A0A087XKG0_POEFO Loading...

Olfactomedin 3

AlphaFold DB , UniProt , Accession A0A087XKG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 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	54.4	Low	64.5	Low	220 Å²	220	122.4 Å²	122.4	100%	1.084	63%	0.628	S	S	*	*				0	128.3	0	-92.1	178.2	-89	0	0	107.4
2	S	55.7	Low	64.7	Low	67 Å²	67	118.8 Å²	118.8	47%	0.469	62%	0.616	S	S	.	*			trans	-71	144.3	-172.9	67	0	0	0	0	111	S4 I5	S2-S4 PolarHBondContact O-N 2.92Å; S2-I5 PolarHBondContact O-N 2.92Å
3	Q	64.4	Low	64.9	Low	164 Å²	164	117.9 Å²	117.9	77%	0.766	61%	0.607	S	S	*	*	H	α-helix	trans	-46.8	-28	174.5	-80.5	174.5	-33.6	0	0	112.9	I5 E6 V7	Q3-I5 PolarHBondContact O-N 3.16Å; Q3-E6 PolarHBondContact O-N 3.43Å; Q3-V7 WeakPolarHBondContact O-CG2 3.49Å; Q3-V7 PolarHBondContact O-N 3.44Å; Q3-V7 VanDerWaalsContact O-N 3.16Å
4	S	59.6	Low	65.1	Low	88 Å²	88	123.1 Å²	123.1	62%	0.615	62%	0.615	S	S	*	*	H	α-helix	trans	-60.3	-37.6	176.6	-32.7	0	0	0	0	113.9	S2 L8	S2-S4 PolarHBondContact O-N 2.92Å; S4-L8 PolarHBondContact O-N 3.14Å; S4-L8 VanDerWaalsContact O-N 3.14Å
5	I	68.8	Low	64.9	Low	98 Å²	98	121 Å²	121	50%	0.503	61%	0.607	S	S	.	*	H	α-helix	trans	-74.3	-37.1	-178.9	-70	174.8	0	0	0	111.1	S2 Q3 L8 N9	S2-I5 PolarHBondContact O-N 2.92Å; Q3-I5 PolarHBondContact O-N 3.16Å; I5-L8 PolarHBondContact O-N 2.98Å; I5-N9 WeakPolarHBondContact O-CB 3.34Å; I5-N9 PolarHBondContact O-N 3.47Å
6	E	68.1	Low	65	Low	136 Å²	136	121.3 Å²	121.3	64%	0.636	60%	0.603	S	S	*	*	H	α-helix	trans	-67.6	-41.9	178.4	-127.3	168.8	-172.2	0	0	111.5	Q3 L8 N9 L10	Q3-E6 PolarHBondContact O-N 3.43Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 3.32Å; E6-N9 PolarHBondContact O-N 2.92Å; E6-L10 WeakPolarHBondContact O-CG 3.38Å; E6-L10 PolarHBondContact O-N 3.33Å
7	V	69.1	Low	65.1	Low	77 Å²	77	120.5 Å²	120.5	47%	0.467	60%	0.597	S	S	.	*	H	α-helix	trans	-63	-39.5	173.3	173.1	0	0	0	0	111.4	Q3 R11	Q3-V7 WeakPolarHBondContact O-CG2 3.49Å; Q3-V7 PolarHBondContact O-N 3.44Å; Q3-V7 VanDerWaalsContact O-N 3.16Å; V7-R11 WeakPolarHBondContact O-CG 3.34Å; V7-R11 PolarHBondContact O-N 2.87Å
8	L	65.6	Low	65.1	Low	113 Å²	113	122.1 Å²	122.1	59%	0.592	60%	0.597	S	S	*	*	H	α-helix	trans	-65.4	-44.3	176.2	-164.1	77.6	0	0	0	111.1	S4 I5 E6 L10 R11 T12	S4-L8 PolarHBondContact O-N 3.14Å; S4-L8 VanDerWaalsContact O-N 3.14Å; I5-L8 PolarHBondContact O-N 2.98Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 3.32Å; L8-L10 PolarHBondContact O-N 3.25Å; L8-R11 PolarHBondContact O-N 3.49Å; L8-T12 PolarHBondContact O-N 2.91Å; L8-T12 PolarHBondContact O-OG1 3.04Å
9	N	68.8	Low	65.1	Low	103 Å²	103	120.9 Å²	120.9	55%	0.551	59%	0.592	S	S	*	*	H	α-helix	trans	-63.5	-42.9	179	-165.1	22.5	0	0	0	112	I5 E6 R11 T12 Q13	I5-N9 WeakPolarHBondContact O-CB 3.34Å; I5-N9 PolarHBondContact O-N 3.47Å; E6-N9 PolarHBondContact O-N 2.92Å; N9-R11 VanDerWaalsContact C-N 3.34Å; N9-R11 PolarHBondContact O-N 3.02Å; N9-T12 PolarHBondContact O-N 3.15Å; N9-Q13 WeakPolarHBondContact O-CB 3.43Å; N9-Q13 PolarHBondContact O-N 3.33Å
10	L	69.3	Low	65.2	Low	115 Å²	115	120.2 Å²	120.2	60%	0.602	59%	0.589	S	S	*	*	H	α-helix	trans	-62.9	-38.5	175	-73.5	169.3	0	0	0	112.4	E6 L8 R14	E6-L10 WeakPolarHBondContact O-CG 3.38Å; E6-L10 PolarHBondContact O-N 3.33Å; L8-L10 PolarHBondContact O-N 3.25Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 3.39Å
11	R	65.9	Low	65.3	Low	165 Å²	165	122.7 Å²	122.7	62%	0.623	59%	0.592	S	S	*	*	H	α-helix	trans	-64.8	-49.4	173	-79.5	-178.5	178.4	-174.9	-0.1	111.4	V7 L8 N9 Q13 R14 D15	V7-R11 WeakPolarHBondContact O-CG 3.34Å; V7-R11 PolarHBondContact O-N 2.87Å; L8-R11 PolarHBondContact O-N 3.49Å; N9-R11 VanDerWaalsContact C-N 3.34Å; N9-R11 PolarHBondContact O-N 3.02Å; R11-Q13 VanDerWaalsContact C-N 3.29Å; R11-Q13 PolarHBondContact O-N 3.31Å; R11-R14 WeakPolarHBondContact O-CB 3.28Å; R11-R14 PolarHBondContact O-N 2.81Å; R11-R14 VanDerWaalsContact O-N 3.15Å; R11-D15 WeakPolarHBondContact O-CB 3.47Å; R11-D15 PolarHBondContact O-N 3Å
12	T	66.9	Low	65.7	Low	79 Å²	79	116 Å²	116	49%	0.485	56%	0.559	S	S	.	*	H	α-helix	trans	-59.7	-40.4	178.6	-54	0	0	0	0	111.7	L8 N9 D15 F16	L8-T12 PolarHBondContact O-N 2.91Å; L8-T12 PolarHBondContact O-OG1 3.04Å; N9-T12 PolarHBondContact O-N 3.15Å; T12-D15 PolarHBondContact O-N 2.92Å; T12-F16 VanDerWaalsContact O-CB 3.28Å; T12-F16 WeakPolarHBondContact O-CB 3.46Å; T12-F16 PolarHBondContact O-N 2.86Å
13	Q	67.6	Low	66.1	Low	108 Å²	108	117.2 Å²	117.2	51%	0.505	56%	0.557	S	S	.	*	H	α-helix	trans	-69	-37.9	178.2	-164.9	169.2	7.1	0	0	112	N9 R11 Q17	N9-Q13 WeakPolarHBondContact O-CB 3.43Å; N9-Q13 PolarHBondContact O-N 3.33Å; R11-Q13 VanDerWaalsContact C-N 3.29Å; R11-Q13 PolarHBondContact O-N 3.31Å; Q13-Q17 WeakPolarHBondContact O-CG 3.44Å; Q13-Q17 PolarHBondContact O-N 3.45Å
14	R	68.2	Low	66.4	Low	190 Å²	190	113.1 Å²	113.1	72%	0.717	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-44.3	172.1	178.2	-178.2	163.6	173.1	-3.5	111.6	L10 R11 F16 Q17 Y18	L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 3.39Å; R11-R14 WeakPolarHBondContact O-CB 3.28Å; R11-R14 PolarHBondContact O-N 2.81Å; R11-R14 VanDerWaalsContact O-N 3.15Å; R14-F16 VanDerWaalsContact C-N 3.33Å; R14-Q17 PolarHBondContact O-N 2.83Å; R14-Y18 WeakPolarHBondContact O-CB 3.42Å; R14-Y18 PolarHBondContact O-N 2.92Å
15	D	61.1	Low	66.7	Low	92 Å²	92	114.9 Å²	114.9	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-66.1	-38.6	178.9	-67.3	-17.8	0	0	0	110.7	R11 T12 Y18 I19	R11-D15 WeakPolarHBondContact O-CB 3.47Å; R11-D15 PolarHBondContact O-N 3Å; T12-D15 PolarHBondContact O-N 2.92Å; D15-Y18 WeakPolarHBondContact O-CB 3.39Å; D15-Y18 PolarHBondContact O-N 3.31Å; D15-I19 VanDerWaalsContact O-CG1 3.31Å; D15-I19 WeakPolarHBondContact O-CG1 3.37Å; D15-I19 PolarHBondContact O-N 3.11Å
16	F	66.8	Low	66.6	Low	125 Å²	125	114.5 Å²	114.5	55%	0.548	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-44	173.8	-172	-99	0	0	0	112.2	T12 R14 Y18 I19 M20	T12-F16 VanDerWaalsContact O-CB 3.28Å; T12-F16 WeakPolarHBondContact O-CB 3.46Å; T12-F16 PolarHBondContact O-N 2.86Å; R14-F16 VanDerWaalsContact C-N 3.33Å; F16-Y18 VanDerWaalsContact C-N 3.27Å; F16-Y18 PolarHBondContact O-N 2.95Å; F16-I19 PolarHBondContact O-N 3.2Å; F16-M20 HydrophobicContact CD1-CG 4.1Å; F16-M20 HydrophobicContact CE1-CE 4.5Å; F16-M20 HydrophobicContact CE1-CG 3.78Å; F16-M20 HydrophobicContact CE1-SD 4.02Å; F16-M20 HydrophobicContact CZ-CG 4.14Å; F16-M20 HydrophobicContact CZ-SD 4.22Å; F16-M20 WeakPolarHBondContact O-CB 3.28Å; F16-M20 VanDerWaalsContact O-CG 3.28Å; F16-M20 WeakPolarHBondContact O-CG 3.47Å; F16-M20 PolarHBondContact O-N 3.4Å
17	Q	66.9	Low	66.7	Low	108 Å²	108	114 Å²	114	51%	0.505	54%	0.539	S	S	.	.	H	α-helix	trans	-62.8	-35.4	173.3	-76.2	-173.1	-2.4	0	0	112.3	Q13 R14 R21	Q13-Q17 WeakPolarHBondContact O-CG 3.44Å; Q13-Q17 PolarHBondContact O-N 3.45Å; R14-Q17 PolarHBondContact O-N 2.83Å; Q17-R21 WeakPolarHBondContact O-CG 3.39Å; Q17-R21 PolarHBondContact O-N 3.33Å; Q17-R21 VanDerWaalsContact O-N 3.11Å
18	Y	64.2	Low	66.6	Low	149 Å²	149	111.8 Å²	111.8	58%	0.584	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-45.6	175.3	-171	-94.6	0	0	0	111.5	R14 D15 F16 M20 R21 M22	R14-Y18 WeakPolarHBondContact O-CB 3.42Å; R14-Y18 PolarHBondContact O-N 2.92Å; D15-Y18 WeakPolarHBondContact O-CB 3.39Å; D15-Y18 PolarHBondContact O-N 3.31Å; F16-Y18 VanDerWaalsContact C-N 3.27Å; F16-Y18 PolarHBondContact O-N 2.95Å; Y18-M20 PolarHBondContact O-N 3.28Å; Y18-R21 PolarHBondContact O-N 3.5Å; Y18-M22 HydrophobicContact CD1-CG 4.14Å; Y18-M22 HydrophobicContact CE1-CE 4.2Å; Y18-M22 HydrophobicContact CE1-CG 3.86Å; Y18-M22 HydrophobicContact CE1-SD 3.75Å; Y18-M22 WeakPolarHBondContact O-CG 3.31Å; Y18-M22 PolarHBondContact O-N 2.87Å
19	I	66.3	Low	66.5	Low	100 Å²	100	112.1 Å²	112.1	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-61.6	-44.8	176.4	-69.9	168.3	0	0	0	111.1	D15 F16 R21 M22 E23	D15-I19 VanDerWaalsContact O-CG1 3.31Å; D15-I19 WeakPolarHBondContact O-CG1 3.37Å; D15-I19 PolarHBondContact O-N 3.11Å; F16-I19 PolarHBondContact O-N 3.2Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 3.48Å; I19-M22 PolarHBondContact O-N 2.86Å; I19-M22 VanDerWaalsContact O-N 3.15Å; I19-E23 PolarHBondContact O-N 3.15Å
20	M	65.9	Low	66.3	Low	107 Å²	107	115.1 Å²	115.1	53%	0.527	54%	0.537	S	S	.	.	H	α-helix	trans	-59.8	-40.7	177	-75.1	-106.1	-67.2	0	0	112.4	F16 Y18 E23 S24	F16-M20 HydrophobicContact CD1-CG 4.1Å; F16-M20 HydrophobicContact CE1-CE 4.5Å; F16-M20 HydrophobicContact CE1-CG 3.78Å; F16-M20 HydrophobicContact CE1-SD 4.02Å; F16-M20 HydrophobicContact CZ-CG 4.14Å; F16-M20 HydrophobicContact CZ-SD 4.22Å; F16-M20 WeakPolarHBondContact O-CB 3.28Å; F16-M20 VanDerWaalsContact O-CG 3.28Å; F16-M20 WeakPolarHBondContact O-CG 3.47Å; F16-M20 PolarHBondContact O-N 3.4Å; Y18-M20 PolarHBondContact O-N 3.28Å; M20-E23 PolarHBondContact O-N 3.01Å; M20-S24 PolarHBondContact O-N 3.37Å; M20-S24 VanDerWaalsContact O-N 3.14Å
21	R	68.6	Low	66.2	Low	172 Å²	172	112.8 Å²	112.8	65%	0.649	53%	0.53	S	S	*	.	H	α-helix	trans	-66.5	-41.4	174.6	-73.7	178.8	-172.3	178.1	4.5	111.7	Q17 Y18 I19 E23 S24 Q25	Q17-R21 WeakPolarHBondContact O-CG 3.39Å; Q17-R21 PolarHBondContact O-N 3.33Å; Q17-R21 VanDerWaalsContact O-N 3.11Å; Y18-R21 PolarHBondContact O-N 3.5Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 3.48Å; R21-E23 VanDerWaalsContact C-N 3.33Å; R21-E23 PolarHBondContact O-N 3.39Å; R21-S24 WeakPolarHBondContact O-CB 3.41Å; R21-S24 PolarHBondContact O-N 3.14Å; R21-Q25 WeakPolarHBondContact O-CG 3.35Å; R21-Q25 PolarHBondContact O-N 3.43Å
22	M	61.8	Low	66.2	Low	79 Å²	79	111.6 Å²	111.6	39%	0.389	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-38.4	175.6	-70.4	-132.7	-57.9	0	0	112.2	Y18 I19 S24 Q25 I26	Y18-M22 HydrophobicContact CD1-CG 4.14Å; Y18-M22 HydrophobicContact CE1-CE 4.2Å; Y18-M22 HydrophobicContact CE1-CG 3.86Å; Y18-M22 HydrophobicContact CE1-SD 3.75Å; Y18-M22 WeakPolarHBondContact O-CG 3.31Å; Y18-M22 PolarHBondContact O-N 2.87Å; I19-M22 PolarHBondContact O-N 2.86Å; I19-M22 VanDerWaalsContact O-N 3.15Å; M22-S24 PolarHBondContact O-N 2.83Å; M22-Q25 PolarHBondContact O-N 3.35Å; M22-I26 WeakPolarHBondContact O-CB 3.27Å; M22-I26 VanDerWaalsContact O-CG1 3.27Å; M22-I26 WeakPolarHBondContact O-CG1 3.45Å; M22-I26 PolarHBondContact O-N 3.5Å
23	E	65.4	Low	65.9	Low	93 Å²	93	114.8 Å²	114.8	44%	0.435	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-42.2	177.5	-162.3	-165	151.8	0	0	111.7	I19 M20 R21 Q25 I26 K27	I19-E23 PolarHBondContact O-N 3.15Å; M20-E23 PolarHBondContact O-N 3.01Å; R21-E23 VanDerWaalsContact C-N 3.33Å; R21-E23 PolarHBondContact O-N 3.39Å; E23-Q25 VanDerWaalsContact C-N 3.35Å; E23-Q25 PolarHBondContact O-N 3.22Å; E23-I26 PolarHBondContact O-N 2.99Å; E23-K27 WeakPolarHBondContact O-CB 3.43Å; E23-K27 WeakPolarHBondContact O-CG 3.45Å; E23-K27 PolarHBondContact O-N 3.27Å; E23-K27 WeakPolarHBondContact OE1-CE 3.37Å; E23-K27 IonicContact OE1-NZ 2.68Å; E23-K27 PolarHBondContact OE1-NZ 2.91Å
24	S	68.9	Low	66.1	Low	79 Å²	79	118.4 Å²	118.4	55%	0.552	55%	0.546	S	S	*	.	H	α-helix	trans	-57.2	-46.3	171.3	156.6	0	0	0	0	111.7	M20 R21 M22 K27 G28	M20-S24 PolarHBondContact O-N 3.37Å; M20-S24 VanDerWaalsContact O-N 3.14Å; R21-S24 WeakPolarHBondContact O-CB 3.41Å; R21-S24 PolarHBondContact O-N 3.14Å; M22-S24 PolarHBondContact O-N 2.83Å; S24-K27 PolarHBondContact O-N 3.4Å; S24-G28 PolarHBondContact O-N 3.5Å
25	Q	66.5	Low	66	Low	125 Å²	125	115.3 Å²	115.3	58%	0.584	54%	0.539	S	S	*	.	H	α-helix	trans	-65.4	-41.2	178.1	-72.3	175.3	-32.8	0	0	112.2	R21 M22 E23 G28 L29	R21-Q25 WeakPolarHBondContact O-CG 3.35Å; R21-Q25 PolarHBondContact O-N 3.43Å; M22-Q25 PolarHBondContact O-N 3.35Å; E23-Q25 VanDerWaalsContact C-N 3.35Å; E23-Q25 PolarHBondContact O-N 3.22Å; Q25-G28 CarbonylContact O-C 3.5Å; Q25-G28 PolarHBondContact O-N 2.68Å; Q25-L29 PolarHBondContact O-N 2.91Å
26	I	66.4	Low	66.1	Low	89 Å²	89	116 Å²	116	46%	0.456	54%	0.542	S	S	.	.	H	α-helix	trans	-65.1	-41.4	177	-72.2	167.5	0	0	0	110.9	M22 E23 G28 L29 R30	M22-I26 WeakPolarHBondContact O-CB 3.27Å; M22-I26 VanDerWaalsContact O-CG1 3.27Å; M22-I26 WeakPolarHBondContact O-CG1 3.45Å; M22-I26 PolarHBondContact O-N 3.5Å; E23-I26 PolarHBondContact O-N 2.99Å; I26-G28 VanDerWaalsContact C-N 3.34Å; I26-L29 PolarHBondContact O-N 3.36Å; I26-R30 WeakPolarHBondContact O-CG 3.34Å; I26-R30 PolarHBondContact O-N 2.82Å
27	K	70.1	Confident	65.9	Low	127 Å²	127	114.5 Å²	114.5	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-61.2	-43.3	173.8	-79.5	170.9	170.7	162.7	0	111.2	E23 S24 R30 S31	E23-K27 WeakPolarHBondContact O-CB 3.43Å; E23-K27 WeakPolarHBondContact O-CG 3.45Å; E23-K27 PolarHBondContact O-N 3.27Å; E23-K27 WeakPolarHBondContact OE1-CE 3.37Å; E23-K27 IonicContact OE1-NZ 2.68Å; E23-K27 PolarHBondContact OE1-NZ 2.91Å; S24-K27 PolarHBondContact O-N 3.4Å; K27-R30 PolarHBondContact O-N 2.87Å; K27-S31 PolarHBondContact O-N 3.2Å; K27-S31 VanDerWaalsContact O-N 3.07Å
28	G	67.1	Low	66	Low	29 Å²	29	112.5 Å²	112.5	30%	0.299	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-34.5	174.1	0	0	0	0	0	113.9	S24 Q25 I26 S31 K32	S24-G28 PolarHBondContact O-N 3.5Å; Q25-G28 CarbonylContact O-C 3.5Å; Q25-G28 PolarHBondContact O-N 2.68Å; I26-G28 VanDerWaalsContact C-N 3.34Å; G28-S31 PolarHBondContact O-OG 3.34Å; G28-K32 WeakPolarHBondContact O-CG 3.44Å; G28-K32 PolarHBondContact O-N 2.91Å
29	L	63.7	Low	66.1	Low	120 Å²	120	109.7 Å²	109.7	63%	0.628	53%	0.53	S	S	*	.	H	α-helix	trans	-68.9	-41.8	174.3	-123.7	96.9	0	0	0	111.3	Q25 I26 K32 F33	Q25-L29 PolarHBondContact O-N 2.91Å; I26-L29 PolarHBondContact O-N 3.36Å; L29-K32 PolarHBondContact O-N 3.07Å; L29-F33 WeakPolarHBondContact O-CB 3.47Å; L29-F33 PolarHBondContact O-N 3.26Å
30	R	65.2	Low	66.1	Low	167 Å²	167	112.9 Å²	112.9	63%	0.63	54%	0.535	S	S	*	.	H	α-helix	trans	-63.5	-39.9	177.9	-76.7	179.8	178.2	-159.6	0.1	112.3	I26 K27 F33 R34	I26-R30 WeakPolarHBondContact O-CG 3.34Å; I26-R30 PolarHBondContact O-N 2.82Å; K27-R30 PolarHBondContact O-N 2.87Å; R30-F33 PolarHBondContact O-N 2.94Å; R30-R34 WeakPolarHBondContact O-CG 3.46Å; R30-R34 PolarHBondContact O-N 3.3Å
