384-F389 HydrophobicContact CE3-CG 4.16Å; W384-F389 AromaticContact CE3-CZ 3.74Å; W384-F389 HydrophobicContact CE3-CZ 3.74Å; W384-F389 AromaticContact CZ3-CD1 3.59Å; W384-F389 HydrophobicContact CZ3-CD1 3.59Å; W384-F389 AromaticContact CZ3-CE1 3.71Å; W384-F389 HydrophobicContact CZ3-CE1 3.71Å; W384-F389 HydrophobicContact CZ3-CG 4.08Å; W384-F389 HydrophobicContact CZ3-CZ 4.31Å; H386-F389 WeakPolarHBondContact O-CD2 3.43Å; V387-F389 PolarHBondContact O-N 2.83Å; V387-F389 VanDerWaalsContact O-N 3.12Å; F389-Y400 VanDerWaalsContact O-CE1 3.29Å; F389-Y400 WeakPolarHBondContact O-CE1 3.18Å; F389-Y400 PolarHBondContact O-OH 3.44Å
390	I	96.5	Very high	97.1	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-114	-29	-180	52.5	165.7	0	0	0	112.4	N106 W107 Y185 V387 D388 Y400	N106-I390 HydrophobicContact CB-CD1 4.11Å; N106-I390 HydrophobicContact CB-CG2 4.43Å; N106-I390 WeakPolarHBondContact ND2-CD1 3.21Å; W107-I390 HydrophobicContact CE3-CG2 4.32Å; W107-I390 HydrophobicContact CH2-CG2 4.43Å; W107-I390 HydrophobicContact CZ3-CG2 4.05Å; Y185-I390 HydrophobicContact CD1-CD1 4.28Å; Y185-I390 HydrophobicContact CD1-CG2 3.82Å; Y185-I390 HydrophobicContact CD2-CG2 4.16Å; Y185-I390 HydrophobicContact CE1-CD1 3.66Å; Y185-I390 HydrophobicContact CE1-CG1 4.15Å; Y185-I390 HydrophobicContact CE1-CG2 4.15Å; Y185-I390 HydrophobicContact CE2-CG2 4.46Å; Y185-I390 HydrophobicContact CG-CG2 3.82Å; V387-I390 WeakPolarHBondContact O-CG1 3.2Å; V387-I390 PolarHBondContact O-N 3.03Å; D388-I390 PolarHBondContact O-N 3Å; I390-Y400 WeakPolarHBondContact CA-OH 3.15Å; I390-Y400 PolarHBondContact O-OH 2.81Å
391	W	96	Very high	97.1	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-125.3	1.5	-173.4	-60.4	-32.6	0	0	0	115	N106 S109 N110 I273 M284 Y292 T296 V387 L393	N106-W391 VanDerWaalsContact ND2-CZ2 3.31Å; N106-W391 WeakPolarHBondContact ND2-CZ2 3.47Å; S109-W391 PolarHBondContact OG-NE1 2.98Å; S109-W391 VanDerWaalsContact OG-NE1 3.13Å; N110-W391 WeakPolarHBondContact ND2-CA 3.16Å; I273-W391 HydrophobicContact CG2-CE3 4.31Å; I273-W391 HydrophobicContact CG2-CH2 4.44Å; I273-W391 HydrophobicContact CG2-CZ3 3.55Å; M284-W391 HydrophobicContact CE-CE3 4.18Å; Y292-W391 AromaticContact CD1-CD2 3.97Å; Y292-W391 HydrophobicContact CD1-CD2 3.97Å; Y292-W391 AromaticContact CD1-CE2 3.73Å; Y292-W391 HydrophobicContact CD1-CG 4.21Å; Y292-W391 HydrophobicContact CD1-CZ2 4.14Å; Y292-W391 AromaticContact CD1-NE1 3.81Å; Y292-W391 AromaticContact CE1-CD1 3.8Å; Y292-W391 HydrophobicContact CE1-CD2 4.19Å; Y292-W391 AromaticContact CE1-CG 3.93Å; Y292-W391 HydrophobicContact CE1-CG 3.93Å; Y292-W391 AromaticContact CE1-NE1 3.96Å; Y292-W391 HydrophobicContact CG-CD2 4.34Å; Y292-W391 HydrophobicContact CG-CE3 4.49Å; Y292-W391 HydrophobicContact CG-CZ2 4.44Å; T296-W391 HydrophobicContact CG2-CH2 4.41Å; V387-W391 HydrophobicContact CB-CE3 3.82Å; V387-W391 HydrophobicContact CB-CZ3 4.24Å; V387-W391 HydrophobicContact CG1-CE3 4.21Å; V387-W391 HydrophobicContact CG1-CZ3 4.11Å; V387-W391 HydrophobicContact CG2-CE3 4.37Å; V387-W391 PolarHBondContact O-N 3.26Å; W391-L393 PolarHBondContact O-N 2.93Å
392	G	96.4	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-58.6	129.3	177.2	0	0	0	0	0	112.1	N283 D388 D394 A395	N283-G392 CarbonylContact O-C 3.45Å; N283-G392 VanDerWaalsContact O-CA 3.22Å; N283-G392 WeakPolarHBondContact O-CA 3.43Å; D388-G392 WeakPolarHBondContact O-CA 3.33Å; D388-G392 PolarHBondContact O-N 3.41Å; G392-D394 VanDerWaalsContact C-N 3.26Å; G392-D394 PolarHBondContact O-N 3.16Å; G392-A395 VanDerWaalsContact O-CB 3.25Å; G392-A395 WeakPolarHBondContact O-CB 3.49Å; G392-A395 PolarHBondContact O-N 3.3Å
393	L	97.2	Very high	97.1	Very high	75 Å²	75	27.8 Å²	27.8	39%	0.393	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-37.2	176.9	-71.3	174.2	0	0	0	111.5	N283 N285 W391	N283-L393 PolarHBondContact O-N 2.88Å; N283-L393 PolarHBondContact OD1-N 3.47Å; N283-L393 VanDerWaalsContact OD1-N 3.12Å; N285-L393 HydrophobicContact CB-CD2 3.89Å; W391-L393 PolarHBondContact O-N 2.93Å
394	D	97.6	Very high	97.2	Very high	41 Å²	41	24.6 Å²	24.6	22%	0.219	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.3	178.4	72.7	-10.4	0	0	0	114.2	N283 W384 G392 P396 H397 R398	N283-D394 VanDerWaalsContact CG-OD1 3.31Å; N283-D394 PolarHBondContact ND2-OD1 3.48Å; N283-D394 PolarHBondContact OD1-N 3.43Å; N283-D394 VanDerWaalsContact OD1-N 3.11Å; N283-D394 PolarHBondContact OD1-OD1 3.26Å; N283-D394 VanDerWaalsContact OD1-OD1 3.08Å; W384-D394 WeakPolarHBondContact CZ2-OD1 3.49Å; W384-D394 PolarHBondContact NE1-OD1 2.92Å; W384-D394 VanDerWaalsContact NE1-OD1 3.09Å; W384-D394 PolarHBondContact NE1-OD2 3.25Å; G392-D394 VanDerWaalsContact C-N 3.26Å; G392-D394 PolarHBondContact O-N 3.16Å; D394-P396 VanDerWaalsContact C-N 3.31Å; D394-H397 PolarHBondContact O-N 3.4Å; D394-R398 HydrophobicContact CB-CG 4.15Å; D394-R398 WeakPolarHBondContact O-CG 3.25Å; D394-R398 PolarHBondContact O-N 2.79Å; D394-R398 WeakPolarHBondContact OD2-CG 3.22Å
395	A	98.3	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-55	-35.1	-176.4	0	0	0	0	0	115.1	W384 G392 H397 R398 V399 Y400	W384-A395 HydrophobicContact CH2-CB 3.72Å; W384-A395 HydrophobicContact CZ2-CB 4.13Å; G392-A395 VanDerWaalsContact O-CB 3.25Å; G392-A395 WeakPolarHBondContact O-CB 3.49Å; G392-A395 PolarHBondContact O-N 3.3Å; A395-H397 VanDerWaalsContact C-N 3.32Å; A395-H397 PolarHBondContact O-N 3.31Å; A395-R398 PolarHBondContact O-N 3.44Å; A395-V399 PolarHBondContact O-N 2.78Å; A395-Y400 HydrophobicContact CB-CD2 4.35Å; A395-Y400 HydrophobicContact CB-CE1 3.99Å; A395-Y400 HydrophobicContact CB-CE2 3.7Å; A395-Y400 VanDerWaalsContact CB-CZ 3.49Å; A395-Y400 PolarHBondContact O-N 3.35Å