31	S	67.1	Low	66.1	Low	65 Å²	65	113.8 Å²	113.8	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-44.3	175.7	61.6	0	0	0	0	111.4	K27 G28 F33 R34 Q35	K27-S31 PolarHBondContact O-N 3.2Å; K27-S31 VanDerWaalsContact O-N 3.07Å; G28-S31 PolarHBondContact O-OG 3.34Å; S31-F33 VanDerWaalsContact C-N 3.31Å; S31-F33 PolarHBondContact O-N 3.46Å; S31-R34 PolarHBondContact O-N 3.04Å; S31-Q35 WeakPolarHBondContact O-CB 3.34Å; S31-Q35 PolarHBondContact O-N 3.4Å
32	K	65.8	Low	66	Low	140 Å²	140	109.6 Å²	109.6	61%	0.609	53%	0.53	S	S	*	.	H	α-helix	trans	-59.2	-41	173.4	-73.4	178.1	179.5	-175.5	0	112.3	G28 L29 Q35 I36	G28-K32 WeakPolarHBondContact O-CG 3.44Å; G28-K32 PolarHBondContact O-N 2.91Å; L29-K32 PolarHBondContact O-N 3.07Å; K32-Q35 PolarHBondContact O-N 2.88Å; K32-I36 WeakPolarHBondContact O-CB 3.25Å; K32-I36 VanDerWaalsContact O-CG1 3.25Å; K32-I36 WeakPolarHBondContact O-CG1 3.49Å; K32-I36 PolarHBondContact O-N 3.29Å
33	F	61.2	Low	66.1	Low	146 Å²	146	110.6 Å²	110.6	64%	0.64	54%	0.536	S	S	*	.	H	α-helix	trans	-65.1	-43.1	178.6	-140.6	-84.8	0	0	0	112	L29 R30 S31 Q35 I36 E37	L29-F33 WeakPolarHBondContact O-CB 3.47Å; L29-F33 PolarHBondContact O-N 3.26Å; R30-F33 PolarHBondContact O-N 2.94Å; S31-F33 VanDerWaalsContact C-N 3.31Å; S31-F33 PolarHBondContact O-N 3.46Å; F33-Q35 VanDerWaalsContact C-N 3.31Å; F33-Q35 PolarHBondContact O-N 3.39Å; F33-I36 PolarHBondContact O-N 2.89Å; F33-E37 WeakPolarHBondContact O-CB 3.44Å; F33-E37 PolarHBondContact O-N 3.42Å
34	R	70.4	Confident	65.7	Low	185 Å²	185	110 Å²	110	70%	0.698	54%	0.539	S	S	*	.	H	α-helix	trans	-63.1	-38	173.9	-73.5	-177.7	-171.9	177.1	1.6	112.3	R30 S31 E37 S38	R30-R34 WeakPolarHBondContact O-CG 3.46Å; R30-R34 PolarHBondContact O-N 3.3Å; S31-R34 PolarHBondContact O-N 3.04Å; R34-E37 PolarHBondContact O-N 3.33Å; R34-S38 WeakPolarHBondContact O-CB 3.43Å; R34-S38 PolarHBondContact O-N 2.95Å
35	Q	67.1	Low	65.3	Low	124 Å²	124	111.4 Å²	111.4	58%	0.579	54%	0.54	S	S	*	.	H	α-helix	trans	-66.7	-46.7	177.2	-168.8	163.6	7.6	0	0	111.1	S31 K32 F33 E37 S38 D39	S31-Q35 WeakPolarHBondContact O-CB 3.34Å; S31-Q35 PolarHBondContact O-N 3.4Å; K32-Q35 PolarHBondContact O-N 2.88Å; F33-Q35 VanDerWaalsContact C-N 3.31Å; F33-Q35 PolarHBondContact O-N 3.39Å; Q35-E37 VanDerWaalsContact C-N 3.28Å; Q35-E37 PolarHBondContact O-N 2.82Å; Q35-S38 WeakPolarHBondContact O-CB 3.29Å; Q35-S38 PolarHBondContact O-N 3.49Å; Q35-D39 WeakPolarHBondContact O-CB 3.42Å; Q35-D39 PolarHBondContact O-N 3.05Å
36	I	63.3	Low	64.9	Low	107 Å²	107	112.7 Å²	112.7	55%	0.549	54%	0.544	S	S	.	.	H	α-helix	trans	-58.6	-40	173.9	-69.3	165.6	0	0	0	111.4	K32 F33 D39 R40	K32-I36 WeakPolarHBondContact O-CB 3.25Å; K32-I36 VanDerWaalsContact O-CG1 3.25Å; K32-I36 WeakPolarHBondContact O-CG1 3.49Å; K32-I36 PolarHBondContact O-N 3.29Å; F33-I36 PolarHBondContact O-N 2.89Å; I36-D39 PolarHBondContact O-N 3.4Å; I36-R40 VanDerWaalsContact O-CB 3.29Å; I36-R40 WeakPolarHBondContact O-CB 3.43Å; I36-R40 PolarHBondContact O-N 2.95Å
37	E	63.1	Low	64	Low	94 Å²	94	113 Å²	113	44%	0.439	55%	0.546	S	S	.	.	H	α-helix	trans	-68.6	-38.7	178.1	-166.7	178.1	177.7	0	0	112.5	F33 R34 Q35 K41	F33-E37 WeakPolarHBondContact O-CB 3.44Å; F33-E37 PolarHBondContact O-N 3.42Å; R34-E37 PolarHBondContact O-N 3.33Å; Q35-E37 VanDerWaalsContact C-N 3.28Å; Q35-E37 PolarHBondContact O-N 2.82Å; E37-K41 PolarHBondContact O-N 2.69Å
38	S	67.9	Low	62.9	Low	66 Å²	66	113.7 Å²	113.7	46%	0.462	55%	0.55	S	S	.	.	H	α-helix	trans	-63.7	-47.6	172.4	-178	0	0	0	0	111.4	R34 Q35 R40 K41 T42	R34-S38 WeakPolarHBondContact O-CB 3.43Å; R34-S38 PolarHBondContact O-N 2.95Å; Q35-S38 WeakPolarHBondContact O-CB 3.29Å; Q35-S38 PolarHBondContact O-N 3.49Å; S38-R40 VanDerWaalsContact C-N 3.31Å; S38-R40 PolarHBondContact O-N 3.22Å; S38-K41 PolarHBondContact O-N 3.41Å; S38-T42 PolarHBondContact O-N 3.17Å; S38-T42 PolarHBondContact O-OG1 2.95Å
39	D	67.5	Low	62.1	Low	90 Å²	90	119.4 Å²	119.4	48%	0.481	57%	0.568	S	S	.	*	H	α-helix	trans	-62.8	-39.3	178.8	-65.5	-19.2	0	0	0	110.9	Q35 I36 T42 L43	Q35-D39 WeakPolarHBondContact O-CB 3.42Å; Q35-D39 PolarHBondContact O-N 3.05Å; I36-D39 PolarHBondContact O-N 3.4Å; D39-T42 PolarHBondContact O-N 3.4Å; D39-L43 WeakPolarHBondContact O-CB 3.43Å; D39-L43 PolarHBondContact O-N 3.45Å
40	R	65.3	Low	61.4	Low	166 Å²	166	117.9 Å²	117.9	63%	0.626	56%	0.561	S	S	*	*	H	α-helix	trans	-62.7	-45.5	174.1	-165.6	-176.9	86.2	106.4	-1.1	112.2	I36 S38 T42 L43 V44	I36-R40 VanDerWaalsContact O-CB 3.29Å; I36-R40 WeakPolarHBondContact O-CB 3.43Å; I36-R40 PolarHBondContact O-N 2.95Å; S38-R40 VanDerWaalsContact C-N 3.31Å; S38-R40 PolarHBondContact O-N 3.22Å; R40-T42 VanDerWaalsContact C-N 3.29Å; R40-T42 PolarHBondContact O-N 2.95Å; R40-L43 PolarHBondContact O-N 2.84Å; R40-V44 VanDerWaalsContact O-CG2 3.26Å; R40-V44 WeakPolarHBondContact O-CG2 3.33Å; R40-V44 PolarHBondContact O-N 3.31Å
41	K	65.9	Low	60.4	Low	127 Å²	127	114.9 Å²	114.9	55%	0.552	56%	0.557	S	S	*	*	H	α-helix	trans	-61.7	-40	175.7	-79.6	179.9	179.3	174.2	0	111.5	E37 S38 V44 N45	E37-K41 PolarHBondContact O-N 2.69Å; S38-K41 PolarHBondContact O-N 3.41Å; K41-V44 PolarHBondContact O-N 2.88Å; K41-N45 WeakPolarHBondContact O-CB 3.26Å; K41-N45 PolarHBondContact O-N 3.42Å
42	T	67.1	Low	59.3	Low	83 Å²	83	117.2 Å²	117.2	51%	0.509	56%	0.559	S	S	.	*	H	α-helix	trans	-68	-42.1	179.6	-44.8	0	0	0	0	111.1	S38 D39 R40 N45 K46	S38-T42 PolarHBondContact O-N 3.17Å; S38-T42 PolarHBondContact O-OG1 2.95Å; D39-T42 PolarHBondContact O-N 3.4Å; R40-T42 VanDerWaalsContact C-N 3.29Å; R40-T42 PolarHBondContact O-N 2.95Å; T42-N45 PolarHBondContact O-N 2.98Å; T42-K46 WeakPolarHBondContact O-CB 3.34Å; T42-K46 PolarHBondContact O-N 3.48Å
43	L	62.1	Low	58.3	Low	101 Å²	101	112.2 Å²	112.2	53%	0.529	55%	0.547	S	S	.	.	H	α-helix	trans	-64.4	-43.4	175.6	-175.2	66.9	0	0	0	112.1	D39 R40 K46 N47	D39-L43 WeakPolarHBondContact O-CB 3.43Å; D39-L43 PolarHBondContact O-N 3.45Å; R40-L43 PolarHBondContact O-N 2.84Å; L43-K46 PolarHBondContact O-N 2.86Å; L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 PolarHBondContact O-N 2.9Å; L43-N47 PolarHBondContact O-OD1 2.76Å
44	V	58.2	Low	57.5	Low	81 Å²	81	110.6 Å²	110.6	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-63.9	-43.1	176.6	172.3	0	0	0	0	110.9	R40 K41 N47 F48	R40-V44 VanDerWaalsContact O-CG2 3.26Å; R40-V44 WeakPolarHBondContact O-CG2 3.33Å; R40-V44 PolarHBondContact O-N 3.31Å; K41-V44 PolarHBondContact O-N 2.88Å; V44-N47 PolarHBondContact O-N 3.36Å; V44-F48 WeakPolarHBondContact O-CB 3.36Å; V44-F48 PolarHBondContact O-N 3.46Å
45	N	59.4	Low	56.3	Low	108 Å²	108	108.1 Å²	108.1	58%	0.578	54%	0.538	S	S	*	.	H	α-helix	trans	-64.2	-40.8	175.4	-78.9	-9.8	0	0	0	112.3	K41 T42 F48 Q49	K41-N45 WeakPolarHBondContact O-CB 3.26Å; K41-N45 PolarHBondContact O-N 3.42Å; T42-N45 PolarHBondContact O-N 2.98Å; N45-F48 PolarHBondContact O-N 3.41Å; N45-Q49 WeakPolarHBondContact O-CG 3.41Å; N45-Q49 PolarHBondContact O-N 2.86Å
46	K	59	Low	55.2	Low	152 Å²	152	107.1 Å²	107.1	66%	0.661	53%	0.533	S	S	*	.	H	α-helix	trans	-65.3	-43.2	176.6	-168.6	177.2	-179.2	-179.4	0	111.6	T42 L43 F48 Q49 D50	T42-K46 WeakPolarHBondContact O-CB 3.34Å; T42-K46 PolarHBondContact O-N 3.48Å; L43-K46 PolarHBondContact O-N 2.86Å; K46-F48 VanDerWaalsContact C-N 3.33Å; K46-F48 PolarHBondContact O-N 3.33Å; K46-Q49 PolarHBondContact O-N 3.49Å; K46-D50 WeakPolarHBondContact O-CB 3.45Å; K46-D50 PolarHBondContact O-N 3.34Å
47	N	48	Very low	54.2	Low	94 Å²	94	105.6 Å²	105.6	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-38.3	175.3	-71.2	-8	0	0	0	111.8	L43 V44 D50 L51	L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 PolarHBondContact O-N 2.9Å; L43-N47 PolarHBondContact O-OD1 2.76Å; V44-N47 PolarHBondContact O-N 3.36Å; N47-D50 PolarHBondContact O-N 2.89Å; N47-L51 WeakPolarHBondContact O-CB 3.45Å; N47-L51 PolarHBondContact O-N 2.86Å
48	F	45.9	Very low	53.2	Low	143 Å²	143	106 Å²	106	63%	0.627	54%	0.536	S	S	*	.	H	α-helix	trans	-67.9	-39.5	176.1	-169.3	-98.2	0	0	0	111.8	V44 N45 K46 L51 K52	V44-F48 WeakPolarHBondContact O-CB 3.36Å; V44-F48 PolarHBondContact O-N 3.46Å; N45-F48 PolarHBondContact O-N 3.41Å; K46-F48 VanDerWaalsContact C-N 3.33Å; K46-F48 PolarHBondContact O-N 3.33Å; F48-L51 PolarHBondContact O-N 3.44Å; F48-K52 VanDerWaalsContact O-CB 3.27Å; F48-K52 WeakPolarHBondContact O-CB 3.35Å; F48-K52 PolarHBondContact O-N 2.89Å
49	Q	51.5	Low	52.2	Low	148 Å²	148	108.8 Å²	108.8	69%	0.692	54%	0.542	S	S	*	.	H	α-helix	trans	-67.7	-37	173.1	-74.1	-152.5	-12	0	0	112.8	N45 K46 K52 G53	N45-Q49 WeakPolarHBondContact O-CG 3.41Å; N45-Q49 PolarHBondContact O-N 2.86Å; K46-Q49 PolarHBondContact O-N 3.49Å; Q49-K52 PolarHBondContact O-N 3.46Å; Q49-G53 PolarHBondContact O-N 2.83Å
50	D	47.8	Very low	51.2	Low	88 Å²	88	108.5 Å²	108.5	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-66.6	-39.9	174.6	-165.2	59.5	0	0	0	111.4	K46 N47 G53 K54	K46-D50 WeakPolarHBondContact O-CB 3.45Å; K46-D50 PolarHBondContact O-N 3.34Å; N47-D50 PolarHBondContact O-N 2.89Å; D50-G53 PolarHBondContact O-N 2.89Å; D50-K54 WeakPolarHBondContact O-CB 3.27Å; D50-K54 WeakPolarHBondContact O-CG 3.33Å; D50-K54 PolarHBondContact O-N 3.42Å; D50-K54 WeakPolarHBondContact OD2-CE 3.48Å; D50-K54 IonicContact OD2-NZ 2.76Å; D50-K54 PolarHBondContact OD2-NZ 2.86Å
51	L	43.9	Very low	50.1	Low	104 Å²	104	104.8 Å²	104.8	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-39.5	173.9	-160.2	78.9	0	0	0	111.7	N47 F48 K54 M55	N47-L51 WeakPolarHBondContact O-CB 3.45Å; N47-L51 PolarHBondContact O-N 2.86Å; F48-L51 PolarHBondContact O-N 3.44Å; L51-K54 PolarHBondContact O-N 2.67Å; L51-M55 PolarHBondContact O-N 3.21Å
52	K	44.2	Very low	49.2	Very low	115 Å²	115	103.7 Å²	103.7	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-64.1	-45.3	174.6	-172.6	179.6	176.9	-171.7	0	111.3	F48 Q49 K54 M55 E56	F48-K52 VanDerWaalsContact O-CB 3.27Å; F48-K52 WeakPolarHBondContact O-CB 3.35Å; F48-K52 PolarHBondContact O-N 2.89Å; Q49-K52 PolarHBondContact O-N 3.46Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K52-K54 PolarHBondContact O-N 3.44Å; K52-M55 PolarHBondContact O-N 3.11Å; K52-E56 WeakPolarHBondContact CE-OE1 3.36Å; K52-E56 WeakPolarHBondContact O-CB 3.45Å; K52-E56 WeakPolarHBondContact O-CG 3.45Å; K52-E56 PolarHBondContact O-N 2.89Å
53	G	45.1	Very low	48.2	Very low	35 Å²	35	103.7 Å²	103.7	36%	0.361	54%	0.538	S	S	.	.	H	α-helix	trans	-62.2	-37.8	174	0	0	0	0	0	112.6	Q49 D50 E56 S57	Q49-G53 PolarHBondContact O-N 2.83Å; D50-G53 PolarHBondContact O-N 2.89Å; G53-E56 PolarHBondContact O-N 3.11Å; G53-S57 WeakPolarHBondContact O-CB 3.34Å; G53-S57 PolarHBondContact O-N 3.36Å
54	K	45.8	Very low	47.3	Very low	111 Å²	111	101.9 Å²	101.9	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-43.3	171.9	-76.5	169.8	178.3	154.5	0	112.1	D50 L51 K52 S57 L58	D50-K54 WeakPolarHBondContact O-CB 3.27Å; D50-K54 WeakPolarHBondContact O-CG 3.33Å; D50-K54 PolarHBondContact O-N 3.42Å; D50-K54 WeakPolarHBondContact OD2-CE 3.48Å; D50-K54 IonicContact OD2-NZ 2.76Å; D50-K54 PolarHBondContact OD2-NZ 2.86Å; L51-K54 PolarHBondContact O-N 2.67Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K52-K54 PolarHBondContact O-N 3.44Å; K54-S57 WeakPolarHBondContact CA-OG 3.21Å; K54-S57 PolarHBondContact O-N 2.84Å; K54-S57 PolarHBondContact O-OG 2.88Å; K54-L58 WeakPolarHBondContact O-CG 3.42Å; K54-L58 PolarHBondContact O-N 3.2Å; K54-L58 VanDerWaalsContact O-N 3.11Å
55	M	43.9	Very low	46.6	Very low	134 Å²	134	103.8 Å²	103.8	66%	0.66	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-43.1	173.8	-85.8	176.4	72.7	0	0	112.1	L51 K52 S57 L58 Q59	L51-M55 PolarHBondContact O-N 3.21Å; K52-M55 PolarHBondContact O-N 3.11Å; M55-S57 VanDerWaalsContact C-N 3.27Å; M55-S57 PolarHBondContact O-N 3.14Å; M55-L58 PolarHBondContact O-N 3.44Å; M55-L58 VanDerWaalsContact O-N 3.14Å; M55-Q59 PolarHBondContact O-N 3.34Å; M55-Q59 VanDerWaalsContact O-N 3.11Å
56	E	45	Very low	46	Very low	103 Å²	103	103.5 Å²	103.5	48%	0.481	53%	0.533	S	S	.	.	H	α-helix	trans	-62.3	-34.5	174.5	-73.4	170.8	-179.2	0	0	111.4	K52 G53 L58 Q59 P60	K52-E56 WeakPolarHBondContact CE-OE1 3.36Å; K52-E56 WeakPolarHBondContact O-CB 3.45Å; K52-E56 WeakPolarHBondContact O-CG 3.45Å; K52-E56 PolarHBondContact O-N 2.89Å; G53-E56 PolarHBondContact O-N 3.11Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 3.17Å; E56-Q59 WeakPolarHBondContact O-CB 3.48Å; E56-Q59 PolarHBondContact O-N 3.39Å; E56-P60 VanDerWaalsContact O-CD 3.32Å; E56-P60 WeakPolarHBondContact O-CD 3.43Å
57	S	41.7	Very low	45.5	Very low	75 Å²	75	99.2 Å²	99.2	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-72.6	-21.6	175.1	77.8	0	0	0	0	114.6	G53 K54 M55 P60	G53-S57 WeakPolarHBondContact O-CB 3.34Å; G53-S57 PolarHBondContact O-N 3.36Å; K54-S57 WeakPolarHBondContact CA-OG 3.21Å; K54-S57 PolarHBondContact O-N 2.84Å; K54-S57 PolarHBondContact O-OG 2.88Å; M55-S57 VanDerWaalsContact C-N 3.27Å; M55-S57 PolarHBondContact O-N 3.14Å; S57-P60 WeakPolarHBondContact O-CD 3.42Å
58	L	41.8	Very low	45.4	Very low	101 Å²	101	102.7 Å²	102.7	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-90	-17.8	176.4	-66.4	172.5	0	0	0	112.3	K54 M55 E56 P60 L61	K54-L58 WeakPolarHBondContact O-CG 3.42Å; K54-L58 PolarHBondContact O-N 3.2Å; K54-L58 VanDerWaalsContact O-N 3.11Å; M55-L58 PolarHBondContact O-N 3.44Å; M55-L58 VanDerWaalsContact O-N 3.14Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 3.17Å; L58-P60 VanDerWaalsContact C-CD 3.48Å; L58-L61 HydrophobicContact CD2-CD1 3.57Å; L58-L61 VanDerWaalsContact O-CB 3.3Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 PolarHBondContact O-N 3.48Å
59	Q	46.1	Very low	45.5	Very low	125 Å²	125	101 Å²	101	58%	0.584	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.7	-179.7	-158.5	170.3	-12.5	0	0	113.6	M55 E56 L61 I62 P63	M55-Q59 PolarHBondContact O-N 3.34Å; M55-Q59 VanDerWaalsContact O-N 3.11Å; E56-Q59 WeakPolarHBondContact O-CB 3.48Å; E56-Q59 PolarHBondContact O-N 3.39Å; Q59-L61 PolarHBondContact O-N 3.44Å; Q59-I62 PolarHBondContact O-N 3.26Å; Q59-P63 WeakPolarHBondContact O-CD 3.47Å
60	P	47.4	Very low	45.6	Very low	85 Å²	85	96.7 Å²	96.7	55%	0.552	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.2	173.2	-20	33.6	0	0	0	114.9	E56 S57 L58 P63	E56-P60 VanDerWaalsContact O-CD 3.32Å; E56-P60 WeakPolarHBondContact O-CD 3.43Å; S57-P60 WeakPolarHBondContact O-CD 3.42Å; L58-P60 VanDerWaalsContact C-CD 3.48Å; P60-P63 WeakPolarHBondContact O-CD 3.32Å
61	L	42.7	Very low	45.6	Very low	87 Å²	87	95.3 Å²	95.3	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-83.7	-16.7	176.5	-62.4	170.1	0	0	0	112.8	L58 Q59 V64 L65	L58-L61 HydrophobicContact CD2-CD1 3.57Å; L58-L61 VanDerWaalsContact O-CB 3.3Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 PolarHBondContact O-N 3.48Å; Q59-L61 PolarHBondContact O-N 3.44Å; L61-V64 WeakPolarHBondContact O-CB 3.3Å; L61-V64 PolarHBondContact O-N 2.91Å; L61-V64 VanDerWaalsContact O-N 3.14Å; L61-L65 PolarHBondContact O-N 3.14Å
62	I	46.7	Very low	46	Very low	104 Å²	104	93 Å²	93	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-61.6	-48.2	177	-65.3	170.8	0	0	0	110.9	Q59 V64 L65 E66	Q59-I62 PolarHBondContact O-N 3.26Å; I62-V64 VanDerWaalsContact C-N 3.26Å; I62-V64 PolarHBondContact O-N 3.31Å; I62-L65 PolarHBondContact O-N 2.96Å; I62-E66 PolarHBondContact O-N 3.48Å
63	P	45.3	Very low	46.6	Very low	83 Å²	83	94.2 Å²	94.2	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-56.5	-37.6	170.6	-25.1	32.2	0	0	0	113.3	Q59 P60 Q67	Q59-P63 WeakPolarHBondContact O-CD 3.47Å; P60-P63 WeakPolarHBondContact O-CD 3.32Å; P63-Q67 WeakPolarHBondContact O-CB 3.44Å; P63-Q67 PolarHBondContact O-N 2.98Å
64	V	44.4	Very low	47.1	Very low	64 Å²	64	96.1 Å²	96.1	39%	0.388	49%	0.494	S	S	.	.	H	α-helix	trans	-67.8	-38.1	179.8	-178	0	0	0	0	111.8	L61 I62 Q67 Y68	L61-V64 WeakPolarHBondContact O-CB 3.3Å; L61-V64 PolarHBondContact O-N 2.91Å; L61-V64 VanDerWaalsContact O-N 3.14Å; I62-V64 VanDerWaalsContact C-N 3.26Å; I62-V64 PolarHBondContact O-N 3.31Å; V64-Q67 WeakPolarHBondContact O-CB 3.48Å; V64-Q67 PolarHBondContact O-N 2.99Å; V64-Y68 PolarHBondContact O-N 3.25Å
65	L	43.2	Very low	47.3	Very low	120 Å²	120	95.6 Å²	95.6	63%	0.628	50%	0.496	S	S	*	.	H	α-helix	trans	-74	-40.2	177.4	-76.4	168.4	0	0	0	112.5	L61 I62 Q67 Y68 K69	L61-L65 PolarHBondContact O-N 3.14Å; I62-L65 PolarHBondContact O-N 2.96Å; L65-Q67 VanDerWaalsContact C-N 3.28Å; L65-Y68 PolarHBondContact O-N 3.23Å; L65-K69 PolarHBondContact O-N 3.15Å
66	E	46.6	Very low	48.1	Very low	103 Å²	103	92.4 Å²	92.4	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-65.5	-35.3	171.3	-74.4	-62.7	149.7	0	0	110.9	I62 K69 T70	I62-E66 PolarHBondContact O-N 3.48Å; E66-K69 WeakPolarHBondContact O-CB 3.4Å; E66-K69 PolarHBondContact O-N 2.84Å; E66-K69 IonicContact OE1-NZ 3.17Å; E66-K69 PolarHBondContact OE1-NZ 2.88Å; E66-K69 WeakPolarHBondContact OE2-CD 3.4Å; E66-K69 IonicContact OE2-NZ 2.88Å; E66-K69 PolarHBondContact OE2-NZ 3.02Å; E66-T70 PolarHBondContact O-N 3.32Å; E66-T70 PolarHBondContact O-OG1 2.84Å
67	Q	47.7	Very low	49	Very low	61 Å²	61	93.1 Å²	93.1	29%	0.285	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-45.2	172.2	-178.7	166.4	6	0	0	112.6	P63 V64 L65 K69 T70 D71	P63-Q67 WeakPolarHBondContact O-CB 3.44Å; P63-Q67 PolarHBondContact O-N 2.98Å; V64-Q67 WeakPolarHBondContact O-CB 3.48Å; V64-Q67 PolarHBondContact O-N 2.99Å; L65-Q67 VanDerWaalsContact C-N 3.28Å; Q67-K69 PolarHBondContact O-N 3.19Å; Q67-T70 WeakPolarHBondContact CA-OG1 3.13Å; Q67-T70 PolarHBondContact O-N 2.98Å; Q67-T70 PolarHBondContact O-OG1 3.19Å; Q67-D71 WeakPolarHBondContact O-CB 3.32Å; Q67-D71 PolarHBondContact O-N 3.18Å
68	Y	46.2	Very low	49.8	Very low	168 Å²	168	92.8 Å²	92.8	66%	0.659	48%	0.479	S	S	*	.	H	α-helix	trans	-58.1	-31.9	174.5	-112	-85.7	0	0	0	113	V64 L65 A72	V64-Y68 PolarHBondContact O-N 3.25Å; L65-Y68 PolarHBondContact O-N 3.23Å; Y68-A72 VanDerWaalsContact O-CB 3.32Å; Y68-A72 WeakPolarHBondContact O-CB 3.38Å; Y68-A72 PolarHBondContact O-N 3.38Å
69	K	47.8	Very low	50.4	Low	108 Å²	108	93.9 Å²	93.9	47%	0.47	48%	0.48	S	S	.	.	H	α-helix	trans	-78.5	-35.9	179.3	-178.4	-175.9	166.4	-159.1	0	112.1	L65 E66 Q67 K73	L65-K69 PolarHBondContact O-N 3.15Å; E66-K69 WeakPolarHBondContact O-CB 3.4Å; E66-K69 PolarHBondContact O-N 2.84Å; E66-K69 IonicContact OE1-NZ 3.17Å; E66-K69 PolarHBondContact OE1-NZ 2.88Å; E66-K69 WeakPolarHBondContact OE2-CD 3.4Å; E66-K69 IonicContact OE2-NZ 2.88Å; E66-K69 PolarHBondContact OE2-NZ 3.02Å; Q67-K69 PolarHBondContact O-N 3.19Å; K69-K73 PolarHBondContact O-N 3.17Å
70	T	54.5	Low	51.5	Low	57 Å²	57	93.4 Å²	93.4	35%	0.35	48%	0.478	S	S	.	.	H	α-helix	trans	-67.9	-43.5	169.1	8.8	0	0	0	0	111.3	E66 Q67 A72 K73 L74	E66-T70 PolarHBondContact O-N 3.32Å; E66-T70 PolarHBondContact O-OG1 2.84Å; Q67-T70 WeakPolarHBondContact CA-OG1 3.13Å; Q67-T70 PolarHBondContact O-N 2.98Å; Q67-T70 PolarHBondContact O-OG1 3.19Å; T70-A72 VanDerWaalsContact C-N 3.28Å; T70-A72 PolarHBondContact O-N 3.05Å; T70-K73 WeakPolarHBondContact O-CB 3.45Å; T70-K73 PolarHBondContact O-N 2.89Å; T70-L74 PolarHBondContact O-N 3.37Å
71	D	48.5	Very low	52.2	Low	58 Å²	58	95.5 Å²	95.5	31%	0.31	48%	0.48	S	S	.	.	H	α-helix	trans	-58.5	-42	175	-69.2	-16.3	0	0	0	110.7	Q67 K73 L74 I75	Q67-D71 WeakPolarHBondContact O-CB 3.32Å; Q67-D71 PolarHBondContact O-N 3.18Å; D71-K73 VanDerWaalsContact C-N 3.34Å; D71-K73 PolarHBondContact O-N 2.83Å; D71-L74 PolarHBondContact O-N 3.33Å; D71-I75 WeakPolarHBondContact O-CB 3.17Å; D71-I75 WeakPolarHBondContact O-CD1 3.37Å; D71-I75 WeakPolarHBondContact O-CG1 3.38Å; D71-I75 PolarHBondContact O-N 3.42Å
72	A	51.2	Low	52.9	Low	57 Å²	57	95.3 Å²	95.3	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-37.1	174.7	0	0	0	0	0	113.1	Y68 T70 S76	Y68-A72 VanDerWaalsContact O-CB 3.32Å; Y68-A72 WeakPolarHBondContact O-CB 3.38Å; Y68-A72 PolarHBondContact O-N 3.38Å; T70-A72 VanDerWaalsContact C-N 3.28Å; T70-A72 PolarHBondContact O-N 3.05Å; A72-S76 WeakPolarHBondContact O-CB 3.41Å; A72-S76 PolarHBondContact O-N 2.89Å
73	K	58	Low	53.9	Low	140 Å²	140	98.5 Å²	98.5	61%	0.609	48%	0.484	S	S	*	.	H	α-helix	trans	-68.1	-44.2	174.5	-77.9	-178.9	176.6	-178.1	0	111.9	K69 T70 D71 S76 Q77	K69-K73 PolarHBondContact O-N 3.17Å; T70-K73 WeakPolarHBondContact O-CB 3.45Å; T70-K73 PolarHBondContact O-N 2.89Å; D71-K73 VanDerWaalsContact C-N 3.34Å; D71-K73 PolarHBondContact O-N 2.83Å; K73-S76 WeakPolarHBondContact O-CB 3.49Å; K73-S76 PolarHBondContact O-N 3.05Å; K73-S76 VanDerWaalsContact O-N 3.14Å; K73-Q77 WeakPolarHBondContact O-CG 3.33Å; K73-Q77 PolarHBondContact O-N 2.99Å
74	L	54.4	Low	55.1	Low	75 Å²	75	99.7 Å²	99.7	39%	0.393	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-42.4	177.3	-115.2	142.3	0	0	0	111.4	T70 D71 S76 Q77 F78 L122	T70-L74 PolarHBondContact O-N 3.37Å; D71-L74 PolarHBondContact O-N 3.33Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.39Å; L74-Q77 PolarHBondContact O-N 3.4Å; L74-F78 VanDerWaalsContact O-CB 3.28Å; L74-F78 WeakPolarHBondContact O-CB 3.47Å; L74-F78 PolarHBondContact O-N 3.14Å; L74-L122 HydrophobicContact CD2-CD2 3.92Å
75	I	51	Low	55.8	Low	100 Å²	100	100.4 Å²	100.4	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-35.7	173	-70	166.2	0	0	0	111.1	D71 K79	D71-I75 WeakPolarHBondContact O-CB 3.17Å; D71-I75 WeakPolarHBondContact O-CD1 3.37Å; D71-I75 WeakPolarHBondContact O-CG1 3.38Å; D71-I75 PolarHBondContact O-N 3.42Å; I75-K79 WeakPolarHBondContact O-CB 3.42Å; I75-K79 PolarHBondContact O-N 2.89Å
76	S	59.2	Low	56.7	Low	67 Å²	67	97.6 Å²	97.6	47%	0.469	48%	0.477	S	S	.	.	H	α-helix	trans	-68.5	-44	176	-164.7	0	0	0	0	112	A72 K73 L74 F78 K79 E80	A72-S76 WeakPolarHBondContact O-CB 3.41Å; A72-S76 PolarHBondContact O-N 2.89Å; K73-S76 WeakPolarHBondContact O-CB 3.49Å; K73-S76 PolarHBondContact O-N 3.05Å; K73-S76 VanDerWaalsContact O-N 3.14Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.39Å; S76-F78 VanDerWaalsContact C-N 3.34Å; S76-K79 WeakPolarHBondContact O-CB 3.32Å; S76-K79 PolarHBondContact O-N 3.1Å; S76-E80 PolarHBondContact O-N 3.32Å
77	Q	65.4	Low	57.7	Low	117 Å²	117	96.2 Å²	96.2	55%	0.547	48%	0.479	S	S	.	.	H	α-helix	trans	-61.4	-44.2	173.5	-73.9	174.4	-25	0	0	110.9	K73 L74 K79 E80 E81	K73-Q77 WeakPolarHBondContact O-CG 3.33Å; K73-Q77 PolarHBondContact O-N 2.99Å; L74-Q77 PolarHBondContact O-N 3.4Å; Q77-K79 VanDerWaalsContact C-N 3.32Å; Q77-K79 PolarHBondContact O-N 3.03Å; Q77-E80 PolarHBondContact O-N 2.85Å; Q77-E80 VanDerWaalsContact O-N 3.1Å; Q77-E81 PolarHBondContact O-N 3.27Å
78	F	58.1	Low	58.5	Low	68 Å²	68	97.5 Å²	97.5	30%	0.298	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-37.5	176.1	-172.6	-118.4	0	0	0	112.6	L74 S76 E81 I82 L115	L74-F78 VanDerWaalsContact O-CB 3.28Å; L74-F78 WeakPolarHBondContact O-CB 3.47Å; L74-F78 PolarHBondContact O-N 3.14Å; S76-F78 VanDerWaalsContact C-N 3.34Å; F78-E81 PolarHBondContact O-N 2.9Å; F78-I82 HydrophobicContact CD1-CD1 3.76Å; F78-I82 HydrophobicContact CE1-CD1 3.31Å; F78-I82 HydrophobicContact CE1-CG1 4.26Å; F78-I82 HydrophobicContact CE2-CD1 4.2Å; F78-I82 HydrophobicContact CE2-CG1 4.31Å; F78-I82 HydrophobicContact CG-CD1 4.39Å; F78-I82 HydrophobicContact CZ-CD1 3.55Å; F78-I82 HydrophobicContact CZ-CG1 4.09Å; F78-I82 WeakPolarHBondContact O-CB 3.45Å; F78-I82 WeakPolarHBondContact O-CG1 3.47Å; F78-I82 PolarHBondContact O-N 3.41Å; F78-L115 HydrophobicContact CE2-CD1 3.37Å; F78-L115 HydrophobicContact CZ-CD1 3.57Å; F78-L115 HydrophobicContact CZ-CD2 4.19Å
79	K	54.7	Low	58.9	Low	125 Å²	125	92.7 Å²	92.7	54%	0.543	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-38.9	171.9	-95.1	-177.3	174.2	176.8	0	112.5	I75 S76 Q77 R83	I75-K79 WeakPolarHBondContact O-CB 3.42Å; I75-K79 PolarHBondContact O-N 2.89Å; S76-K79 WeakPolarHBondContact O-CB 3.32Å; S76-K79 PolarHBondContact O-N 3.1Å; Q77-K79 VanDerWaalsContact C-N 3.32Å; Q77-K79 PolarHBondContact O-N 3.03Å; K79-R83 WeakPolarHBondContact O-CB 3.43Å; K79-R83 VanDerWaalsContact O-CG 3.32Å; K79-R83 WeakPolarHBondContact O-CG 3.36Å; K79-R83 PolarHBondContact O-N 2.86Å
80	E	68.6	Low	59.5	Low	115 Å²	115	92.5 Å²	92.5	54%	0.537	48%	0.478	S	S	.	.	H	α-helix	trans	-69	-42.4	175.1	-77.9	-170.2	154.3	0	0	111.8	S76 Q77 I82 R83 N84	S76-E80 PolarHBondContact O-N 3.32Å; Q77-E80 PolarHBondContact O-N 2.85Å; Q77-E80 VanDerWaalsContact O-N 3.1Å; E80-I82 PolarHBondContact O-N 3.44Å; E80-R83 PolarHBondContact O-N 3.48Å; E80-N84 WeakPolarHBondContact O-CB 3.33Å; E80-N84 VanDerWaalsContact O-CG 3.3Å; E80-N84 PolarHBondContact O-N 3.46Å
81	E	61.8	Low	59.7	Low	128 Å²	128	91.3 Å²	91.3	60%	0.598	48%	0.477	S	S	*	.	H	α-helix	trans	-60.6	-45	174.9	-74.3	-176.5	172.8	0	0	111.6	Q77 F78 R83 N84 L85	Q77-E81 PolarHBondContact O-N 3.27Å; F78-E81 PolarHBondContact O-N 2.9Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 3.09Å; E81-N84 PolarHBondContact O-N 3.33Å; E81-L85 WeakPolarHBondContact O-CB 3.42Å; E81-L85 PolarHBondContact O-N 3.19Å
82	I	58.6	Low	60	Low	84 Å²	84	90.5 Å²	90.5	43%	0.431	47%	0.473	S	S	.	.	H	α-helix	trans	-60.4	-42.8	174.3	-74.4	171.8	0	0	0	111.3	F78 E80 L85 S86	F78-I82 HydrophobicContact CD1-CD1 3.76Å; F78-I82 HydrophobicContact CE1-CD1 3.31Å; F78-I82 HydrophobicContact CE1-CG1 4.26Å; F78-I82 HydrophobicContact CE2-CD1 4.2Å; F78-I82 HydrophobicContact CE2-CG1 4.31Å; F78-I82 HydrophobicContact CG-CD1 4.39Å; F78-I82 HydrophobicContact CZ-CD1 3.55Å; F78-I82 HydrophobicContact CZ-CG1 4.09Å; F78-I82 WeakPolarHBondContact O-CB 3.45Å; F78-I82 WeakPolarHBondContact O-CG1 3.47Å; F78-I82 PolarHBondContact O-N 3.41Å; E80-I82 PolarHBondContact O-N 3.44Å; I82-L85 PolarHBondContact O-N 3.34Å; I82-S86 WeakPolarHBondContact O-CB 3.47Å; I82-S86 PolarHBondContact O-N 2.84Å
83	R	66.6	Low	59.9	Low	170 Å²	170	95.3 Å²	95.3	64%	0.642	49%	0.485	S	S	*	.	H	α-helix	trans	-64.5	-43	178.4	-80.4	175.1	178.7	162.1	-2.3	111.7	K79 E80 E81 L85 S86 S87	K79-R83 WeakPolarHBondContact O-CB 3.43Å; K79-R83 VanDerWaalsContact O-CG 3.32Å; K79-R83 WeakPolarHBondContact O-CG 3.36Å; K79-R83 PolarHBondContact O-N 2.86Å; E80-R83 PolarHBondContact O-N 3.48Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 3.09Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-S86 PolarHBondContact O-N 3.23Å; R83-S87 PolarHBondContact O-N 3.03Å
84	N	70.2	Confident	59.8	Low	109 Å²	109	97 Å²	97	58%	0.583	50%	0.496	S	S	*	.	H	α-helix	trans	-62.9	-43.4	175.4	-71.9	-15.1	0	0	0	110.6	E80 E81 S86 S87 V88	E80-N84 WeakPolarHBondContact O-CB 3.33Å; E80-N84 VanDerWaalsContact O-CG 3.3Å; E80-N84 PolarHBondContact O-N 3.46Å; E81-N84 PolarHBondContact O-N 3.33Å; N84-S86 VanDerWaalsContact C-N 3.34Å; N84-S86 PolarHBondContact O-N 3.48Å; N84-S87 WeakPolarHBondContact O-CB 3.46Å; N84-S87 PolarHBondContact O-N 3.42Å; N84-V88 WeakPolarHBondContact O-CG2 3.28Å; N84-V88 PolarHBondContact O-N 3.14Å
85	L	60	Low	60	Low	78 Å²	78	101.6 Å²	101.6	41%	0.408	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-42.5	176.4	-144.8	91.4	0	0	0	111.9	E81 I82 R83 S87 V88 L89 L111	E81-L85 WeakPolarHBondContact O-CB 3.42Å; E81-L85 PolarHBondContact O-N 3.19Å; I82-L85 PolarHBondContact O-N 3.34Å; R83-L85 VanDerWaalsContact C-N 3.34Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.19Å; L85-V88 PolarHBondContact O-N 2.94Å; L85-L89 WeakPolarHBondContact O-CB 3.34Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.46Å; L85-L111 HydrophobicContact CD1-CD2 4.4Å; L85-L111 HydrophobicContact CD2-CD1 4.35Å
86	S	62.6	Low	59.7	Low	61 Å²	61	100.9 Å²	100.9	43%	0.427	51%	0.511	S	S	.	.	H	α-helix	trans	-66.1	-35.1	177.7	-159.4	0	0	0	0	111.7	I82 R83 N84 M90	I82-S86 WeakPolarHBondContact O-CB 3.47Å; I82-S86 PolarHBondContact O-N 2.84Å; R83-S86 PolarHBondContact O-N 3.23Å; N84-S86 VanDerWaalsContact C-N 3.34Å; N84-S86 PolarHBondContact O-N 3.48Å; S86-M90 WeakPolarHBondContact O-CG 3.43Å; S86-M90 PolarHBondContact O-N 3.32Å; S86-M90 VanDerWaalsContact O-N 3.09Å
87	S	67.3	Low	59.5	Low	74 Å²	74	100.8 Å²	100.8	52%	0.517	52%	0.52	S	S	.	.	H	α-helix	trans	-69.1	-39.7	173.6	-168.1	0	0	0	0	112.1	R83 N84 L85 M90 G91	R83-S87 PolarHBondContact O-N 3.03Å; N84-S87 WeakPolarHBondContact O-CB 3.46Å; N84-S87 PolarHBondContact O-N 3.42Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.19Å; S87-M90 PolarHBondContact O-N 3.41Å; S87-G91 PolarHBondContact O-N 2.84Å