396	P	98.3	Very high	97.3	Very high	9 Å²	9	31 Å²	31	6%	0.058	15%	0.15	C	C	.	.	I	π-helix	trans	-56	-45.3	173.9	-29.3	39.5	0	0	0	113.4	N113 N114 I119 D394 Y400 N401	N113-P396 WeakPolarHBondContact O-CG 3.34Å; N114-P396 VanDerWaalsContact CA-CG 3.49Å; N114-P396 HydrophobicContact CB-CG 3.59Å; I119-P396 HydrophobicContact CD1-CB 4.12Å; I119-P396 HydrophobicContact CD1-CG 4.05Å; D394-P396 VanDerWaalsContact C-N 3.31Å; P396-Y400 HydrophobicContact CB-CD2 4.23Å; P396-Y400 HydrophobicContact CG-CD2 3.94Å; P396-Y400 HydrophobicContact CG-CE2 4.27Å; P396-N401 WeakPolarHBondContact O-CB 3.14Å; P396-N401 PolarHBondContact O-N 3.46Å; P396-N401 PolarHBondContact O-ND2 2.77Å
397	H	97.4	Very high	97.4	Very high	147 Å²	147	30.9 Å²	30.9	68%	0.681	15%	0.149	S	C	*	.	I	π-helix	trans	-79.5	-35.3	-175.9	-61	-71	0	0	0	112.2	D394 A395	D394-H397 PolarHBondContact O-N 3.4Å; A395-H397 VanDerWaalsContact C-N 3.32Å; A395-H397 PolarHBondContact O-N 3.31Å
398	R	97.6	Very high	97.2	Very high	67 Å²	67	36 Å²	36	25%	0.253	17%	0.171	S	C	.	.	I	π-helix	trans	-86.2	-27.2	-173.2	-66	-64.7	-57.2	-115.1	3	114	K379 I381 E383 W384 D394 A395	K379-R398 PolarHBondContact NZ-O 3.36Å; I381-R398 HydrophobicContact CD1-CB 4.1Å; I381-R398 VanDerWaalsContact CG2-NH2 3.3Å; E383-R398 IonicContact OE1-CZ 3.39Å; E383-R398 IonicContact OE1-NH1 3.71Å; E383-R398 PolarHBondContact OE1-NH1 3.47Å; E383-R398 IonicContact OE1-NH2 2.65Å; W384-R398 HydrophobicContact CH2-CB 3.93Å; W384-R398 HydrophobicContact CZ2-CB 3.46Å; W384-R398 VanDerWaalsContact CZ2-CB 3.46Å; W384-R398 HydrophobicContact CZ2-CG 3.9Å; D394-R398 HydrophobicContact CB-CG 4.15Å; D394-R398 WeakPolarHBondContact O-CG 3.25Å; D394-R398 PolarHBondContact O-N 2.79Å; D394-R398 WeakPolarHBondContact OD2-CG 3.22Å; A395-R398 PolarHBondContact O-N 3.44Å
399	V	98.6	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-138.2	-54.8	-171.4	176	0	0	0	0	112.6	L212 W352 I381 W384 A395 N401 E402 I403	L212-V399 HydrophobicContact CD2-CG1 3.86Å; W352-V399 HydrophobicContact CB-CG2 4.42Å; W352-V399 HydrophobicContact CD2-CG1 4.12Å; W352-V399 HydrophobicContact CG-CG1 4.08Å; W352-V399 HydrophobicContact CG-CG2 4.03Å; I381-V399 HydrophobicContact CD1-CG2 3.62Å; W384-V399 HydrophobicContact CE3-CG2 4.45Å; W384-V399 HydrophobicContact CH2-CB 4.01Å; W384-V399 HydrophobicContact CH2-CG2 3.27Å; W384-V399 HydrophobicContact CZ2-CG2 4.3Å; W384-V399 HydrophobicContact CZ3-CB 4.33Å; W384-V399 HydrophobicContact CZ3-CG2 3.37Å; A395-V399 PolarHBondContact O-N 2.78Å; V399-N401 PolarHBondContact O-N 3.4Å; V399-E402 WeakPolarHBondContact O-CB 3.43Å; V399-E402 PolarHBondContact O-N 3.46Å; V399-I403 HydrophobicContact CG1-CD1 3.77Å; V399-I403 HydrophobicContact CG1-CG1 4.22Å; V399-I403 PolarHBondContact O-N 2.8Å