88	V	64.3	Low	58.8	Low	89 Å²	89	100 Å²	100	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-65.5	-42.9	175.5	170	0	0	0	0	110.8	N84 L85 M90 G91 I92	N84-V88 WeakPolarHBondContact O-CG2 3.28Å; N84-V88 PolarHBondContact O-N 3.14Å; L85-V88 PolarHBondContact O-N 2.94Å; V88-M90 VanDerWaalsContact C-N 3.34Å; V88-M90 PolarHBondContact O-N 3.44Å; V88-G91 PolarHBondContact O-N 2.89Å; V88-I92 HydrophobicContact CG1-CD1 3.79Å; V88-I92 VanDerWaalsContact O-CG1 3.26Å; V88-I92 WeakPolarHBondContact O-CG1 3.32Å; V88-I92 PolarHBondContact O-N 3.29Å
89	L	53.6	Low	58.3	Low	66 Å²	66	108.2 Å²	108.2	35%	0.346	56%	0.564	S	S	.	*	H	α-helix	trans	-62.5	-38.4	175.7	-79.1	163.2	0	0	0	112.5	L85 I92 Q93 L104	L85-L89 WeakPolarHBondContact O-CB 3.34Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.46Å; L89-I92 PolarHBondContact O-N 2.92Å; L89-Q93 WeakPolarHBondContact O-CB 3.26Å; L89-Q93 PolarHBondContact O-N 3.49Å; L89-L104 HydrophobicContact CD2-CD1 4.31Å
90	M	60.6	Low	58.3	Low	104 Å²	104	105.1 Å²	105.1	51%	0.512	55%	0.554	S	S	.	*	H	α-helix	trans	-67.8	-41.5	174.9	-77.1	-172.5	-67.8	0	0	112.4	S86 S87 V88 I92 Q93 E94	S86-M90 WeakPolarHBondContact O-CG 3.43Å; S86-M90 PolarHBondContact O-N 3.32Å; S86-M90 VanDerWaalsContact O-N 3.09Å; S87-M90 PolarHBondContact O-N 3.41Å; V88-M90 VanDerWaalsContact C-N 3.34Å; V88-M90 PolarHBondContact O-N 3.44Å; M90-I92 VanDerWaalsContact C-N 3.3Å; M90-I92 PolarHBondContact O-N 3.32Å; M90-Q93 WeakPolarHBondContact O-CB 3.47Å; M90-Q93 PolarHBondContact O-N 2.83Å; M90-E94 PolarHBondContact O-N 3.32Å; M90-E94 VanDerWaalsContact O-N 3.14Å
91	G	60.1	Low	57.4	Low	32 Å²	32	107 Å²	107	33%	0.33	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-38.3	175	0	0	0	0	0	112.8	S87 V88 E94 E95	S87-G91 PolarHBondContact O-N 2.84Å; V88-G91 PolarHBondContact O-N 2.89Å; G91-E94 PolarHBondContact O-N 3.02Å; G91-E95 PolarHBondContact O-N 3.34Å
92	I	53.4	Low	56.8	Low	42 Å²	42	108.4 Å²	108.4	22%	0.215	56%	0.564	C	S	.	*	H	α-helix	trans	-68	-35.7	175.4	-69.7	168.5	0	0	0	111.6	V88 L89 M90 E94 E95 M96 L104	V88-I92 HydrophobicContact CG1-CD1 3.79Å; V88-I92 VanDerWaalsContact O-CG1 3.26Å; V88-I92 WeakPolarHBondContact O-CG1 3.32Å; V88-I92 PolarHBondContact O-N 3.29Å; L89-I92 PolarHBondContact O-N 2.92Å; M90-I92 VanDerWaalsContact C-N 3.3Å; M90-I92 PolarHBondContact O-N 3.32Å; I92-E94 VanDerWaalsContact C-N 3.28Å; I92-E94 PolarHBondContact O-N 3.24Å; I92-E95 PolarHBondContact O-N 3.02Å; I92-M96 HydrophobicContact CG2-CG 4.49Å; I92-M96 HydrophobicContact CG2-SD 3.71Å; I92-M96 WeakPolarHBondContact O-CB 3.46Å; I92-M96 PolarHBondContact O-N 3.27Å; I92-L104 HydrophobicContact CG2-CD1 4.1Å
93	Q	49.3	Very low	56.5	Low	157 Å²	157	108.5 Å²	108.5	73%	0.734	56%	0.562	S	S	*	*	H	α-helix	trans	-67.2	-28	176.3	-173.1	176.7	-11.5	0	0	112.7	L89 M90	L89-Q93 WeakPolarHBondContact O-CB 3.26Å; L89-Q93 PolarHBondContact O-N 3.49Å; M90-Q93 WeakPolarHBondContact O-CB 3.47Å; M90-Q93 PolarHBondContact O-N 2.83Å
94	E	57.1	Low	55.9	Low	177 Å²	177	103.3 Å²	103.3	83%	0.827	55%	0.547	S	S	*	.	H	α-helix	trans	-81.2	-25.8	175.7	-72.1	-177.7	165.1	0	0	113	M90 G91 I92	M90-E94 PolarHBondContact O-N 3.32Å; M90-E94 VanDerWaalsContact O-N 3.14Å; G91-E94 PolarHBondContact O-N 3.02Å; I92-E94 VanDerWaalsContact C-N 3.28Å; I92-E94 PolarHBondContact O-N 3.24Å
95	E	56.8	Low	55.1	Low	171 Å²	171	102.9 Å²	102.9	80%	0.799	54%	0.541	S	S	*	.	H	α-helix	trans	-93.3	-18	-177.1	-75.3	-173.4	159.2	0	0	115.1	G91 I92	G91-E95 PolarHBondContact O-N 3.34Å; I92-E95 PolarHBondContact O-N 3.02Å
96	M	46.3	Very low	54.7	Low	85 Å²	85	105.3 Å²	105.3	42%	0.419	55%	0.551	S	S	.	*			trans	-126	124.3	-163.3	-60.4	-176.4	63.3	0	0	114.6	I92 D100	I92-M96 HydrophobicContact CG2-CG 4.49Å; I92-M96 HydrophobicContact CG2-SD 3.71Å; I92-M96 WeakPolarHBondContact O-CB 3.46Å; I92-M96 PolarHBondContact O-N 3.27Å; M96-D100 HydrophobicContact CE-CB 3.64Å; M96-D100 WeakPolarHBondContact CE-OD2 3.07Å
97	G	55.3	Low	54.4	Low	65 Å²	65	108.9 Å²	108.9	67%	0.67	56%	0.555	S	S	*	*			trans	-74	172.2	174.5	0	0	0	0	0	114.7	Y99	G97-Y99 PolarHBondContact O-N 2.73Å
98	A	50	Low	53.9	Low	101 Å²	101	107.9 Å²	107.9	84%	0.835	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-60	-6.4	-167.5	0	0	0	0	0	118.1
99	Y	47.8	Very low	53.5	Low	240 Å²	240	106.9 Å²	106.9	94%	0.941	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-86.6	-4.7	-175.1	-93.2	-85.8	0	0	0	114.7	G97	G97-Y99 PolarHBondContact O-N 2.73Å
100	D	53.7	Low	53.7	Low	60 Å²	60	108.1 Å²	108.1	32%	0.321	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-113.7	18.6	-174.3	-125.6	-16.4	0	0	0	114.5	M96 E102 E103 L104	M96-D100 HydrophobicContact CE-CB 3.64Å; M96-D100 WeakPolarHBondContact CE-OD2 3.07Å; D100-E102 PolarHBondContact O-N 3.07Å; D100-E103 PolarHBondContact O-N 3.34Å; D100-E103 WeakPolarHBondContact OD1-CB 3.3Å; D100-L104 PolarHBondContact O-N 2.91Å
101	Y	49.2	Very low	53.6	Low	154 Å²	154	106.1 Å²	106.1	60%	0.604	54%	0.535	S	S	*	.	H	α-helix	trans	-62.5	-32	-179.5	-168.6	-106.1	0	0	0	112.5	Q105	Y101-Q105 HydrophobicContact CD1-CG 4.2Å; Y101-Q105 HydrophobicContact CE1-CG 4.01Å; Y101-Q105 WeakPolarHBondContact O-CB 3.41Å; Y101-Q105 VanDerWaalsContact O-CG 3.28Å; Y101-Q105 WeakPolarHBondContact O-CG 3.3Å; Y101-Q105 PolarHBondContact O-N 3.02Å
102	E	50.6	Low	53.5	Low	158 Å²	158	110 Å²	110	74%	0.738	55%	0.545	S	S	*	.	H	α-helix	trans	-69.5	-41.3	175.2	-76.2	-177.3	168.2	0	0	112.3	D100 Q105 Q106	D100-E102 PolarHBondContact O-N 3.07Å; E102-Q105 PolarHBondContact O-N 3.11Å; E102-Q106 WeakPolarHBondContact O-CG 3.49Å; E102-Q106 PolarHBondContact O-N 3.31Å
103	E	52.5	Low	53.8	Low	86 Å²	86	111.3 Å²	111.3	40%	0.402	55%	0.552	S	S	.	*	H	α-helix	trans	-66.9	-40.4	176	-167.1	178.5	158.5	0	0	110.9	D100 Q106 R107	D100-E103 PolarHBondContact O-N 3.34Å; D100-E103 WeakPolarHBondContact OD1-CB 3.3Å; E103-Q106 PolarHBondContact O-N 3.28Å; E103-R107 WeakPolarHBondContact O-CG 3.39Å; E103-R107 PolarHBondContact O-N 3.24Å; E103-R107 IonicContact OE1-CZ 3.23Å; E103-R107 VanDerWaalsContact OE1-CZ 3.23Å; E103-R107 IonicContact OE1-NE 3.19Å; E103-R107 PolarHBondContact OE1-NE 3.36Å; E103-R107 IonicContact OE1-NH2 2.65Å; E103-R107 PolarHBondContact OE1-NH2 2.85Å
104	L	53.7	Low	54.3	Low	61 Å²	61	111.8 Å²	111.8	32%	0.319	55%	0.547	S	S	.	.	H	α-helix	trans	-61.6	-44.1	173.7	-170.1	71.2	0	0	0	111.5	L89 I92 D100 Q106 R107 V108	L89-L104 HydrophobicContact CD2-CD1 4.31Å; I92-L104 HydrophobicContact CG2-CD1 4.1Å; D100-L104 PolarHBondContact O-N 2.91Å; L104-Q106 PolarHBondContact O-N 3Å; L104-R107 PolarHBondContact O-N 3.49Å; L104-V108 WeakPolarHBondContact O-CB 3.47Å; L104-V108 VanDerWaalsContact O-CG2 3.28Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 2.63Å
105	Q	52.3	Low	54.6	Low	100 Å²	100	107 Å²	107	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-60.8	-42.9	175.7	-82.7	-173.3	-21.5	0	0	112.4	Y101 E102 V108 L109	Y101-Q105 HydrophobicContact CD1-CG 4.2Å; Y101-Q105 HydrophobicContact CE1-CG 4.01Å; Y101-Q105 WeakPolarHBondContact O-CB 3.41Å; Y101-Q105 VanDerWaalsContact O-CG 3.28Å; Y101-Q105 WeakPolarHBondContact O-CG 3.3Å; Y101-Q105 PolarHBondContact O-N 3.02Å; E102-Q105 PolarHBondContact O-N 3.11Å; Q105-V108 PolarHBondContact O-N 3.18Å; Q105-L109 WeakPolarHBondContact O-CB 3.5Å; Q105-L109 PolarHBondContact O-N 3.33Å
106	Q	52.2	Low	54.8	Low	129 Å²	129	101.8 Å²	101.8	60%	0.603	50%	0.502	S	S	*	.	H	α-helix	trans	-64	-41.5	177.1	-73.7	-62.1	-31.2	0	0	112.1	E102 E103 L104 L109 N110	E102-Q106 WeakPolarHBondContact O-CG 3.49Å; E102-Q106 PolarHBondContact O-N 3.31Å; E103-Q106 PolarHBondContact O-N 3.28Å; L104-Q106 PolarHBondContact O-N 3Å; Q106-L109 PolarHBondContact O-N 3.48Å; Q106-N110 WeakPolarHBondContact O-CB 3.37Å; Q106-N110 PolarHBondContact O-N 2.87Å
107	R	56.4	Low	55.5	Low	135 Å²	135	99.8 Å²	99.8	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-41.8	176.3	-71.8	178	-177.8	-161.9	2.6	112.1	E103 L104 N110 L111	E103-R107 WeakPolarHBondContact O-CG 3.39Å; E103-R107 PolarHBondContact O-N 3.24Å; E103-R107 IonicContact OE1-CZ 3.23Å; E103-R107 VanDerWaalsContact OE1-CZ 3.23Å; E103-R107 IonicContact OE1-NE 3.19Å; E103-R107 PolarHBondContact OE1-NE 3.36Å; E103-R107 IonicContact OE1-NH2 2.65Å; E103-R107 PolarHBondContact OE1-NH2 2.85Å; L104-R107 PolarHBondContact O-N 3.49Å; R107-N110 PolarHBondContact O-N 3.29Å; R107-L111 WeakPolarHBondContact O-CG 3.28Å; R107-L111 PolarHBondContact O-N 3.25Å
108	V	56.1	Low	55.9	Low	54 Å²	54	99.8 Å²	99.8	33%	0.327	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-45.4	175.3	170	0	0	0	0	110.8	L104 Q105 N110 L111 E112	L104-V108 WeakPolarHBondContact O-CB 3.47Å; L104-V108 VanDerWaalsContact O-CG2 3.28Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 2.63Å; Q105-V108 PolarHBondContact O-N 3.18Å; V108-N110 VanDerWaalsContact C-N 3.32Å; V108-N110 PolarHBondContact O-N 2.9Å; V108-L111 PolarHBondContact O-N 3.2Å; V108-E112 HydrophobicContact CG1-CG 4.48Å; V108-E112 WeakPolarHBondContact O-CG 3.28Å; V108-E112 PolarHBondContact O-N 3.35Å
109	L	56.5	Low	56.6	Low	68 Å²	68	99.4 Å²	99.4	36%	0.356	47%	0.468	S	S	.	.	H	α-helix	trans	-60.7	-40.9	176.7	-173.8	69	0	0	0	112	Q105 Q106 E112 N113	Q105-L109 WeakPolarHBondContact O-CB 3.5Å; Q105-L109 PolarHBondContact O-N 3.33Å; Q106-L109 PolarHBondContact O-N 3.48Å; L109-E112 PolarHBondContact O-N 3.4Å; L109-N113 WeakPolarHBondContact O-CB 2.89Å; L109-N113 PolarHBondContact O-N 3.18Å; L109-N113 PolarHBondContact O-ND2 3.44Å
110	N	58.3	Low	57.4	Low	91 Å²	91	88.7 Å²	88.7	49%	0.487	43%	0.427	S	S	.	.	H	α-helix	trans	-62	-44.8	175	-172	-51.9	0	0	0	111.6	Q106 R107 V108 N113 R114	Q106-N110 WeakPolarHBondContact O-CB 3.37Å; Q106-N110 PolarHBondContact O-N 2.87Å; R107-N110 PolarHBondContact O-N 3.29Å; V108-N110 VanDerWaalsContact C-N 3.32Å; V108-N110 PolarHBondContact O-N 2.9Å; N110-N113 PolarHBondContact O-N 2.87Å; N110-R114 WeakPolarHBondContact O-CG 3.48Å; N110-R114 PolarHBondContact O-N 2.91Å; N110-R114 VanDerWaalsContact OD1-CD 3.29Å; N110-R114 WeakPolarHBondContact OD1-CD 3.44Å
111	L	57.9	Low	57.8	Low	63 Å²	63	91.2 Å²	91.2	33%	0.33	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-42.4	177.4	-75	166.5	0	0	0	112.2	L85 R107 V108 N113 R114 L115	L85-L111 HydrophobicContact CD1-CD2 4.4Å; L85-L111 HydrophobicContact CD2-CD1 4.35Å; R107-L111 WeakPolarHBondContact O-CG 3.28Å; R107-L111 PolarHBondContact O-N 3.25Å; V108-L111 PolarHBondContact O-N 3.2Å; L111-N113 VanDerWaalsContact C-N 3.34Å; L111-N113 PolarHBondContact O-N 2.88Å; L111-R114 PolarHBondContact O-N 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 PolarHBondContact O-N 3.48Å
112	E	57.6	Low	58.4	Low	114 Å²	114	87.8 Å²	87.8	53%	0.533	43%	0.426	S	S	.	.	H	α-helix	trans	-58.7	-44.7	173.2	-75.5	-173.7	160.9	0	0	111.4	V108 L109 R114 L115 H116	V108-E112 HydrophobicContact CG1-CG 4.48Å; V108-E112 WeakPolarHBondContact O-CG 3.28Å; V108-E112 PolarHBondContact O-N 3.35Å; L109-E112 PolarHBondContact O-N 3.4Å; E112-R114 PolarHBondContact O-N 3.41Å; E112-L115 PolarHBondContact O-N 3.33Å; E112-H116 WeakPolarHBondContact O-CB 3.49Å; E112-H116 PolarHBondContact O-N 3.32Å
113	N	60.3	Low	59.2	Low	69 Å²	69	81.8 Å²	81.8	37%	0.369	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-41.8	177.3	-72.2	-19.3	0	0	0	112.3	L109 N110 L111 H116 S117	L109-N113 WeakPolarHBondContact O-CB 2.89Å; L109-N113 PolarHBondContact O-N 3.18Å; L109-N113 PolarHBondContact O-ND2 3.44Å; N110-N113 PolarHBondContact O-N 2.87Å; L111-N113 VanDerWaalsContact C-N 3.34Å; L111-N113 PolarHBondContact O-N 2.88Å; N113-H116 PolarHBondContact O-N 3Å; N113-S117 WeakPolarHBondContact O-CB 3.36Å; N113-S117 PolarHBondContact O-N 2.92Å
114	R	60	Low	60.3	Low	167 Å²	167	79.1 Å²	79.1	63%	0.63	39%	0.391	S	S	*	.	H	α-helix	trans	-65.1	-42.9	175.9	-73.6	176.7	63.8	-171.5	-1.7	111.7	N110 L111 E112 S117 C118	N110-R114 WeakPolarHBondContact O-CG 3.48Å; N110-R114 PolarHBondContact O-N 2.91Å; N110-R114 VanDerWaalsContact OD1-CD 3.29Å; N110-R114 WeakPolarHBondContact OD1-CD 3.44Å; L111-R114 PolarHBondContact O-N 3.31Å; E112-R114 PolarHBondContact O-N 3.41Å; R114-S117 PolarHBondContact O-N 2.83Å; R114-C118 WeakPolarHBondContact O-CB 3.49Å; R114-C118 PolarHBondContact O-N 2.82Å
115	L	62.4	Low	61.8	Low	77 Å²	77	76.7 Å²	76.7	40%	0.403	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-44.3	176.3	177.9	59	0	0	0	111	F78 L111 E112 C118 M119	F78-L115 HydrophobicContact CE2-CD1 3.37Å; F78-L115 HydrophobicContact CZ-CD1 3.57Å; F78-L115 HydrophobicContact CZ-CD2 4.19Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 PolarHBondContact O-N 3.48Å; E112-L115 PolarHBondContact O-N 3.33Å; L115-C118 WeakPolarHBondContact O-CB 3.25Å; L115-C118 PolarHBondContact O-N 3.48Å; L115-M119 HydrophobicContact CD1-CG 4.26Å; L115-M119 WeakPolarHBondContact O-CB 3.3Å; L115-M119 WeakPolarHBondContact O-CG 3.13Å; L115-M119 PolarHBondContact O-N 2.86Å
116	H	62.1	Low	63.6	Low	60 Å²	60	75.5 Å²	75.5	28%	0.278	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-45.1	177	-167.9	68.2	0	0	0	111.5	E112 N113 C118 M119 N120	E112-H116 WeakPolarHBondContact O-CB 3.49Å; E112-H116 PolarHBondContact O-N 3.32Å; N113-H116 PolarHBondContact O-N 3Å; H116-C118 VanDerWaalsContact C-N 3.31Å; H116-C118 PolarHBondContact O-N 3.24Å; H116-M119 PolarHBondContact O-N 3.39Å; H116-N120 PolarHBondContact CD2-ND2 2.85Å; H116-N120 VanDerWaalsContact CD2-ND2 3.25Å; H116-N120 PolarHBondContact NE2-ND2 3.34Å; H116-N120 WeakPolarHBondContact O-CB 3.35Å; H116-N120 PolarHBondContact O-N 3.32Å; H116-N120 PolarHBondContact O-ND2 3.42Å; H116-N120 PolarHBondContact O-OD1 3.17Å
117	S	61.4	Low	65.7	Low	44 Å²	44	69.4 Å²	69.4	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-40.4	174.2	-175.5	0	0	0	0	112.4	N113 R114 N120 K121	N113-S117 WeakPolarHBondContact O-CB 3.36Å; N113-S117 PolarHBondContact O-N 2.92Å; R114-S117 PolarHBondContact O-N 2.83Å; S117-N120 PolarHBondContact O-N 2.75Å; S117-K121 WeakPolarHBondContact O-CG 3.12Å; S117-K121 PolarHBondContact O-N 3.44Å; S117-K121 VanDerWaalsContact O-N 3.08Å
118	C	62	Low	67.5	Low	65 Å²	65	67.9 Å²	67.9	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-48.6	175.8	-170.9	0	0	0	0	111.5	R114 L115 H116 N120 K121 L122	R114-C118 WeakPolarHBondContact O-CB 3.49Å; R114-C118 PolarHBondContact O-N 2.82Å; L115-C118 WeakPolarHBondContact O-CB 3.25Å; L115-C118 PolarHBondContact O-N 3.48Å; H116-C118 VanDerWaalsContact C-N 3.31Å; H116-C118 PolarHBondContact O-N 3.24Å; C118-N120 VanDerWaalsContact C-N 3.31Å; C118-N120 PolarHBondContact O-N 2.82Å; C118-K121 PolarHBondContact O-N 3.23Å; C118-K121 VanDerWaalsContact O-N 3.16Å; C118-L122 PolarHBondContact O-N 3.31Å
119	M	64.8	Low	69.3	Low	92 Å²	92	71 Å²	71	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-40.4	177.6	-74.3	-67.5	-107	0	0	111.7	L115 H116 K121 L122 T123	L115-M119 HydrophobicContact CD1-CG 4.26Å; L115-M119 WeakPolarHBondContact O-CB 3.3Å; L115-M119 WeakPolarHBondContact O-CG 3.13Å; L115-M119 PolarHBondContact O-N 2.86Å; H116-M119 PolarHBondContact O-N 3.39Å; M119-K121 PolarHBondContact O-N 2.87Å; M119-L122 PolarHBondContact O-N 3.34Å; M119-L122 HydrophobicContact SD-CD1 4.36Å; M119-T123 VanDerWaalsContact O-CB 3.3Å; M119-T123 WeakPolarHBondContact O-CB 3.37Å; M119-T123 VanDerWaalsContact O-CG2 3.3Å; M119-T123 WeakPolarHBondContact O-CG2 2.9Å; M119-T123 PolarHBondContact O-N 2.8Å; M119-T123 PolarHBondContact O-OG1 3.08Å
120	N	65	Low	71.2	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.08	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-42.5	175.8	-70.3	-8.9	0	0	0	111.1	H116 S117 C118 T123 C124 E258	H116-N120 PolarHBondContact CD2-ND2 2.85Å; H116-N120 VanDerWaalsContact CD2-ND2 3.25Å; H116-N120 PolarHBondContact NE2-ND2 3.34Å; H116-N120 WeakPolarHBondContact O-CB 3.35Å; H116-N120 PolarHBondContact O-N 3.32Å; H116-N120 PolarHBondContact O-ND2 3.42Å; H116-N120 PolarHBondContact O-OD1 3.17Å; S117-N120 PolarHBondContact O-N 2.75Å; C118-N120 VanDerWaalsContact C-N 3.31Å; C118-N120 PolarHBondContact O-N 2.82Å; N120-T123 WeakPolarHBondContact CA-OG1 3.31Å; N120-T123 CarbonylContact O-C 3.59Å; N120-T123 VanDerWaalsContact O-C 3.31Å; N120-T123 PolarHBondContact O-N 3.09Å; N120-T123 PolarHBondContact O-OG1 3.25Å; N120-C124 PolarHBondContact O-N 3.48Å; N120-E258 HydrophobicContact CB-CB 4.36Å; N120-E258 HydrophobicContact CB-CG 3.91Å
121	K	62.1	Low	73	Confident	114 Å²	114	67 Å²	67	50%	0.496	34%	0.336	S	S	.	.	H	α-helix	trans	-67.3	-39.5	174.4	-71.3	174.1	-178.9	174.6	0	113.7	S117 C118 M119 T123 C124	S117-K121 WeakPolarHBondContact O-CG 3.12Å; S117-K121 PolarHBondContact O-N 3.44Å; S117-K121 VanDerWaalsContact O-N 3.08Å; C118-K121 PolarHBondContact O-N 3.23Å; C118-K121 VanDerWaalsContact O-N 3.16Å; M119-K121 PolarHBondContact O-N 2.87Å; K121-T123 PolarHBondContact O-N 3.47Å; K121-C124 WeakPolarHBondContact O-CB 3.4Å; K121-C124 PolarHBondContact O-N 2.85Å
122	L	61.7	Low	74.7	Confident	81 Å²	81	65.8 Å²	65.8	42%	0.424	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-28.3	173.7	-80.3	154	0	0	0	111.4	L74 C118 M119 H375	L74-L122 HydrophobicContact CD2-CD2 3.92Å; C118-L122 PolarHBondContact O-N 3.31Å; M119-L122 PolarHBondContact O-N 3.34Å; M119-L122 HydrophobicContact SD-CD1 4.36Å; L122-H375 PolarHBondContact O-CD2 3.41Å; L122-H375 VanDerWaalsContact O-CD2 3.28Å; L122-H375 PolarHBondContact O-NE2 2.74Å
123	T	66.9	Low	76.5	Confident	33 Å²	33	61.2 Å²	61.2	20%	0.202	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	24.8	-179.3	59.4	0	0	0	0	113.3	M119 N120 K121 R356 H375	M119-T123 VanDerWaalsContact O-CB 3.3Å; M119-T123 WeakPolarHBondContact O-CB 3.37Å; M119-T123 VanDerWaalsContact O-CG2 3.3Å; M119-T123 WeakPolarHBondContact O-CG2 2.9Å; M119-T123 PolarHBondContact O-N 2.8Å; M119-T123 PolarHBondContact O-OG1 3.08Å; N120-T123 WeakPolarHBondContact CA-OG1 3.31Å; N120-T123 CarbonylContact O-C 3.59Å; N120-T123 VanDerWaalsContact O-C 3.31Å; N120-T123 PolarHBondContact O-N 3.09Å; N120-T123 PolarHBondContact O-OG1 3.25Å; K121-T123 PolarHBondContact O-N 3.47Å; T123-R356 VanDerWaalsContact CB-CZ 3.47Å; T123-R356 PolarHBondContact OG1-NH2 3.01Å; T123-H375 WeakPolarHBondContact CA-NE2 3.32Å; T123-H375 PolarHBondContact O-CE1 3.02Å; T123-H375 PolarHBondContact O-NE2 3.23Å
124	C	77.2	Confident	78.2	Confident	30 Å²	30	63.9 Å²	63.9	20%	0.203	33%	0.329	C	S	.	.			trans	-83.2	133.1	170.9	-106.7	0	0	0	0	115.3	N120 K121 C306 H375	N120-C124 PolarHBondContact O-N 3.48Å; K121-C124 WeakPolarHBondContact O-CB 3.4Å; K121-C124 PolarHBondContact O-N 2.85Å; C124-C306 WeakPolarHBondContact CA-SG 3.5Å; C124-C306 HydrophobicContact CB-CB 3.68Å; C124-C306 WeakPolarHBondContact CB-SG 3.43Å; C124-C306 WeakPolarHBondContact SG-CA 3.23Å; C124-C306 WeakPolarHBondContact SG-CB 3.35Å; C124-C306 CovalentContact SG-SG 2.01Å; C124-C306 PolarHBondContact SG-SG 3.25Å; C124-H375 VanDerWaalsContact C-NE2 3.3Å; C124-H375 PolarHBondContact N-CE1 3.18Å; C124-H375 PolarHBondContact N-NE2 2.84Å; C124-H375 PolarHBondContact O-CD2 3.11Å; C124-H375 VanDerWaalsContact O-CD2 3.31Å; C124-H375 PolarHBondContact O-CE1 2.94Å; C124-H375 PolarHBondContact O-NE2 3.35Å
125	G	85.1	Confident	80.1	Confident	10 Å²	10	58.3 Å²	58.3	10%	0.103	31%	0.314	C	S	.	.			trans	-155	172	179.9	0	0	0	0	0	114.2	C306 F374	G125-C306 PolarHBondContact N-SG 3.16Å; G125-C306 VanDerWaalsContact N-SG 3.44Å; G125-F374 CarbonylContact C-O 3.5Å; G125-F374 WeakPolarHBondContact CA-O 3.48Å
126	K	90.2	Very high	81.7	Confident	75 Å²	75	55.8 Å²	55.8	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	134.4	175.2	-178.6	174.6	175.5	169.3	0	110.1	M128 E333 L373 F374	K126-M128 PolarHBondContact O-N 3.4Å; K126-E333 WeakPolarHBondContact CE-OE1 3.39Å; K126-E333 IonicContact NZ-OE1 3.8Å; K126-E333 PolarHBondContact NZ-OE1 2.86Å; K126-E333 IonicContact NZ-OE2 2.68Å; K126-E333 PolarHBondContact NZ-OE2 3.2Å; K126-L373 CarbonylContact O-C 3.6Å; K126-L373 VanDerWaalsContact O-CA 3.3Å; K126-L373 WeakPolarHBondContact O-CA 3.11Å; K126-F374 PolarHBondContact N-O 2.83Å; K126-F374 PolarHBondContact O-N 3.47Å
127	L	95.3	Very high	83.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	127.2	176	-178.9	67.8	0	0	0	110.2	I130 F303 I305 Y310 V321 I337 V371 L373	L127-I130 HydrophobicContact CD1-CG1 4.2Å; L127-I130 HydrophobicContact CD2-CD1 4.14Å; L127-I130 HydrophobicContact CD2-CG1 4.16Å; L127-F303 HydrophobicContact CD2-CE2 3.93Å; L127-F303 HydrophobicContact CD2-CZ 3.87Å; L127-I305 HydrophobicContact CD1-CD1 4.23Å; L127-Y310 HydrophobicContact CB-CD1 4.13Å; L127-Y310 HydrophobicContact CB-CE1 3.54Å; L127-Y310 HydrophobicContact CB-CE2 4.05Å; L127-Y310 VanDerWaalsContact CB-CZ 3.49Å; L127-Y310 HydrophobicContact CD2-CD1 4.01Å; L127-Y310 HydrophobicContact CD2-CE1 4.28Å; L127-Y310 HydrophobicContact CD2-CG 4.18Å; L127-Y310 PolarHBondContact N-OH 3.08Å; L127-V321 HydrophobicContact CD2-CG2 4.23Å; L127-I337 HydrophobicContact CB-CD1 4.29Å; L127-I337 HydrophobicContact CD2-CD1 4.02Å; L127-I337 HydrophobicContact CG-CD1 3.89Å; L127-I337 VanDerWaalsContact O-CD1 3.23Å; L127-I337 WeakPolarHBondContact O-CD1 3.42Å; L127-V371 HydrophobicContact CD1-CB 3.69Å; L127-V371 HydrophobicContact CD1-CG1 3.84Å; L127-L373 HydrophobicContact CB-CD2 4.3Å; L127-L373 HydrophobicContact CD1-CD2 4.02Å
128	M	93.8	Very high	85.2	Confident	103 Å²	103	56.9 Å²	56.9	51%	0.507	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-36.4	177.1	-64.2	-53.3	-60.4	0	0	112.8	K126 T372 F374	K126-M128 PolarHBondContact O-N 3.4Å; M128-T372 PolarHBondContact N-O 3.31Å; M128-F374 HydrophobicContact CG-CB 3.41Å; M128-F374 VanDerWaalsContact CG-CB 3.41Å; M128-F374 HydrophobicContact CG-CG 4.45Å; M128-F374 HydrophobicContact SD-CB 3.83Å
129	K	94.4	Very high	86.8	Confident	119 Å²	119	55 Å²	55	52%	0.517	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	144.6	-172.7	-172.4	179.3	176.6	-175.2	0	111.3	T131 V371 T372	K129-T131 WeakPolarHBondContact CE-OG1 3.46Å; K129-V371 WeakPolarHBondContact O-CA 3.44Å; K129-T372 PolarHBondContact N-O 3.19Å; K129-T372 PolarHBondContact O-N 3.01Å
130	I	97.7	Very high	88.3	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.056	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.5	168.5	-58.8	175.1	0	0	0	107.6	L127 F303 V321 I337 F339 L358 F369 N370	L127-I130 HydrophobicContact CD1-CG1 4.2Å; L127-I130 HydrophobicContact CD2-CD1 4.14Å; L127-I130 HydrophobicContact CD2-CG1 4.16Å; I130-F303 HydrophobicContact CD1-CZ 4.27Å; I130-V321 HydrophobicContact CD1-CG2 3.63Å; I130-I337 HydrophobicContact CG1-CG2 4.21Å; I130-F339 HydrophobicContact CB-CB 3.92Å; I130-F339 HydrophobicContact CD1-CB 4.14Å; I130-F339 HydrophobicContact CD1-CD1 4.28Å; I130-F339 HydrophobicContact CD1-CG 4.42Å; I130-F339 HydrophobicContact CG2-CB 3.69Å; I130-L358 HydrophobicContact CD1-CD1 3.82Å; I130-L358 HydrophobicContact CG1-CD1 4.3Å; I130-L358 HydrophobicContact CG2-CD1 4.36Å; I130-F369 HydrophobicContact CG2-CB 3.52Å; I130-F369 HydrophobicContact CG2-CD1 3.87Å; I130-F369 HydrophobicContact CG2-CG 3.96Å; I130-N370 WeakPolarHBondContact CA-O 3.48Å
131	T	95.4	Very high	89.8	Confident	63 Å²	63	55.1 Å²	55.1	39%	0.387	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.5	179.9	-53.5	0	0	0	0	110	K129 F369 N370	K129-T131 WeakPolarHBondContact CE-OG1 3.46Å; T131-F369 CarbonylContact O-C 3.59Å; T131-F369 WeakPolarHBondContact O-CA 3.35Å; T131-N370 PolarHBondContact N-O 3.4Å; T131-N370 PolarHBondContact O-N 3Å
132	G	93.2	Very high	91.4	Very high	38 Å²	38	55.5 Å²	55.5	39%	0.392	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	138.6	-165.5	-174.3	0	0	0	0	0	111.4
133	P	95.3	Very high	93.2	Very high	19 Å²	19	53.5 Å²	53.5	12%	0.123	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-85.4	147.1	9.1	27.5	-25.3	0	0	0	113.2	H340 Q342 V367 L368 F369	P133-H340 VanDerWaalsContact CD-O 3.3Å; P133-H340 WeakPolarHBondContact CD-O 3.39Å; P133-Q342 HydrophobicContact CG-CB 3.53Å; P133-V367 HydrophobicContact CB-CB 3.86Å; P133-V367 HydrophobicContact CB-CG1 4.11Å; P133-V367 HydrophobicContact CB-CG2 4.37Å; P133-L368 CarbonylContact C-O 3.31Å; P133-L368 WeakPolarHBondContact CA-O 3.35Å; P133-F369 HydrophobicContact CB-CD1 4.1Å; P133-F369 HydrophobicContact CB-CE1 3.53Å; P133-F369 HydrophobicContact CB-CE2 4.37Å; P133-F369 HydrophobicContact CB-CZ 3.68Å; P133-F369 HydrophobicContact CG-CE1 4.02Å; P133-F369 HydrophobicContact CG-CZ 4.27Å
134	Q	97.1	Very high	94.6	Very high	124 Å²	124	52 Å²	52	58%	0.579	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	120.4	158.9	-178	179.6	14.6	0	0	108.5	V136 V367 L368	Q134-V136 PolarHBondContact O-N 2.87Å; Q134-V367 CarbonylContact O-C 3.44Å; Q134-V367 VanDerWaalsContact O-CA 3.24Å; Q134-V367 WeakPolarHBondContact O-CA 3.29Å; Q134-L368 PolarHBondContact N-O 2.94Å; Q134-L368 PolarHBondContact O-N 3.5Å
135	T	98.1	Very high	95.6	Very high	50 Å²	50	50.5 Å²	50.5	31%	0.307	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.6	173.6	-57.2	0	0	0	0	109.6	Y343 H365	T135-Y343 HydrophobicContact CG2-CE2 4.46Å; T135-Y343 WeakPolarHBondContact OG1-CE2 3.27Å; T135-Y343 PolarHBondContact OG1-OH 2.93Å; T135-H365 HydrophobicContact CG2-CB 4.46Å
136	V	97.8	Very high	96.2	Very high	24 Å²	24	50 Å²	50	15%	0.145	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-49.8	177.8	178	0	0	0	0	110.1	Q134 W146 I177 F180 V181 Q366 L368	Q134-V136 PolarHBondContact O-N 2.87Å; V136-W146 HydrophobicContact CB-CH2 4.09Å; V136-W146 HydrophobicContact CG1-CH2 4.26Å; V136-W146 HydrophobicContact CG1-CZ3 4.32Å; V136-W146 HydrophobicContact CG2-CH2 3.79Å; V136-W146 HydrophobicContact CG2-CZ2 4.35Å; V136-I177 HydrophobicContact CG1-CG2 4.17Å; V136-F180 HydrophobicContact CG1-CD1 4.04Å; V136-F180 HydrophobicContact CG1-CE1 4.13Å; V136-V181 HydrophobicContact CG1-CG2 3.89Å; V136-V181 WeakPolarHBondContact O-CG2 3.38Å; V136-Q366 PolarHBondContact N-O 2.79Å; V136-L368 HydrophobicContact CG2-CD1 3.68Å; V136-L368 HydrophobicContact CG2-CG 3.82Å
137	K	97.3	Very high	96.6	Very high	34 Å²	34	47 Å²	47	15%	0.148	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.7	-177.7	-168.3	-179.3	-178.2	77	0	110.9	S139 F180 V181 H365 Q366	K137-S139 VanDerWaalsContact CD-OG 3.27Å; K137-S139 WeakPolarHBondContact CD-OG 3.46Å; K137-S139 VanDerWaalsContact CE-OG 3.32Å; K137-S139 WeakPolarHBondContact CE-OG 3.39Å; K137-F180 HydrophobicContact CB-CD1 4.35Å; K137-F180 HydrophobicContact CB-CE1 3.68Å; K137-F180 HydrophobicContact CB-CZ 3.97Å; K137-F180 HydrophobicContact CD-CD1 4.2Å; K137-F180 HydrophobicContact CD-CD2 3.99Å; K137-F180 HydrophobicContact CD-CE1 3.8Å; K137-F180 HydrophobicContact CD-CE2 3.57Å; K137-F180 HydrophobicContact CD-CG 4.28Å; K137-F180 HydrophobicContact CD-CZ 3.46Å; K137-F180 VanDerWaalsContact CD-CZ 3.46Å; K137-F180 VanDerWaalsContact CD-O 3.29Å; K137-F180 WeakPolarHBondContact CD-O 3.36Å; K137-F180 VanDerWaalsContact CE-O 3.25Å; K137-F180 WeakPolarHBondContact CE-O 3.16Å; K137-F180 HydrophobicContact CG-CE1 4.4Å; K137-F180 HydrophobicContact CG-CZ 4.33Å; K137-F180 PolarHBondContact NZ-O 3.41Å; K137-V181 PolarHBondContact NZ-O 2.9Å; K137-H365 WeakPolarHBondContact O-CA 3.38Å; K137-Q366 HydrophobicContact CB-CB 4.36Å; K137-Q366 PolarHBondContact N-O 3.06Å; K137-Q366 PolarHBondContact O-N 3Å; K137-Q366 PolarHBondContact O-OE1 2.92Å
138	T	97.9	Very high	96.6	Very high	94 Å²	94	47.2 Å²	47.2	58%	0.577	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	105	167.8	-57.8	0	0	0	0	107.5	H365	T138-H365 WeakPolarHBondContact CG2-CE1 3.37Å; T138-H365 WeakPolarHBondContact CG2-ND1 3.41Å; T138-H365 PolarHBondContact OG1-CE1 3.13Å; T138-H365 PolarHBondContact OG1-ND1 2.79Å
139	S	96.1	Very high	96.7	Very high	26 Å²	26	42.6 Å²	42.6	18%	0.182	24%	0.239	C	C	.	.			trans	-164.6	154.1	-178.1	62.9	0	0	0	0	112.3	K137 Y161 G364 Q366	K137-S139 VanDerWaalsContact CD-OG 3.27Å; K137-S139 WeakPolarHBondContact CD-OG 3.46Å; K137-S139 VanDerWaalsContact CE-OG 3.32Å; K137-S139 WeakPolarHBondContact CE-OG 3.39Å; S139-Y161 PolarHBondContact O-OH 2.97Å; S139-G364 PolarHBondContact N-O 3.05Å; S139-Q366 PolarHBondContact O-NE2 3.39Å; S139-Q366 PolarHBondContact OG-OE1 2.75Å