400	Y	98.6	Very high	95.7	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	19%	0.193	C	C	.	.	I	π-helix	trans	-65	-38.8	-167.2	-52.2	-24.2	0	0	0	112.9	L116 I119 F389 I390 A395 P396 E402 I403 I404	L116-Y400 HydrophobicContact CB-CD1 4.1Å; L116-Y400 HydrophobicContact CB-CD2 4.23Å; L116-Y400 HydrophobicContact CB-CE1 4.02Å; L116-Y400 HydrophobicContact CB-CE2 4.15Å; L116-Y400 HydrophobicContact CB-CG 4.21Å; L116-Y400 HydrophobicContact CD1-CD1 3.76Å; L116-Y400 HydrophobicContact CD1-CD2 4.47Å; L116-Y400 HydrophobicContact CD1-CE1 4.48Å; L116-Y400 HydrophobicContact CD1-CG 3.75Å; L116-Y400 HydrophobicContact CD2-CD1 4.31Å; L116-Y400 HydrophobicContact CD2-CE1 4.39Å; L116-Y400 HydrophobicContact CG-CD1 4.27Å; I119-Y400 HydrophobicContact CD1-CD2 3.67Å; I119-Y400 HydrophobicContact CD1-CE2 4.44Å; F389-Y400 VanDerWaalsContact O-CE1 3.29Å; F389-Y400 WeakPolarHBondContact O-CE1 3.18Å; F389-Y400 PolarHBondContact O-OH 3.44Å; I390-Y400 WeakPolarHBondContact CA-OH 3.15Å; I390-Y400 PolarHBondContact O-OH 2.81Å; A395-Y400 HydrophobicContact CB-CD2 4.35Å; A395-Y400 HydrophobicContact CB-CE1 3.99Å; A395-Y400 HydrophobicContact CB-CE2 3.7Å; A395-Y400 VanDerWaalsContact CB-CZ 3.49Å; A395-Y400 PolarHBondContact O-N 3.35Å; P396-Y400 HydrophobicContact CB-CD2 4.23Å; P396-Y400 HydrophobicContact CG-CD2 3.94Å; P396-Y400 HydrophobicContact CG-CE2 4.27Å; Y400-E402 VanDerWaalsContact C-N 3.3Å; Y400-E402 PolarHBondContact O-N 3.42Å; Y400-I403 PolarHBondContact O-N 2.77Å; Y400-I404 PolarHBondContact O-N 2.84Å; Y400-I404 VanDerWaalsContact O-N 3.09Å
401	N	98	Very high	93.9	Very high	79 Å²	79	43.5 Å²	43.5	42%	0.422	21%	0.213	S	C	.	.	H	α-helix	trans	-64.7	-33.7	174.3	-73.2	-21.8	0	0	0	112.6	P396 V399 I404 H405	P396-N401 WeakPolarHBondContact O-CB 3.14Å; P396-N401 PolarHBondContact O-N 3.46Å; P396-N401 PolarHBondContact O-ND2 2.77Å; V399-N401 PolarHBondContact O-N 3.4Å; N401-I404 PolarHBondContact O-N 2.79Å; N401-H405 WeakPolarHBondContact O-CB 3.34Å; N401-H405 PolarHBondContact O-N 3.32Å
402	E	98	Very high	91.5	Very high	50 Å²	50	48.3 Å²	48.3	23%	0.234	24%	0.239	C	C	.	.	H	α-helix	trans	-71.4	-39.5	176.5	-64.8	-178.6	161.6	0	0	111.6	W352 Y377 K379 V399 Y400 I404 H405 L406	W352-E402 HydrophobicContact CZ2-CB 3.99Å; W352-E402 PolarHBondContact NE1-OE2 3.49Å; Y377-E402 PolarHBondContact OH-OE2 2.85Å; Y377-E402 VanDerWaalsContact OH-OE2 3.1Å; K379-E402 VanDerWaalsContact CD-OE2 3.26Å; K379-E402 WeakPolarHBondContact CD-OE2 3.3Å; K379-E402 IonicContact NZ-OE1 3.71Å; K379-E402 PolarHBondContact NZ-OE1 2.79Å; K379-E402 IonicContact NZ-OE2 3.05Å; K379-E402 PolarHBondContact NZ-OE2 