140	G	95.9	Very high	96.6	Very high	45 Å²	45	37.4 Å²	37.4	46%	0.464	22%	0.218	S	C	.	.	S	Bend	trans	89.7	-171.6	177.3	0	0	0	0	0	114.2	Y161 D163	G140-Y161 WeakPolarHBondContact CA-OH 3.23Å; G140-Y161 PolarHBondContact N-OH 3.34Å; G140-D163 WeakPolarHBondContact CA-OD2 3.31Å
141	T	96.8	Very high	96.1	Very high	64 Å²	64	39.5 Å²	39.5	39%	0.393	23%	0.228	S	C	.	.	S	Bend	trans	-78.4	-178.9	174.4	69.7	0	0	0	0	111.3	F143 D163 W361 G364	T141-F143 PolarHBondContact O-N 3.43Å; T141-F143 VanDerWaalsContact O-N 3.12Å; T141-F143 PolarHBondContact OG1-O 2.85Å; T141-D163 WeakPolarHBondContact CB-OD1 3.4Å; T141-D163 PolarHBondContact N-OD1 3.19Å; T141-D163 PolarHBondContact N-OD2 2.74Å; T141-D163 PolarHBondContact OG1-OD1 3.25Å; T141-W361 WeakPolarHBondContact O-CZ2 2.95Å; T141-W361 PolarHBondContact O-NE1 2.83Å; T141-G364 WeakPolarHBondContact O-CA 3.3Å
142	R	97	Very high	95.6	Very high	122 Å²	122	37.1 Å²	37.1	46%	0.46	22%	0.216	S	C	.	.	S	Bend	trans	-56.5	-27.9	177.2	174.9	165	-175.6	-170.5	5.3	113.6	H345 W361 N363 G364	R142-H345 PolarHBondContact NH2-CD2 3.36Å; R142-W361 VanDerWaalsContact O-CD1 3.31Å; R142-W361 PolarHBondContact O-NE1 3.38Å; R142-W361 VanDerWaalsContact O-NE1 3.14Å; R142-N363 WeakPolarHBondContact CD-OD1 3.43Å; R142-N363 VanDerWaalsContact CG-OD1 3.25Å; R142-N363 WeakPolarHBondContact CG-OD1 3.33Å; R142-N363 WeakPolarHBondContact O-CA 3.45Å; R142-G364 PolarHBondContact O-N 3.25Å
143	F	97.9	Very high	94.7	Very high	39 Å²	39	37.7 Å²	37.7	17%	0.171	21%	0.214	C	C	.	.	S	Bend	trans	-128	147	-173.3	-42.6	-83.1	0	0	0	110.3	T141 S164 Y165 T198 W246 H345 W361	T141-F143 PolarHBondContact O-N 3.43Å; T141-F143 VanDerWaalsContact O-N 3.12Å; T141-F143 PolarHBondContact OG1-O 2.85Å; F143-S164 WeakPolarHBondContact O-CA 3.3Å; F143-S164 PolarHBondContact O-N 2.72Å; F143-Y165 HydrophobicContact CB-CD1 3.79Å; F143-Y165 HydrophobicContact CD1-CD1 4.46Å; F143-Y165 AromaticContact CD2-CD1 3.48Å; F143-Y165 HydrophobicContact CD2-CD1 3.48Å; F143-Y165 VanDerWaalsContact CD2-CD1 3.48Å; F143-Y165 AromaticContact CD2-CE1 3.6Å; F143-Y165 HydrophobicContact CD2-CE1 3.6Å; F143-Y165 HydrophobicContact CE2-CD1 4.13Å; F143-Y165 AromaticContact CE2-CE1 3.81Å; F143-Y165 HydrophobicContact CE2-CE1 3.81Å; F143-Y165 AromaticContact CG-CD1 3.67Å; F143-Y165 HydrophobicContact CG-CD1 3.67Å; F143-Y165 HydrophobicContact CG-CE1 4.21Å; F143-T198 HydrophobicContact CB-CG2 4.39Å; F143-W246 HydrophobicContact CD1-CE3 4.11Å; F143-W246 AromaticContact CD1-CZ3 3.91Å; F143-W246 HydrophobicContact CD1-CZ3 3.91Å; F143-W246 HydrophobicContact CE1-CE3 4.14Å; F143-W246 HydrophobicContact CE1-CZ3 4.31Å; F143-H345 AromaticContact CD1-CE1 3.96Å; F143-H345 AromaticContact CE1-CE1 3.44Å; F143-H345 VanDerWaalsContact CE1-CE1 3.44Å; F143-H345 WeakPolarHBondContact CE1-CE1 3.33Å; F143-H345 AromaticContact CE1-NE2 3.97Å; F143-W361 VanDerWaalsContact C-CE2 3.49Å
144	G	97.8	Very high	93.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.8	-175.2	176.8	0	0	0	0	0	110.4	M162 T198 W361	G144-M162 CarbonylContact C-O 3.53Å; G144-M162 WeakPolarHBondContact CA-O 3.41Å; G144-T198 WeakPolarHBondContact O-CG2 3.47Å; G144-W361 VanDerWaalsContact C-CD2 3.45Å; G144-W361 WeakPolarHBondContact O-CB 3.47Å
145	A	97.8	Very high	91.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.8	177.4	0	0	0	0	0	109.6	M147 M162 T198 M348	A145-M147 HydrophobicContact CB-CE 3.82Å; A145-M162 HydrophobicContact CB-CB 4.43Å; A145-M162 HydrophobicContact CB-CE 4.36Å; A145-M162 PolarHBondContact N-O 2.93Å; A145-M162 PolarHBondContact O-N 2.9Å; A145-T198 WeakPolarHBondContact CB-O 3.24Å; A145-M348 HydrophobicContact CB-CG 4.37Å; A145-M348 HydrophobicContact CB-SD 4.27Å
146	W	98.3	Very high	90.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	142.7	172.9	75.3	-63.9	0	0	0	109.2	V136 V159 W160 Y161 I177 F180 M348 Y359 G360 Q366 V367 L368	V136-W146 HydrophobicContact CB-CH2 4.09Å; V136-W146 HydrophobicContact CG1-CH2 4.26Å; V136-W146 HydrophobicContact CG1-CZ3 4.32Å; V136-W146 HydrophobicContact CG2-CH2 3.79Å; V136-W146 HydrophobicContact CG2-CZ2 4.35Å; W146-V159 HydrophobicContact CE3-CG1 3.96Å; W146-W160 CarbonylContact C-O 3.53Å; W146-W160 WeakPolarHBondContact CA-O 3.38Å; W146-Y161 HydrophobicContact CB-CD2 4.32Å; W146-I177 HydrophobicContact CZ3-CD1 4.02Å; W146-F180 HydrophobicContact CD2-CE1 4.45Å; W146-F180 HydrophobicContact CE3-CD1 4.34Å; W146-F180 AromaticContact CE3-CE1 3.78Å; W146-F180 HydrophobicContact CE3-CE1 3.78Å; W146-F180 HydrophobicContact CE3-CZ 4.32Å; W146-F180 HydrophobicContact CZ3-CD1 4.38Å; W146-F180 HydrophobicContact CZ3-CE1 4.08Å; W146-M348 VanDerWaalsContact O-CE 3.28Å; W146-M348 WeakPolarHBondContact O-CE 3.42Å; W146-Y359 AromaticContact CD2-CD1 3.88Å; W146-Y359 HydrophobicContact CD2-CD1 3.88Å; W146-Y359 HydrophobicContact CD2-CE1 4.46Å; W146-Y359 AromaticContact CE2-CD1 3.68Å; W146-Y359 AromaticContact CE3-CD1 3.91Å; W146-Y359 HydrophobicContact CE3-CD1 3.91Å; W146-Y359 HydrophobicContact CE3-CE1 4.02Å; W146-Y359 AromaticContact CH2-CD1 3.56Å; W146-Y359 HydrophobicContact CH2-CD1 3.56Å; W146-Y359 AromaticContact CH2-CE1 3.59Å; W146-Y359 HydrophobicContact CH2-CE1 3.59Å; W146-Y359 AromaticContact CZ2-CD1 3.54Å; W146-Y359 HydrophobicContact CZ2-CD1 3.54Å; W146-Y359 HydrophobicContact CZ2-CE1 4.08Å; W146-Y359 HydrophobicContact CZ2-CG 4.27Å; W146-Y359 AromaticContact CZ3-CD1 3.76Å; W146-Y359 HydrophobicContact CZ3-CD1 3.76Å; W146-Y359 AromaticContact CZ3-CE1 3.57Å; W146-Y359 HydrophobicContact CZ3-CE1 3.57Å; W146-G360 PolarHBondContact NE1-O 3.03Å; W146-Q366 HydrophobicContact CB-CG 4.2Å; W146-Q366 HydrophobicContact CD2-CB 3.77Å; W146-Q366 HydrophobicContact CD2-CG 3.88Å; W146-Q366 HydrophobicContact CE3-CB 4.39Å; W146-Q366 HydrophobicContact CG-CB 4.01Å; W146-Q366 HydrophobicContact CG-CG 3.59Å; W146-Q366 HydrophobicContact CZ2-CB 4.03Å; W146-V367 WeakPolarHBondContact CZ2-O 3.44Å; W146-L368 HydrophobicContact CH2-CD1 4.16Å; W146-L368 HydrophobicContact CH2-CD2 3.71Å; W146-L368 HydrophobicContact CH2-CG 3.73Å; W146-L368 HydrophobicContact CZ2-CD2 3.81Å; W146-L368 HydrophobicContact CZ2-CG 3.94Å
147	M	97.1	Very high	90.1	Very high	11 Å²	11	49.8 Å²	49.8	5%	0.054	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	165.1	-172	60.2	-151.9	60.1	0	0	111.4	A145 W160 M162 H200 V201 V202 M348	A145-M147 HydrophobicContact CB-CE 3.82Å; M147-W160 HydrophobicContact CG-CB 4.45Å; M147-W160 PolarHBondContact N-O 3.33Å; M147-W160 PolarHBondContact O-N 3.33Å; M147-M162 HydrophobicContact CE-CE 3.64Å; M147-M162 HydrophobicContact CG-CE 4.35Å; M147-M162 HydrophobicContact SD-CE 4Å; M147-H200 HydrophobicContact CE-CB 4.26Å; M147-H200 WeakPolarHBondContact CE-O 3.23Å; M147-H200 VanDerWaalsContact SD-O 3.34Å; M147-V201 VanDerWaalsContact SD-CA 3.51Å; M147-V202 HydrophobicContact CG-CB 4.18Å; M147-V202 HydrophobicContact CG-CG2 3.86Å; M147-V202 HydrophobicContact SD-CB 4.26Å; M147-V202 HydrophobicContact SD-CG2 3.8Å; M147-V202 PolarHBondContact SD-N 3.49Å; M147-M348 HydrophobicContact CE-CE 4.26Å
148	T	96.6	Very high	90	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.031	27%	0.272	C	S	.	.			trans	-118.8	159.2	164.8	67.6	0	0	0	0	108.8	P150 K158 V159 I177 N352 R354 D355 Y359	T148-P150 WeakPolarHBondContact O-CD 3.05Å; T148-K158 WeakPolarHBondContact CB-O 3.23Å; T148-K158 WeakPolarHBondContact CG2-O 3.44Å; T148-V159 HydrophobicContact CG2-CG2 4.11Å; T148-I177 HydrophobicContact CG2-CD1 4.46Å; T148-N352 PolarHBondContact O-ND2 3.25Å; T148-N352 VanDerWaalsContact O-ND2 3.11Å; T148-N352 PolarHBondContact OG1-ND2 2.94Å; T148-R354 PolarHBondContact OG1-NH2 3.32Å; T148-D355 PolarHBondContact OG1-OD2 3.43Å; T148-Y359 HydrophobicContact CG2-CE1 4.05Å; T148-Y359 WeakPolarHBondContact CG2-OH 3.26Å; T148-Y359 PolarHBondContact OG1-OH 3.2Å; T148-Y359 VanDerWaalsContact OG1-OH 3.06Å
149	D	95.9	Very high	90	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	25%	0.245	C	C	.	.			trans	-81.5	117.5	179	-174	-16.1	0	0	0	109.5	L151 A152 W160 V202 N204 G205 R354	D149-L151 PolarHBondContact O-N 3.3Å; D149-L151 PolarHBondContact OD1-N 3.45Å; D149-A152 HydrophobicContact CB-CB 3.9Å; D149-A152 PolarHBondContact O-N 2.98Å; D149-A152 VanDerWaalsContact O-N 3.14Å; D149-W160 HydrophobicContact CB-CH2 3.87Å; D149-W160 HydrophobicContact CB-CZ3 3.77Å; D149-V202 HydrophobicContact CB-CG1 3.87Å; D149-N204 PolarHBondContact OD1-N 3.41Å; D149-N204 VanDerWaalsContact OD1-N 3.08Å; D149-N204 WeakPolarHBondContact OD2-CA 3.48Å; D149-N204 PolarHBondContact OD2-N 2.98Å; D149-G205 PolarHBondContact OD2-N 3.36Å; D149-R354 VanDerWaalsContact O-CZ 3.32Å; D149-R354 PolarHBondContact O-NH1 3.47Å; D149-R354 VanDerWaalsContact O-NH1 3.09Å
150	P	92	Very high	90.1	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.065	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16	-179.3	28.3	-34.6	0	0	0	113.2	T148 V202 Y203 V256 R354	T148-P150 WeakPolarHBondContact O-CD 3.05Å; P150-V202 WeakPolarHBondContact CD-O 3.32Å; P150-Y203 HydrophobicContact CG-CD2 4.05Å; P150-Y203 HydrophobicContact CG-CE2 4.46Å; P150-V256 HydrophobicContact CG-CB 4.49Å; P150-V256 HydrophobicContact CG-CG1 3.75Å; P150-R354 HydrophobicContact CB-CB 4.22Å; P150-R354 WeakPolarHBondContact O-CB 3.46Å
151	L	87.6	Confident	90.3	Very high	54 Å²	54	44 Å²	44	28%	0.283	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-5	175	-68.7	-177	0	0	0	113.9	D149 Y203 N204	D149-L151 PolarHBondContact O-N 3.3Å; D149-L151 PolarHBondContact OD1-N 3.45Å; L151-Y203 HydrophobicContact CD1-CD2 3.92Å; L151-Y203 HydrophobicContact CD1-CE1 4.1Å; L151-Y203 HydrophobicContact CD1-CE2 3.3Å; L151-Y203 VanDerWaalsContact CD1-CZ 3.4Å; L151-Y203 HydrophobicContact CD2-CE2 4.37Å; L151-Y203 HydrophobicContact CG-CD2 4.07Å; L151-Y203 HydrophobicContact CG-CE2 3.54Å; L151-N204 HydrophobicContact CD1-CB 3.87Å
152	A	84.4	Confident	90.3	Very high	14 Å²	14	41 Å²	41	12%	0.116	20%	0.199	C	C	.	.	S	Bend	trans	-69.9	140.7	176.2	0	0	0	0	0	110.9	D149 N156 R354	D149-A152 HydrophobicContact CB-CB 3.9Å; D149-A152 PolarHBondContact O-N 2.98Å; D149-A152 VanDerWaalsContact O-N 3.14Å; A152-N156 HydrophobicContact CB-CB 4.25Å; A152-N156 WeakPolarHBondContact CB-O 3.39Å; A152-R354 PolarHBondContact O-NH1 3.05Å
153	S	73.6	Confident	90.4	Very high	50 Å²	50	36.9 Å²	36.9	35%	0.35	19%	0.187	S	C	.	.			trans	-57.3	156.1	178.1	69.2	0	0	0	0	111.7	K155 N156	S153-K155 PolarHBondContact O-N 2.91Å; S153-N156 CarbonylContact O-C 3.47Å; S153-N156 WeakPolarHBondContact O-CA 3.31Å; S153-N156 PolarHBondContact O-N 3.01Å
154	L	66.9	Low	90.3	Very high	140 Å²	140	36.3 Å²	36.3	73%	0.733	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.1	-179.8	-69.3	169.4	0	0	0	114	N157	L154-N157 PolarHBondContact O-ND2 2.99Å; L154-N157 VanDerWaalsContact O-ND2 3.09Å
155	K	65.8	Low	90.3	Very high	206 Å²	206	39.5 Å²	39.5	90%	0.896	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.8	175	-64.6	179.8	-179.1	174	0	112.5	S153	S153-K155 PolarHBondContact O-N 2.91Å
156	N	76.3	Confident	90.1	Very high	59 Å²	59	40.3 Å²	40.3	32%	0.316	21%	0.205	S	C	.	.			trans	-110.7	86.8	-178.4	-174	8.9	0	0	0	110.5	A152 S153 K158	A152-N156 HydrophobicContact CB-CB 4.25Å; A152-N156 WeakPolarHBondContact CB-O 3.39Å; S153-N156 CarbonylContact O-C 3.47Å; S153-N156 WeakPolarHBondContact O-CA 3.31Å; S153-N156 PolarHBondContact O-N 3.01Å; N156-K158 VanDerWaalsContact OD1-CD 3.27Å; N156-K158 WeakPolarHBondContact OD1-CD 3.44Å; N156-K158 WeakPolarHBondContact OD1-CG 3.42Å
157	N	83.2	Confident	89.8	Confident	65 Å²	65	45.5 Å²	45.5	35%	0.348	23%	0.233	S	C	.	.			trans	-102.6	40.7	179.9	-63.3	-36.3	0	0	0	111.7	L154 K175 S176	L154-N157 PolarHBondContact O-ND2 2.99Å; L154-N157 VanDerWaalsContact O-ND2 3.09Å; N157-K175 CarbonylContact C-O 3.58Å; N157-S176 VanDerWaalsContact O-CA 3.3Å; N157-S176 WeakPolarHBondContact O-CA 3.4Å
158	K	95.9	Very high	89.7	Confident	57 Å²	57	46.7 Å²	46.7	25%	0.248	24%	0.239	C	C	.	.			trans	-58.1	144.1	176.1	-80.7	171.9	176	-149.3	0	111.2	T148 N156 W160 E173 Y174	T148-K158 WeakPolarHBondContact CB-O 3.23Å; T148-K158 WeakPolarHBondContact CG2-O 3.44Å; N156-K158 VanDerWaalsContact OD1-CD 3.27Å; N156-K158 WeakPolarHBondContact OD1-CD 3.44Å; N156-K158 WeakPolarHBondContact OD1-CG 3.42Å; K158-W160 HydrophobicContact CB-CE3 4.39Å; K158-W160 HydrophobicContact CB-CH2 3.52Å; K158-W160 HydrophobicContact CB-CZ2 3.91Å; K158-W160 HydrophobicContact CB-CZ3 3.76Å; K158-W160 HydrophobicContact CD-CH2 4.2Å; K158-W160 HydrophobicContact CD-CZ2 4.02Å; K158-W160 VanDerWaalsContact O-CZ3 3.24Å; K158-W160 WeakPolarHBondContact O-CZ3 3.37Å; K158-E173 HydrophobicContact CD-CG 4.23Å; K158-E173 WeakPolarHBondContact CD-OE2 3.43Å; K158-E173 VanDerWaalsContact CE-OE1 3.28Å; K158-E173 WeakPolarHBondContact CE-OE1 3.27Å; K158-E173 HydrophobicContact CG-CG 4.27Å; K158-E173 IonicContact NZ-OE1 3.61Å; K158-E173 PolarHBondContact NZ-OE1 2.93Å; K158-E173 IonicContact NZ-OE2 3.26Å; K158-E173 PolarHBondContact NZ-OE2 3.44Å; K158-Y174 CarbonylContact C-O 3.58Å; K158-Y174 WeakPolarHBondContact CA-O 3.17Å
159	V	97.8	Very high	89.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.7	176.3	-175.2	0	0	0	0	108.3	W146 T148 E173 Y174 I177 F180	W146-V159 HydrophobicContact CE3-CG1 3.96Å; T148-V159 HydrophobicContact CG2-CG2 4.11Å; V159-E173 CarbonylContact O-C 3.5Å; V159-E173 WeakPolarHBondContact O-CA 3.31Å; V159-Y174 PolarHBondContact N-O 3.34Å; V159-Y174 PolarHBondContact O-N 2.84Å; V159-I177 HydrophobicContact CG2-CD1 3.51Å; V159-I177 HydrophobicContact CG2-CG1 3.98Å; V159-F180 HydrophobicContact CB-CB 4.18Å; V159-F180 HydrophobicContact CB-CG 4.34Å; V159-F180 HydrophobicContact CG1-CB 4.31Å; V159-F180 HydrophobicContact CG1-CD1 4.15Å; V159-F180 HydrophobicContact CG1-CD2 4.13Å; V159-F180 HydrophobicContact CG1-CG 3.92Å; V159-F180 HydrophobicContact CG2-CB 4.06Å; V159-F180 HydrophobicContact CG2-CG 4.49Å