3.31Å; K379-E402 VanDerWaalsContact NZ-OE2 3.12Å; V399-E402 WeakPolarHBondContact O-CB 3.43Å; V399-E402 PolarHBondContact O-N 3.46Å; Y400-E402 VanDerWaalsContact C-N 3.3Å; Y400-E402 PolarHBondContact O-N 3.42Å; E402-I404 VanDerWaalsContact C-N 3.34Å; E402-I404 PolarHBondContact O-N 2.79Å; E402-H405 WeakPolarHBondContact O-CB 3.36Å; E402-H405 PolarHBondContact O-N 3.29Å; E402-L406 WeakPolarHBondContact O-CG 3.09Å; E402-L406 PolarHBondContact O-N 3.39Å
403	I	98.6	Very high	89.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-50.6	171.8	-67.2	173	0	0	0	109.9	L116 F210 L212 W352 V399 Y400 H405 L406 M407	L116-I403 HydrophobicContact CD1-CD1 4.45Å; L116-I403 HydrophobicContact CD2-CD1 4.3Å; F210-I403 HydrophobicContact CD1-CB 4.33Å; F210-I403 HydrophobicContact CD1-CG1 4.05Å; F210-I403 HydrophobicContact CD1-CG2 3.93Å; F210-I403 HydrophobicContact CD2-CG2 4.33Å; F210-I403 HydrophobicContact CE1-CB 4.47Å; F210-I403 HydrophobicContact CE1-CG2 4.02Å; F210-I403 HydrophobicContact CE2-CG2 4.41Å; F210-I403 HydrophobicContact CG-CG2 4.1Å; F210-I403 HydrophobicContact CZ-CG2 4.26Å; L212-I403 HydrophobicContact CD1-CD1 4.36Å; L212-I403 HydrophobicContact CD2-CD1 4.11Å; W352-I403 HydrophobicContact CH2-CG1 3.7Å; W352-I403 HydrophobicContact CZ2-CG1 4.04Å; W352-I403 HydrophobicContact CZ3-CG1 4.06Å; V399-I403 HydrophobicContact CG1-CD1 3.77Å; V399-I403 HydrophobicContact CG1-CG1 4.22Å; V399-I403 PolarHBondContact O-N 2.8Å; Y400-I403 PolarHBondContact O-N 2.77Å; I403-H405 VanDerWaalsContact C-N 3.29Å; I403-H405 PolarHBondContact O-N 3.17Å; I403-L406 PolarHBondContact O-N 3.43Å; I403-M407 HydrophobicContact CG2-CE 3.47Å; I403-M407 VanDerWaalsContact CG2-CE 3.47Å; I403-M407 HydrophobicContact CG2-CG 4.5Å; I403-M407 HydrophobicContact CG2-SD 4.08Å; I403-M407 WeakPolarHBondContact O-CG 3.19Å; I403-M407 PolarHBondContact O-N 3.31Å
404	I	97.9	Very high	86.9	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.077	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-41.8	177.9	-71.7	164.9	0	0	0	111.3	I119 L120 A123 F125 Y400 N401 E402 M407 K408	I119-I404 HydrophobicContact CG2-CD1 3.48Å; I119-I404 VanDerWaalsContact CG2-CD1 3.48Å; L120-I404 HydrophobicContact CD2-CD1 4.47Å; L120-I404 HydrophobicContact CD2-CG1 3.82Å; A123-I404 HydrophobicContact CB-CD1 3.71Å; A123-I404 HydrophobicContact CB-CG1 4.12Å; A123-I404 HydrophobicContact CB-CG2 4.14Å; F125-I404 HydrophobicContact CE2-CG1 4.4Å; F125-I404 HydrophobicContact CE2-CG2 4.4Å; Y400-I404 PolarHBondContact O-N 2.84Å; Y400-I404 VanDerWaalsContact O-N 3.09Å; N401-I404 PolarHBondContact O-N 2.79Å; E402-I404 VanDerWaalsContact C-N 3.34Å; E402-I404 PolarHBondContact O-N 2.79Å; I404-M407 PolarHBondContact O-N 3.3Å; I404-K408 HydrophobicContact CG2-CD 3.99Å; I404-K408 WeakPolarHBondContact O-CG 3.49Å; I404-K408 PolarHBondContact O-N 3.33Å