160	W	98.4	Very high	89.8	Confident	8 Å²	8	55 Å²	55	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.5	171.7	-65	-94.6	0	0	0	109.7	W146 M147 D149 K158 M162 V171 K172 V202 F222	W146-W160 CarbonylContact C-O 3.53Å; W146-W160 WeakPolarHBondContact CA-O 3.38Å; M147-W160 HydrophobicContact CG-CB 4.45Å; M147-W160 PolarHBondContact N-O 3.33Å; M147-W160 PolarHBondContact O-N 3.33Å; D149-W160 HydrophobicContact CB-CH2 3.87Å; D149-W160 HydrophobicContact CB-CZ3 3.77Å; K158-W160 HydrophobicContact CB-CE3 4.39Å; K158-W160 HydrophobicContact CB-CH2 3.52Å; K158-W160 HydrophobicContact CB-CZ2 3.91Å; K158-W160 HydrophobicContact CB-CZ3 3.76Å; K158-W160 HydrophobicContact CD-CH2 4.2Å; K158-W160 HydrophobicContact CD-CZ2 4.02Å; K158-W160 VanDerWaalsContact O-CZ3 3.24Å; K158-W160 WeakPolarHBondContact O-CZ3 3.37Å; W160-M162 HydrophobicContact CB-CE 4.16Å; W160-V171 HydrophobicContact CB-CG1 4.3Å; W160-K172 CarbonylContact C-O 3.54Å; W160-K172 WeakPolarHBondContact CA-O 3.49Å; W160-V202 HydrophobicContact CB-CG2 4Å; W160-V202 HydrophobicContact CD2-CB 4.38Å; W160-V202 HydrophobicContact CD2-CG1 4.08Å; W160-V202 HydrophobicContact CD2-CG2 3.91Å; W160-V202 HydrophobicContact CE3-CB 4.23Å; W160-V202 HydrophobicContact CE3-CG1 4.03Å; W160-V202 HydrophobicContact CE3-CG2 4.18Å; W160-V202 HydrophobicContact CG-CG2 3.85Å; W160-V202 HydrophobicContact CH2-CG1 4.1Å; W160-V202 HydrophobicContact CZ2-CG1 4.15Å; W160-V202 HydrophobicContact CZ3-CG1 4.06Å; W160-F222 AromaticContact CD1-CE1 3.74Å; W160-F222 AromaticContact CD1-CE2 3.62Å; W160-F222 AromaticContact CD1-CZ 3.29Å; W160-F222 HydrophobicContact CD2-CE2 4.43Å; W160-F222 AromaticContact CE2-CE2 3.88Å; W160-F222 HydrophobicContact CG-CE2 4.27Å; W160-F222 HydrophobicContact CG-CZ 4.1Å; W160-F222 HydrophobicContact CZ2-CD2 4.38Å; W160-F222 AromaticContact NE1-CD2 3.59Å; W160-F222 AromaticContact NE1-CE1 3.83Å; W160-F222 AromaticContact NE1-CE2 3.34Å; W160-F222 VanDerWaalsContact NE1-CE2 3.34Å; W160-F222 AromaticContact NE1-CG 3.93Å; W160-F222 AromaticContact NE1-CZ 3.45Å
161	Y	98.4	Very high	90.1	Very high	13 Å²	13	54.6 Å²	54.6	5%	0.051	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.2	-173.5	174.2	-85.1	0	0	0	110.3	S139 G140 W146 D163 K172 F180 W361	S139-Y161 PolarHBondContact O-OH 2.97Å; G140-Y161 WeakPolarHBondContact CA-OH 3.23Å; G140-Y161 PolarHBondContact N-OH 3.34Å; W146-Y161 HydrophobicContact CB-CD2 4.32Å; Y161-D163 HydrophobicContact CE1-CB 3.81Å; Y161-K172 HydrophobicContact CD1-CB 4.35Å; Y161-K172 HydrophobicContact CD1-CD 4.2Å; Y161-K172 PolarHBondContact N-O 3.48Å; Y161-K172 PolarHBondContact O-N 2.91Å; Y161-F180 AromaticContact CD2-CE2 3.59Å; Y161-F180 HydrophobicContact CD2-CE2 3.59Å; Y161-F180 AromaticContact CD2-CZ 3.88Å; Y161-F180 HydrophobicContact CD2-CZ 3.88Å; Y161-F180 HydrophobicContact CE2-CE2 4.24Å; Y161-F180 HydrophobicContact CE2-CZ 4.36Å; Y161-F180 HydrophobicContact CG-CE2 4.18Å; Y161-W361 HydrophobicContact CD2-CH2 4.26Å; Y161-W361 AromaticContact CD2-CZ3 3.84Å; Y161-W361 HydrophobicContact CD2-CZ3 3.84Å; Y161-W361 HydrophobicContact CE1-CH2 4.44Å; Y161-W361 AromaticContact CE2-CH2 3.36Å; Y161-W361 HydrophobicContact CE2-CH2 3.36Å; Y161-W361 AromaticContact CE2-CZ3 3.35Å; Y161-W361 HydrophobicContact CE2-CZ3 3.35Å; Y161-W361 AromaticContact CZ-CH2 3.47Å; Y161-W361 VanDerWaalsContact CZ-CH2 3.47Å; Y161-W361 AromaticContact CZ-CZ3 3.92Å; Y161-W361 WeakPolarHBondContact OH-CH2 3.17Å
162	M	98.2	Very high	90.6	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	106.7	-177.2	-72	139.1	-69.5	0	0	108.8	G144 A145 M147 W160 V171 W195 H200 L207	G144-M162 CarbonylContact C-O 3.53Å; G144-M162 WeakPolarHBondContact CA-O 3.41Å; A145-M162 HydrophobicContact CB-CB 4.43Å; A145-M162 HydrophobicContact CB-CE 4.36Å; A145-M162 PolarHBondContact N-O 2.93Å; A145-M162 PolarHBondContact O-N 2.9Å; M147-M162 HydrophobicContact CE-CE 3.64Å; M147-M162 HydrophobicContact CG-CE 4.35Å; M147-M162 HydrophobicContact SD-CE 4Å; W160-M162 HydrophobicContact CB-CE 4.16Å; M162-V171 HydrophobicContact CG-CB 4.3Å; M162-V171 HydrophobicContact CG-CG1 4.04Å; M162-V171 HydrophobicContact CG-CG2 3.86Å; M162-V171 HydrophobicContact SD-CG1 4.31Å; M162-V171 HydrophobicContact SD-CG2 4.35Å; M162-W195 HydrophobicContact CB-CH2 3.98Å; M162-W195 HydrophobicContact CB-CZ2 3.87Å; M162-W195 HydrophobicContact CG-CH2 4.03Å; M162-W195 HydrophobicContact CG-CZ2 4.37Å; M162-W195 HydrophobicContact CG-CZ3 4.32Å; M162-H200 HydrophobicContact SD-CB 4.08Å; M162-L207 HydrophobicContact SD-CD1 3.9Å; M162-L207 HydrophobicContact SD-CD2 4.43Å
163	D	97.6	Very high	91.2	Very high	37 Å²	37	54.5 Å²	54.5	20%	0.198	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	145.4	179.3	-164.4	4.8	0	0	0	111.2	G140 T141 Y161 N168 W195	G140-D163 WeakPolarHBondContact CA-OD2 3.31Å; T141-D163 WeakPolarHBondContact CB-OD1 3.4Å; T141-D163 PolarHBondContact N-OD1 3.19Å; T141-D163 PolarHBondContact N-OD2 2.74Å; T141-D163 PolarHBondContact OG1-OD1 3.25Å; Y161-D163 HydrophobicContact CE1-CB 3.81Å; D163-N168 PolarHBondContact O-ND2 2.65Å; D163-W195 WeakPolarHBondContact O-CZ2 3.41Å
164	S	97.2	Very high	92.4	Very high	27 Å²	27	52.5 Å²	52.5	19%	0.189	25%	0.251	C	S	.	.			trans	69.9	154.2	-175	-174.1	0	0	0	0	114.6	F143 T166 W195	F143-S164 WeakPolarHBondContact O-CA 3.3Å; F143-S164 PolarHBondContact O-N 2.72Å; S164-T166 PolarHBondContact OG-N 3.41Å; S164-T166 PolarHBondContact OG-O 2.88Å; S164-W195 PolarHBondContact O-NE1 3.14Å
165	Y	96.8	Very high	93.7	Very high	66 Å²	66	52.4 Å²	52.4	26%	0.259	25%	0.245	S	C	.	.	S	Bend	trans	-91.8	-6.9	173.9	69.3	-91.9	0	0	0	113.1	F143 G197 W246 G248 F249	F143-Y165 HydrophobicContact CB-CD1 3.79Å; F143-Y165 HydrophobicContact CD1-CD1 4.46Å; F143-Y165 AromaticContact CD2-CD1 3.48Å; F143-Y165 HydrophobicContact CD2-CD1 3.48Å; F143-Y165 VanDerWaalsContact CD2-CD1 3.48Å; F143-Y165 AromaticContact CD2-CE1 3.6Å; F143-Y165 HydrophobicContact CD2-CE1 3.6Å; F143-Y165 HydrophobicContact CE2-CD1 4.13Å; F143-Y165 AromaticContact CE2-CE1 3.81Å; F143-Y165 HydrophobicContact CE2-CE1 3.81Å; F143-Y165 AromaticContact CG-CD1 3.67Å; F143-Y165 HydrophobicContact CG-CD1 3.67Å; F143-Y165 HydrophobicContact CG-CE1 4.21Å; Y165-G197 WeakPolarHBondContact CA-O 3.36Å; Y165-G197 PolarHBondContact O-N 3.07Å; Y165-W246 HydrophobicContact CD1-CZ3 4.49Å; Y165-W246 HydrophobicContact CG-CZ3 4.3Å; Y165-G248 VanDerWaalsContact CD2-CA 3.47Å; Y165-G248 WeakPolarHBondContact CD2-O 3.5Å; Y165-F249 AromaticContact CD2-CD2 3.7Å; Y165-F249 HydrophobicContact CD2-CD2 3.7Å; Y165-F249 HydrophobicContact CD2-CE2 4.13Å; Y165-F249 AromaticContact CE2-CD2 3.67Å; Y165-F249 HydrophobicContact CE2-CD2 3.67Å; Y165-F249 AromaticContact CE2-CE2 3.63Å; Y165-F249 HydrophobicContact CE2-CE2 3.63Å
166	T	94.9	Very high	95.1	Very high	17 Å²	17	43.8 Å²	43.8	10%	0.104	21%	0.21	C	C	.	.	S	Bend	trans	-156.6	165	-175.3	-164.5	0	0	0	0	112.4	S164 N168 M212 F249	S164-T166 PolarHBondContact OG-N 3.41Å; S164-T166 PolarHBondContact OG-O 2.88Å; T166-N168 PolarHBondContact O-N 2.88Å; T166-M212 WeakPolarHBondContact OG1-CE 2.86Å; T166-M212 PolarHBondContact OG1-SD 2.82Å; T166-F249 HydrophobicContact CG2-CE2 4.13Å; T166-F249 WeakPolarHBondContact OG1-CE2 3.31Å
167	N	91.1	Very high	95.9	Very high	110 Å²	110	43.8 Å²	43.8	59%	0.588	21%	0.21	S	C	*	.	S	Bend	trans	56.2	11.2	175.4	-77.5	-45.6	0	0	0	116.1	K194	N167-K194 PolarHBondContact OD1-NZ 2.86Å
168	N	94.4	Very high	96.5	Very high	35 Å²	35	44.6 Å²	44.6	19%	0.187	22%	0.221	C	C	.	.			trans	-113.3	155.9	175.5	-162.2	0.2	0	0	0	110.4	D163 T166 I170 K194 W195	D163-N168 PolarHBondContact O-ND2 2.65Å; T166-N168 PolarHBondContact O-N 2.88Å; N168-I170 WeakPolarHBondContact OD1-CB 3.46Å; N168-I170 PolarHBondContact OD1-N 2.71Å; N168-K194 WeakPolarHBondContact O-CA 3.45Å; N168-W195 HydrophobicContact CB-CH2 3.83Å; N168-W195 HydrophobicContact CB-CZ2 3.54Å; N168-W195 PolarHBondContact O-N 2.84Å
169	R	96.4	Very high	96.5	Very high	114 Å²	114	44 Å²	44	43%	0.43	22%	0.22	S	C	.	.			trans	-145.2	11.1	178.1	60.8	174.8	173.3	154.1	-3.4	112.2	N190 L191 K194 W195	R169-N190 WeakPolarHBondContact CD-OD1 3.34Å; R169-N190 WeakPolarHBondContact CG-OD1 3.24Å; R169-N190 PolarHBondContact NE-OD1 2.89Å; R169-N190 PolarHBondContact NH1-OD1 3.09Å; R169-L191 HydrophobicContact CB-CB 4.22Å; R169-L191 WeakPolarHBondContact CD-O 3.49Å; R169-L191 WeakPolarHBondContact O-CG 3.3Å; R169-L191 PolarHBondContact O-N 2.63Å; R169-K194 HydrophobicContact CB-CG 4.38Å; R169-W195 VanDerWaalsContact C-CZ3 3.45Å
170	I	98.2	Very high	96.5	Very high	74 Å²	74	44 Å²	44	38%	0.379	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117	-174.8	-64.1	168.7	0	0	0	109.1	N168 T188 Y189 W195	N168-I170 WeakPolarHBondContact OD1-CB 3.46Å; N168-I170 PolarHBondContact OD1-N 2.71Å; I170-T188 HydrophobicContact CG2-CG2 3.48Å; I170-T188 VanDerWaalsContact CG2-CG2 3.48Å; I170-Y189 WeakPolarHBondContact CA-O 3.19Å; I170-W195 WeakPolarHBondContact O-CH2 3.46Å
171	V	98.4	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.8	173.3	-174.7	0	0	0	0	108.2	W160 M162 T188 Y189 L191 W195 L207 F222	W160-V171 HydrophobicContact CB-CG1 4.3Å; M162-V171 HydrophobicContact CG-CB 4.3Å; M162-V171 HydrophobicContact CG-CG1 4.04Å; M162-V171 HydrophobicContact CG-CG2 3.86Å; M162-V171 HydrophobicContact SD-CG1 4.31Å; M162-V171 HydrophobicContact SD-CG2 4.35Å; V171-T188 WeakPolarHBondContact O-CA 3.23Å; V171-Y189 PolarHBondContact N-O 3.3Å; V171-Y189 PolarHBondContact O-N 2.79Å; V171-L191 HydrophobicContact CG2-CD1 3.75Å; V171-L191 HydrophobicContact CG2-CD2 4.11Å; V171-L191 HydrophobicContact CG2-CG 3.9Å; V171-W195 HydrophobicContact CG2-CZ3 4.22Å; V171-L207 HydrophobicContact CG2-CD2 3.86Å; V171-F222 HydrophobicContact CG1-CE1 4.08Å; V171-F222 HydrophobicContact CG1-CZ 4.21Å
172	K	98.4	Very high	96.4	Very high	62 Å²	62	50 Å²	50	27%	0.27	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.8	175.2	-63.6	-178	172.1	-165.9	0	110.1	W160 Y161 Y174 E185	W160-K172 CarbonylContact C-O 3.54Å; W160-K172 WeakPolarHBondContact CA-O 3.49Å; Y161-K172 HydrophobicContact CD1-CB 4.35Å; Y161-K172 HydrophobicContact CD1-CD 4.2Å; Y161-K172 PolarHBondContact N-O 3.48Å; Y161-K172 PolarHBondContact O-N 2.91Å; K172-Y174 HydrophobicContact CB-CE2 3.98Å; K172-E185 HydrophobicContact CD-CG 4.5Å; K172-E185 WeakPolarHBondContact CD-OE1 3.37Å; K172-E185 WeakPolarHBondContact CE-OE1 3.49Å; K172-E185 IonicContact NZ-OE1 2.92Å; K172-E185 PolarHBondContact NZ-OE1 3.02Å; K172-E185 IonicContact NZ-OE2 2.71Å
173	E	98.2	Very high	96.3	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.023	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.1	173.6	179.4	-171	104.7	0	0	110.4	K158 V159 S186 M187 Y189	K158-E173 HydrophobicContact CD-CG 4.23Å; K158-E173 WeakPolarHBondContact CD-OE2 3.43Å; K158-E173 VanDerWaalsContact CE-OE1 3.28Å; K158-E173 WeakPolarHBondContact CE-OE1 3.27Å; K158-E173 HydrophobicContact CG-CG 4.27Å; K158-E173 IonicContact NZ-OE1 3.61Å; K158-E173 PolarHBondContact NZ-OE1 2.93Å; K158-E173 IonicContact NZ-OE2 3.26Å; K158-E173 PolarHBondContact NZ-OE2 3.44Å; V159-E173 CarbonylContact O-C 3.5Å; V159-E173 WeakPolarHBondContact O-CA 3.31Å; E173-S186 WeakPolarHBondContact O-CB 3.16Å; E173-S186 PolarHBondContact O-N 2.93Å; E173-M187 HydrophobicContact CB-CB 4.24Å; E173-M187 PolarHBondContact N-O 3.36Å; E173-M187 PolarHBondContact O-N 3.34Å; E173-Y189 HydrophobicContact CB-CE2 3.89Å; E173-Y189 PolarHBondContact OE2-OH 2.89Å
174	Y	97.9	Very high	96.3	Very high	8 Å²	8	54 Å²	54	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.8	170	-56.3	-99.1	0	0	0	108.5	K158 V159 K172 S176 F180 V184 E185	K158-Y174 CarbonylContact C-O 3.58Å; K158-Y174 WeakPolarHBondContact CA-O 3.17Å; V159-Y174 PolarHBondContact N-O 3.34Å; V159-Y174 PolarHBondContact O-N 2.84Å; K172-Y174 HydrophobicContact CB-CE2 3.98Å; Y174-S176 PolarHBondContact O-N 2.89Å; Y174-F180 HydrophobicContact CD1-CB 4.27Å; Y174-F180 HydrophobicContact CD1-CD2 4.29Å; Y174-F180 HydrophobicContact CD2-CB 4.32Å; Y174-F180 AromaticContact CD2-CD2 3.58Å; Y174-F180 HydrophobicContact CD2-CD2 3.58Å; Y174-F180 HydrophobicContact CD2-CE2 4.39Å; Y174-F180 HydrophobicContact CD2-CG 4.39Å; Y174-F180 HydrophobicContact CE1-CD2 4.26Å; Y174-F180 AromaticContact CE2-CD2 3.55Å; Y174-F180 HydrophobicContact CE2-CD2 3.55Å; Y174-F180 HydrophobicContact CE2-CE2 4.02Å; Y174-F180 HydrophobicContact CG-CB 3.94Å; Y174-F180 AromaticContact CG-CD2 3.97Å; Y174-F180 HydrophobicContact CG-CD2 3.97Å; Y174-F180 HydrophobicContact CG-CG 4.47Å; Y174-F180 AromaticContact CZ-CD2 3.9Å; Y174-V184 VanDerWaalsContact CD1-O 3.25Å; Y174-V184 WeakPolarHBondContact CD1-O 3.19Å; Y174-E185 HydrophobicContact CD1-CG 4.48Å; Y174-E185 HydrophobicContact CE1-CB 4.35Å; Y174-E185 HydrophobicContact CE1-CG 3.62Å
175	K	95.1	Very high	96.3	Very high	138 Å²	138	57 Å²	57	60%	0.6	31%	0.31	S	S	*	.	S	Bend	trans	-70.4	-22.5	-176.3	-60.5	-176.2	179.1	174.8	0	113.3	N157 D179 S186	N157-K175 CarbonylContact C-O 3.58Å; K175-D179 WeakPolarHBondContact CB-OD2 3.33Å; K175-S186 VanDerWaalsContact CE-OG 3.23Å; K175-S186 WeakPolarHBondContact CE-OG 3.49Å; K175-S186 VanDerWaalsContact CG-OG 3.31Å; K175-S186 WeakPolarHBondContact CG-OG 3.39Å
176	S	94.2	Very high	96.3	Very high	24 Å²	24	56.3 Å²	56.3	17%	0.168	32%	0.315	C	S	.	.	S	Bend	trans	-153.9	163.9	-175.5	65	0	0	0	0	111.6	N157 Y174 S178 D179 F180	N157-S176 VanDerWaalsContact O-CA 3.3Å; N157-S176 WeakPolarHBondContact O-CA 3.4Å; Y174-S176 PolarHBondContact O-N 2.89Å; S176-S178 PolarHBondContact O-N 3.3Å; S176-S178 PolarHBondContact OG-OG 2.56Å; S176-D179 PolarHBondContact O-N 3.06Å; S176-D179 WeakPolarHBondContact OG-CB 3.39Å; S176-D179 PolarHBondContact OG-N 3.47Å; S176-D179 PolarHBondContact OG-OD2 3.37Å; S176-F180 WeakPolarHBondContact O-CB 3.3Å; S176-F180 PolarHBondContact O-N 2.01Å