405	H	97.1	Very high	84	Confident	111 Å²	111	59.9 Å²	59.9	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-48.9	178.5	-178.2	68	0	0	0	111.5	N401 E402 I403 M407 K408 L409	N401-H405 WeakPolarHBondContact O-CB 3.34Å; N401-H405 PolarHBondContact O-N 3.32Å; E402-H405 WeakPolarHBondContact O-CB 3.36Å; E402-H405 PolarHBondContact O-N 3.29Å; I403-H405 VanDerWaalsContact C-N 3.29Å; I403-H405 PolarHBondContact O-N 3.17Å; H405-M407 PolarHBondContact O-N 2.83Å; H405-K408 PolarHBondContact O-N 2.92Å; H405-K408 VanDerWaalsContact O-N 3.14Å; H405-L409 VanDerWaalsContact NE2-CD1 3.3Å; H405-L409 WeakPolarHBondContact NE2-CD1 3.3Å; H405-L409 WeakPolarHBondContact O-CG 3.47Å; H405-L409 PolarHBondContact O-N 3.25Å
406	L	97.2	Very high	81.4	Confident	24 Å²	24	63.1 Å²	63.1	13%	0.126	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-41.3	177.8	-72.2	168.4	0	0	0	112.5	M208 F210 A350 W352 Y377 E402 I403 K408 L409 E410	M208-L406 HydrophobicContact SD-CB 4.21Å; F210-L406 HydrophobicContact CE1-CB 3.87Å; F210-L406 HydrophobicContact CE1-CD1 4.13Å; F210-L406 HydrophobicContact CZ-CB 4.32Å; A350-L406 HydrophobicContact CB-CD1 4.08Å; W352-L406 HydrophobicContact CH2-CD1 3.67Å; W352-L406 HydrophobicContact CZ2-CD1 4.01Å; Y377-L406 HydrophobicContact CD1-CD1 4.26Å; Y377-L406 HydrophobicContact CG-CD1 4.1Å; E402-L406 WeakPolarHBondContact O-CG 3.09Å; E402-L406 PolarHBondContact O-N 3.39Å; I403-L406 PolarHBondContact O-N 3.43Å; L406-K408 VanDerWaalsContact C-N 3.28Å; L406-K408 PolarHBondContact O-N 2.96Å; L406-L409 PolarHBondContact O-N 3.23Å; L406-E410 PolarHBondContact O-N 2.93Å
407	M	96.3	Very high	78.5	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.015	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-38.4	174	-70.3	175.6	177.1	0	0	112.1	V94 L120 F125 Y181 V183 F210 I403 I404 H405	V94-M407 HydrophobicContact CB-CE 4.46Å; V94-M407 HydrophobicContact CG1-CE 3.76Å; V94-M407 HydrophobicContact CG2-CE 3.78Å; V94-M407 HydrophobicContact CG2-SD 3.96Å; L120-M407 HydrophobicContact CD2-CE 4.23Å; L120-M407 HydrophobicContact CD2-SD 3.91Å; F125-M407 HydrophobicContact CD1-SD 4.21Å; F125-M407 HydrophobicContact CE1-CB 3.9Å; F125-M407 HydrophobicContact CE1-CG 4.32Å; F125-M407 HydrophobicContact CE1-SD 3.64Å; F125-M407 HydrophobicContact CE2-SD 4.11Å; F125-M407 HydrophobicContact CZ-CB 3.59Å; F125-M407 HydrophobicContact CZ-CG 4.22Å; F125-M407 HydrophobicContact CZ-SD 3.59Å; F125-M407 VanDerWaalsContact CZ-SD 3.59Å; Y181-M407 HydrophobicContact CD1-CG 3.95Å; Y181-M407 HydrophobicContact CD2-CG 4.23Å; Y181-M407 HydrophobicContact CD2-SD 4.33Å; Y181-M407 HydrophobicContact CE1-CB 4.26Å; Y181-M407 HydrophobicContact CE1-CG 4.02Å; Y181-M407 HydrophobicContact CE2-CB 4.32Å; Y181-M407 HydrophobicContact CE2-CG 4.31Å; Y181-M407 HydrophobicContact CG-CE 4.1Å; Y181-M407 HydrophobicContact CG-CG 4.06Å; Y181-M407 HydrophobicContact CG-SD 4.35Å; Y181-M407 PolarHBondContact OH-O 3.37Å; Y181-M407 VanDerWaalsContact OH-O 3.1Å; V183-M407 HydrophobicContact CG2-CE 4.12Å; F210-M407 HydrophobicContact CD2-CE 3.79Å; F210-M407 HydrophobicContact CE1-CG 4.49Å; F210-M407 HydrophobicContact CE2-CE 3.38Å; F210-M407 HydrophobicContact CE2-CG 3.71Å; F210-M407 HydrophobicContact CE2-SD 4.41Å; F210-M407 HydrophobicContact CZ-CE 3.98Å; F210-M407 HydrophobicContact CZ-CG 3.46Å; F210-M407 VanDerWaalsContact CZ-CG 3.46Å; I403-M407 HydrophobicContact CG2-CE 3.47Å; I403-M407 VanDerWaalsContact CG2-CE 3.47Å; I403-M407 HydrophobicContact CG2-CG 4.5Å; I403-M407 HydrophobicContact CG2-SD 4.08Å; I403-M407 WeakPolarHBondContact O-CG 3.19Å; I403-M407 PolarHBondContact O-N 3.31Å; I404-M407 PolarHBondContact O-N 3.3Å; H405-M407 PolarHBondContact O-N 2.83Å
408	K	91	Very high	75.5	Confident	122 Å²	122	67.7 Å²	67.7	53%	0.53	38%	0.378	S	S	.	.	H	α-helix	trans	-76.8	-23	179.2	-72.9	177.3	179.1	176.1	0	113.7	I404 H405 L406 P411	I404-K408 HydrophobicContact CG2-CD 3.99Å; I404-K408 WeakPolarHBondContact O-CG 3.49Å; I404-K408 PolarHBondContact O-N 3.33Å; H405-K408 PolarHBondContact O-N 2.92Å; H405-K408 VanDerWaalsContact O-N 3.14Å; L406-K408 VanDerWaalsContact C-N 3.28Å; L406-K408 PolarHBondContact O-N 2.96Å; K408-P411 VanDerWaalsContact O-CD 3.32Å; K408-P411 WeakPolarHBondContact O-CD 3.46Å
409	L	86.6	Confident	72.5	Confident	64 Å²	64	73.4 Å²	73.4	34%	0.335	41%	0.405	S	S	.	.	H	α-helix	trans	-81.9	-24.6	176.3	-74.5	-179.9	0	0	0	113.8	H405 L406 P411 N412 L413	H405-L409 VanDerWaalsContact NE2-CD1 3.3Å; H405-L409 WeakPolarHBondContact NE2-CD1 3.3Å; H405-L409 WeakPolarHBondContact O-CG 3.47Å; H405-L409 PolarHBondContact O-N 3.25Å; L406-L409 PolarHBondContact O-N 3.23Å; L409-P411 VanDerWaalsContact C-N 3.33Å; L409-N412 WeakPolarHBondContact O-CB 3.2Å; L409-N412 PolarHBondContact O-N 3.27Å; L409-L413 PolarHBondContact O-N 3.46Å
410	E	75.7	Confident	69.4	Low	34 Å²	34	79 Å²	79	16%	0.159	44%	0.439	C	S	.	.	H	α-helix	trans	-49.5	-39.2	-178.4	-169.7	-89.7	138.9	0	0	115.7	Y181 K207 M208 L406 N412 L413 S414	Y181-E410 PolarHBondContact OH-OE2 3.1Å; K207-E410 IonicContact NZ-OE2 2.76Å; K207-E410 PolarHBondContact NZ-OE2 2.89Å; M208-E410 HydrophobicContact CE-CB 4.42Å; M208-E410 HydrophobicContact CE-CG 4.4Å; L406-E410 PolarHBondContact O-N 2.93Å; E410-N412 PolarHBondContact O-N 3.07Å; E410-N412 VanDerWaalsContact O-N 3.11Å; E410-L413 PolarHBondContact O-N 3.45Å; E410-L413 VanDerWaalsContact O-N 3.13Å; E410-S414 PolarHBondContact O-N 3.01Å; E410-S414 PolarHBondContact O-OG 3.46Å
411	P	59.1	Low	66.2	Low	65 Å²	65	85.3 Å²	85.3	42%	0.422	48%	0.477	S	S	.	.	H	α-helix	trans	-56.5	-27.9	175.5	-23.7	33.8	0	0	0	113.9	K408 L409 S414	K408-P411 VanDerWaalsContact O-CD 3.32Å; K408-P411 WeakPolarHBondContact O-CD 3.46Å; L409-P411 VanDerWaalsContact C-N 3.33Å; P411-S414 PolarHBondContact O-OG 3.43Å
412	N	46.8	Very low	63.6	Low	108 Å²	108	92.7 Å²	92.7	58%	0.578	52%	0.516	S	S	*	.	H	α-helix	trans	-90.1	-20.1	-178.4	-62.6	-20.3	0	0	0	113	L409 E410 Q415	L409-N412 WeakPolarHBondContact O-CB 3.2Å; L409-N412 PolarHBondContact O-N 3.27Å; E410-N412 PolarHBondContact O-N 3.07Å; E410-N412 VanDerWaalsContact O-N 3.11Å; N412-Q415 VanDerWaalsContact O-O 3.13Å
413	L	49.5	Very low	61.9	Low	126 Å²	126	94.8 Å²	94.8	66%	0.66	53%	0.53	S	S	*	.	H	α-helix	trans	-80.6	-29.2	178.2	-73.6	165.6	0	0	0	112.2	L409 E410	L409-L413 PolarHBondContact O-N 3.46Å; E410-L413 PolarHBondContact O-N 3.45Å; E410-L413 VanDerWaalsContact O-N 3.13Å
414	S	46.3	Very low	60	Low	85 Å²	85	99.8 Å²	99.8	59%	0.594	56%	0.558	S	S	*	*	S	Bend	trans	-79.8	-18.4	175.8	45.4	0	0	0	0	113.4	E410 P411	E410-S414 PolarHBondContact O-N 3.01Å; E410-S414 PolarHBondContact O-OG 3.46Å; P411-S414 PolarHBondContact O-OG 3.43Å
415	Q	37	Very low	57.9	Low	147 Å²	147	104.5 Å²	104.5	69%	0.687	58%	0.584	S	S	*	*	S	Bend	trans	-104.6	79.7	170.7	-65	-178.4	-2.5	0	0	108.9	N412 T417	N412-Q415 VanDerWaalsContact O-O 3.13Å; Q415-T417 PolarHBondContact O-N 2.98Å
416	G	44.3	Very low	55.6	Low	69 Å²	69	104.1 Å²	104.1	71%	0.711	59%	0.588	S	S	*	*			trans	-48.4	109.9	-175.5	0	0	0	0	0	113.5
417	T	37.3	Very low	53	Low	127 Å²	127	109.1 Å²	109.1	78%	0.779	62%	0.617	S	S	*	*			trans	-176.7	90.2	149.2	20.8	0	0	0	0	109	Q415 K419	Q415-T417 PolarHBondContact O-N 2.98Å; T417-K419 PolarHBondContact O-N 3Å
418	C	35.1	Very low	50.1	Low	124 Å²	124	116.2 Å²	116.2	84%	0.838	66%	0.658	S	S	*	*			trans	-87.9	93.2	159.8	-139.3	0	0	0	0	107.4	V420	C418-V420 PolarHBondContact O-N 3.33Å
419	K	33.3	Very low	47.2	Very low	187 Å²	187	115.8 Å²	115.8	81%	0.813	67%	0.667	S	S	*	*			trans	-77.5	96.7	160.2	-86	-170.7	178.1	-178.9	0	107.1	T417 T421	T417-K419 PolarHBondContact O-N 3Å; K419-T421 PolarHBondContact O-N 3.16Å
420	V	34.3	Very low	44.1	Very low	118 Å²	118	119.8 Å²	119.8	72%	0.715	69%	0.692	S	S	*	*			trans	-68.8	116.2	163.6	-179.9	0	0	0	0	106.6	C418	C418-V420 PolarHBondContact O-N 3.33Å
421	T	31.9	Very low	41.5	Very low	133 Å²	133	126.9 Å²	126.9	82%	0.816	74%	0.737	S	S	*	*			trans	-96.3	119.8	162.6	-39.2	0	0	0	0	105.1	K419	K419-T421 PolarHBondContact O-N 3.16Å
422	L	43	Very low	39.9	Very low	234 Å²	234	132.5 Å²	132.5	100%	1.225	77%	0.765	S	S	*	*			trans	-59.5	0	-178	-76.1	164	0	0	0	112.7

Retrieved 422 of 422 residues in 91.9 ms (Link to these results)

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