177	I	93.6	Very high	96.3	Very high	59 Å²	59	60.3 Å²	60.3	30%	0.303	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-37.4	168.9	-66.4	-77.2	0	0	0	110.9	V136 W146 T148 V159 F180 V181	V136-I177 HydrophobicContact CG1-CG2 4.17Å; W146-I177 HydrophobicContact CZ3-CD1 4.02Å; T148-I177 HydrophobicContact CG2-CD1 4.46Å; V159-I177 HydrophobicContact CG2-CD1 3.51Å; V159-I177 HydrophobicContact CG2-CG1 3.98Å; I177-F180 WeakPolarHBondContact O-CB 3.41Å; I177-F180 PolarHBondContact O-N 2.88Å; I177-V181 HydrophobicContact CG2-CG2 4.43Å; I177-V181 VanDerWaalsContact O-CG2 3.31Å; I177-V181 WeakPolarHBondContact O-CG2 3.4Å; I177-V181 PolarHBondContact O-N 3.27Å
178	S	95.3	Very high	96.6	Very high	82 Å²	82	58.6 Å²	58.6	57%	0.573	33%	0.327	S	S	*	.	H	α-helix	trans	-62.5	-43.7	175.7	38.2	0	0	0	0	112.5	S176 F180 V181 A182	S176-S178 PolarHBondContact O-N 3.3Å; S176-S178 PolarHBondContact OG-OG 2.56Å; S178-F180 VanDerWaalsContact C-N 3.32Å; S178-V181 PolarHBondContact O-N 2.92Å; S178-A182 WeakPolarHBondContact O-CB 3.45Å; S178-A182 PolarHBondContact O-N 3.33Å
179	D	96.9	Very high	96.8	Very high	45 Å²	45	57.8 Å²	57.8	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-67.3	-37.7	176.5	-63.6	-34.1	0	0	0	111	K175 S176 A182 G183 V184	K175-D179 WeakPolarHBondContact CB-OD2 3.33Å; S176-D179 PolarHBondContact O-N 3.06Å; S176-D179 WeakPolarHBondContact OG-CB 3.39Å; S176-D179 PolarHBondContact OG-N 3.47Å; S176-D179 PolarHBondContact OG-OD2 3.37Å; D179-A182 CarbonylContact O-C 3.55Å; D179-A182 PolarHBondContact O-N 2.76Å; D179-G183 PolarHBondContact O-N 3.32Å; D179-V184 HydrophobicContact CB-CB 4.19Å; D179-V184 PolarHBondContact O-N 2.65Å
180	F	97.6	Very high	96.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.3	-50.2	173	177.1	-120.8	0	0	0	111.3	V136 K137 W146 V159 Y161 Y174 S176 I177 S178 A182 G183 Q366	V136-F180 HydrophobicContact CG1-CD1 4.04Å; V136-F180 HydrophobicContact CG1-CE1 4.13Å; K137-F180 HydrophobicContact CB-CD1 4.35Å; K137-F180 HydrophobicContact CB-CE1 3.68Å; K137-F180 HydrophobicContact CB-CZ 3.97Å; K137-F180 HydrophobicContact CD-CD1 4.2Å; K137-F180 HydrophobicContact CD-CD2 3.99Å; K137-F180 HydrophobicContact CD-CE1 3.8Å; K137-F180 HydrophobicContact CD-CE2 3.57Å; K137-F180 HydrophobicContact CD-CG 4.28Å; K137-F180 HydrophobicContact CD-CZ 3.46Å; K137-F180 VanDerWaalsContact CD-CZ 3.46Å; K137-F180 VanDerWaalsContact CD-O 3.29Å; K137-F180 WeakPolarHBondContact CD-O 3.36Å; K137-F180 VanDerWaalsContact CE-O 3.25Å; K137-F180 WeakPolarHBondContact CE-O 3.16Å; K137-F180 HydrophobicContact CG-CE1 4.4Å; K137-F180 HydrophobicContact CG-CZ 4.33Å; K137-F180 PolarHBondContact NZ-O 3.41Å; W146-F180 HydrophobicContact CD2-CE1 4.45Å; W146-F180 HydrophobicContact CE3-CD1 4.34Å; W146-F180 AromaticContact CE3-CE1 3.78Å; W146-F180 HydrophobicContact CE3-CE1 3.78Å; W146-F180 HydrophobicContact CE3-CZ 4.32Å; W146-F180 HydrophobicContact CZ3-CD1 4.38Å; W146-F180 HydrophobicContact CZ3-CE1 4.08Å; V159-F180 HydrophobicContact CB-CB 4.18Å; V159-F180 HydrophobicContact CB-CG 4.34Å; V159-F180 HydrophobicContact CG1-CB 4.31Å; V159-F180 HydrophobicContact CG1-CD1 4.15Å; V159-F180 HydrophobicContact CG1-CD2 4.13Å; V159-F180 HydrophobicContact CG1-CG 3.92Å; V159-F180 HydrophobicContact CG2-CB 4.06Å; V159-F180 HydrophobicContact CG2-CG 4.49Å; Y161-F180 AromaticContact CD2-CE2 3.59Å; Y161-F180 HydrophobicContact CD2-CE2 3.59Å; Y161-F180 AromaticContact CD2-CZ 3.88Å; Y161-F180 HydrophobicContact CD2-CZ 3.88Å; Y161-F180 HydrophobicContact CE2-CE2 4.24Å; Y161-F180 HydrophobicContact CE2-CZ 4.36Å; Y161-F180 HydrophobicContact CG-CE2 4.18Å; Y174-F180 HydrophobicContact CD1-CB 4.27Å; Y174-F180 HydrophobicContact CD1-CD2 4.29Å; Y174-F180 HydrophobicContact CD2-CB 4.32Å; Y174-F180 AromaticContact CD2-CD2 3.58Å; Y174-F180 HydrophobicContact CD2-CD2 3.58Å; Y174-F180 HydrophobicContact CD2-CE2 4.39Å; Y174-F180 HydrophobicContact CD2-CG 4.39Å; Y174-F180 HydrophobicContact CE1-CD2 4.26Å; Y174-F180 AromaticContact CE2-CD2 3.55Å; Y174-F180 HydrophobicContact CE2-CD2 3.55Å; Y174-F180 HydrophobicContact CE2-CE2 4.02Å; Y174-F180 HydrophobicContact CG-CB 3.94Å; Y174-F180 AromaticContact CG-CD2 3.97Å; Y174-F180 HydrophobicContact CG-CD2 3.97Å; Y174-F180 HydrophobicContact CG-CG 4.47Å; Y174-F180 AromaticContact CZ-CD2 3.9Å; S176-F180 WeakPolarHBondContact O-CB 3.3Å; S176-F180 PolarHBondContact O-N 2.01Å; I177-F180 WeakPolarHBondContact O-CB 3.41Å; I177-F180 PolarHBondContact O-N 2.88Å; S178-F180 VanDerWaalsContact C-N 3.32Å; F180-A182 PolarHBondContact O-N 3.01Å; F180-G183 PolarHBondContact O-N 3.27Å; F180-G183 VanDerWaalsContact O-N 3.14Å; F180-Q366 HydrophobicContact CE1-CB 4.12Å; F180-Q366 HydrophobicContact CE1-CG 4.24Å; F180-Q366 HydrophobicContact CZ-CB 4.23Å; F180-Q366 HydrophobicContact CZ-CG 3.84Å
181	V	96.9	Very high	96.9	Very high	75 Å²	75	53.1 Å²	53.1	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-46.5	176.6	173	0	0	0	0	111	V136 K137 I177 S178 G183	V136-V181 HydrophobicContact CG1-CG2 3.89Å; V136-V181 WeakPolarHBondContact O-CG2 3.38Å; K137-V181 PolarHBondContact NZ-O 2.9Å; I177-V181 HydrophobicContact CG2-CG2 4.43Å; I177-V181 VanDerWaalsContact O-CG2 3.31Å; I177-V181 WeakPolarHBondContact O-CG2 3.4Å; I177-V181 PolarHBondContact O-N 3.27Å; S178-V181 PolarHBondContact O-N 2.92Å; V181-G183 PolarHBondContact O-N 3.22Å
182	A	96.9	Very high	96.8	Very high	73 Å²	73	56.5 Å²	56.5	60%	0.603	33%	0.328	S	S	*	.	H	α-helix	trans	-68.8	-17.5	178.6	0	0	0	0	0	114	S178 D179 F180 V184	S178-A182 WeakPolarHBondContact O-CB 3.45Å; S178-A182 PolarHBondContact O-N 3.33Å; D179-A182 CarbonylContact O-C 3.55Å; D179-A182 PolarHBondContact O-N 2.76Å; F180-A182 PolarHBondContact O-N 3.01Å; A182-V184 HydrophobicContact CB-CG2 3.94Å
183	G	96.2	Very high	96.8	Very high	36 Å²	36	56.4 Å²	56.4	37%	0.371	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	24.2	-176.2	0	0	0	0	0	113.7	D179 F180 V181 E185	D179-G183 PolarHBondContact O-N 3.32Å; F180-G183 PolarHBondContact O-N 3.27Å; F180-G183 VanDerWaalsContact O-N 3.14Å; V181-G183 PolarHBondContact O-N 3.22Å; G183-E185 PolarHBondContact O-N 3.33Å
184	V	97.4	Very high	96.8	Very high	84 Å²	84	60.4 Å²	60.4	51%	0.509	35%	0.345	S	S	.	.			trans	-88.5	90.2	179.7	-177.4	0	0	0	0	109.3	Y174 D179 A182	Y174-V184 VanDerWaalsContact CD1-O 3.25Å; Y174-V184 WeakPolarHBondContact CD1-O 3.19Å; D179-V184 HydrophobicContact CB-CB 4.19Å; D179-V184 PolarHBondContact O-N 2.65Å; A182-V184 HydrophobicContact CB-CG2 3.94Å
185	E	97	Very high	96.8	Very high	91 Å²	91	60 Å²	60	43%	0.425	34%	0.344	S	S	.	.			trans	-65.9	132	179.4	-64.1	177.6	-168.4	0	0	111.2	K172 Y174 G183	K172-E185 HydrophobicContact CD-CG 4.5Å; K172-E185 WeakPolarHBondContact CD-OE1 3.37Å; K172-E185 WeakPolarHBondContact CE-OE1 3.49Å; K172-E185 IonicContact NZ-OE1 2.92Å; K172-E185 PolarHBondContact NZ-OE1 3.02Å; K172-E185 IonicContact NZ-OE2 2.71Å; Y174-E185 HydrophobicContact CD1-CG 4.48Å; Y174-E185 HydrophobicContact CE1-CB 4.35Å; Y174-E185 HydrophobicContact CE1-CG 3.62Å; G183-E185 PolarHBondContact O-N 3.33Å
186	S	96.3	Very high	96.9	Very high	50 Å²	50	53.7 Å²	53.7	35%	0.35	32%	0.317	S	S	.	.			trans	-93.3	-47.6	177.7	-176.1	0	0	0	0	111.5	E173 K175	E173-S186 WeakPolarHBondContact O-CB 3.16Å; E173-S186 PolarHBondContact O-N 2.93Å; K175-S186 VanDerWaalsContact CE-OG 3.23Å; K175-S186 WeakPolarHBondContact CE-OG 3.49Å; K175-S186 VanDerWaalsContact CG-OG 3.31Å; K175-S186 WeakPolarHBondContact CG-OG 3.39Å
187	M	96.6	Very high	97.1	Very high	101 Å²	101	52.5 Å²	52.5	50%	0.498	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.1	-177.8	-162.4	149	-159.5	0	0	111.1	E173 Y189	E173-M187 HydrophobicContact CB-CB 4.24Å; E173-M187 PolarHBondContact N-O 3.36Å; E173-M187 PolarHBondContact O-N 3.34Å; M187-Y189 HydrophobicContact CB-CE2 4.16Å; M187-Y189 HydrophobicContact CG-CE1 4.38Å; M187-Y189 HydrophobicContact CG-CE2 4.15Å; M187-Y189 HydrophobicContact SD-CE1 4.29Å
188	T	97.6	Very high	97.3	Very high	74 Å²	74	49.7 Å²	49.7	45%	0.454	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.7	173.6	-66.7	0	0	0	0	109.5	I170 V171	I170-T188 HydrophobicContact CG2-CG2 3.48Å; I170-T188 VanDerWaalsContact CG2-CG2 3.48Å; V171-T188 WeakPolarHBondContact O-CA 3.23Å
189	Y	98.1	Very high	97.2	Very high	19 Å²	19	46 Å²	46	8%	0.075	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.2	177.3	-56.4	-89.7	0	0	0	110.1	I170 V171 E173 M187 Y220 F222	I170-Y189 WeakPolarHBondContact CA-O 3.19Å; V171-Y189 PolarHBondContact N-O 3.3Å; V171-Y189 PolarHBondContact O-N 2.79Å; E173-Y189 HydrophobicContact CB-CE2 3.89Å; E173-Y189 PolarHBondContact OE2-OH 2.89Å; M187-Y189 HydrophobicContact CB-CE2 4.16Å; M187-Y189 HydrophobicContact CG-CE1 4.38Å; M187-Y189 HydrophobicContact CG-CE2 4.15Å; M187-Y189 HydrophobicContact SD-CE1 4.29Å; Y189-Y220 HydrophobicContact CD1-CE1 4.22Å; Y189-F222 AromaticContact CD1-CD1 3.86Å; Y189-F222 HydrophobicContact CD1-CD1 3.86Å; Y189-F222 AromaticContact CD2-CD1 3.7Å; Y189-F222 HydrophobicContact CD2-CD1 3.7Å; Y189-F222 AromaticContact CD2-CE1 3.82Å; Y189-F222 HydrophobicContact CD2-CE1 3.82Å; Y189-F222 HydrophobicContact CE1-CB 4.15Å; Y189-F222 AromaticContact CE1-CD1 3.82Å; Y189-F222 HydrophobicContact CE1-CD1 3.82Å; Y189-F222 HydrophobicContact CE1-CG 4.47Å; Y189-F222 WeakPolarHBondContact CE1-O 3.39Å; Y189-F222 AromaticContact CE2-CD1 3.65Å; Y189-F222 HydrophobicContact CE2-CD1 3.65Å; Y189-F222 HydrophobicContact CE2-CE1 4.1Å; Y189-F222 HydrophobicContact CE2-CG 4.46Å; Y189-F222 AromaticContact CG-CD1 3.8Å; Y189-F222 HydrophobicContact CG-CD1 3.8Å; Y189-F222 HydrophobicContact CG-CE1 4.07Å; Y189-F222 AromaticContact CZ-CD1 3.71Å
190	N	97.8	Very high	97.1	Very high	89 Å²	89	43.9 Å²	43.9	48%	0.476	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	102.7	175.2	-173.8	5.1	0	0	0	109.1	R169	R169-N190 WeakPolarHBondContact CD-OD1 3.34Å; R169-N190 WeakPolarHBondContact CG-OD1 3.24Å; R169-N190 PolarHBondContact NE-OD1 2.89Å; R169-N190 PolarHBondContact NH1-OD1 3.09Å
191	L	98.1	Very high	97.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.26	C	S	.	.			trans	-68.4	144.6	-175.1	-57.7	178.5	0	0	0	111.2	R169 V171 F193 W195 L207 Y209 Y220	R169-L191 HydrophobicContact CB-CB 4.22Å; R169-L191 WeakPolarHBondContact CD-O 3.49Å; R169-L191 WeakPolarHBondContact O-CG 3.3Å; R169-L191 PolarHBondContact O-N 2.63Å; V171-L191 HydrophobicContact CG2-CD1 3.75Å; V171-L191 HydrophobicContact CG2-CD2 4.11Å; V171-L191 HydrophobicContact CG2-CG 3.9Å; L191-F193 PolarHBondContact O-N 2.91Å; L191-W195 HydrophobicContact CD1-CE3 3.76Å; L191-W195 HydrophobicContact CD1-CZ3 3.91Å; L191-L207 HydrophobicContact CD1-CD2 3.73Å; L191-L207 HydrophobicContact CD2-CD2 4.08Å; L191-Y209 HydrophobicContact CD1-CD1 4.42Å; L191-Y209 HydrophobicContact CD1-CE1 4.01Å; L191-Y209 HydrophobicContact CD1-CE2 4.33Å; L191-Y220 HydrophobicContact CD2-CD1 3.63Å; L191-Y220 HydrophobicContact CD2-CD2 3.93Å; L191-Y220 HydrophobicContact CD2-CE1 3.78Å; L191-Y220 HydrophobicContact CD2-CE2 4.07Å; L191-Y220 HydrophobicContact CD2-CG 3.7Å
192	P	97.1	Very high	97.2	Very high	71 Å²	71	41 Å²	41	46%	0.461	24%	0.239	S	C	.	.	S	Bend	trans	-63.5	-27.9	176.5	-26.4	37.7	0	0	0	113.6	V227	P192-V227 HydrophobicContact CB-CG2 4.42Å; P192-V227 HydrophobicContact CG-CG2 3.9Å
193	F	97.6	Very high	97.2	Very high	60 Å²	60	39.1 Å²	39.1	26%	0.263	22%	0.217	S	C	.	.	S	Bend	trans	-126	140.7	179.2	-49.1	-64.4	0	0	0	110.9	L191 Y209 K211 V218 V227	L191-F193 PolarHBondContact O-N 2.91Å; F193-Y209 HydrophobicContact CB-CE2 4.37Å; F193-Y209 WeakPolarHBondContact O-CE2 3.45Å; F193-Y209 PolarHBondContact O-OH 2.99Å; F193-K211 HydrophobicContact CB-CD 4.41Å; F193-K211 HydrophobicContact CB-CG 4.13Å; F193-K211 HydrophobicContact CD1-CD 4.4Å; F193-K211 HydrophobicContact CD2-CD 4.41Å; F193-K211 HydrophobicContact CG-CD 4.15Å; F193-K211 HydrophobicContact CG-CG 4.41Å; F193-V218 HydrophobicContact CD2-CG1 4.41Å; F193-V218 HydrophobicContact CD2-CG2 4.27Å; F193-V227 HydrophobicContact CD2-CG2 4.44Å; F193-V227 HydrophobicContact CE2-CG2 4.21Å
194	K	98	Very high	97.1	Very high	88 Å²	88	42 Å²	42	38%	0.383	22%	0.223	S	C	.	.			trans	-63.5	150	167.5	-68.2	171.1	167.4	-174.3	0	110.3	N167 N168 R169 M212	N167-K194 PolarHBondContact OD1-NZ 2.86Å; N168-K194 WeakPolarHBondContact O-CA 3.45Å; R169-K194 HydrophobicContact CB-CG 4.38Å; K194-M212 HydrophobicContact CB-CB 3.97Å; K194-M212 WeakPolarHBondContact O-CB 3.29Å; K194-M212 PolarHBondContact O-N 3.47Å
195	W	97.9	Very high	96.9	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-95.4	161.7	174.8	63.2	76.9	0	0	0	113	M162 D163 S164 N168 R169 I170 V171 L191 H200 Y209 N210	M162-W195 HydrophobicContact CB-CH2 3.98Å; M162-W195 HydrophobicContact CB-CZ2 3.87Å; M162-W195 HydrophobicContact CG-CH2 4.03Å; M162-W195 HydrophobicContact CG-CZ2 4.37Å; M162-W195 HydrophobicContact CG-CZ3 4.32Å; D163-W195 WeakPolarHBondContact O-CZ2 3.41Å; S164-W195 PolarHBondContact O-NE1 3.14Å; N168-W195 HydrophobicContact CB-CH2 3.83Å; N168-W195 HydrophobicContact CB-CZ2 3.54Å; N168-W195 PolarHBondContact O-N 2.84Å; R169-W195 VanDerWaalsContact C-CZ3 3.45Å; I170-W195 WeakPolarHBondContact O-CH2 3.46Å; V171-W195 HydrophobicContact CG2-CZ3 4.22Å; L191-W195 HydrophobicContact CD1-CE3 3.76Å; L191-W195 HydrophobicContact CD1-CZ3 3.91Å; W195-H200 VanDerWaalsContact CB-CE1 3.41Å; W195-H200 WeakPolarHBondContact CB-CE1 3.14Å; W195-H200 AromaticContact CD1-CE1 3.37Å; W195-H200 AromaticContact CD1-NE2 3.26Å; W195-H200 VanDerWaalsContact CD1-NE2 3.26Å; W195-H200 AromaticContact CG-CE1 3.38Å; W195-H200 AromaticContact CG-NE2 3.55Å; W195-H200 AromaticContact NE1-NE2 3.56Å; W195-Y209 HydrophobicContact CB-CD2 3.68Å; W195-Y209 HydrophobicContact CB-CE2 4.34Å; W195-Y209 HydrophobicContact CB-CG 4.47Å; W195-N210 CarbonylContact C-O 3.55Å; W195-N210 VanDerWaalsContact CA-O 3.25Å; W195-N210 WeakPolarHBondContact CA-O 3.32Å
196	A	98	Very high	97	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	20%	0.195	C	C	.	.			trans	-112.6	135.3	166.3	0	0	0	0	0	109.7	N210 M212 F249	A196-N210 PolarHBondContact N-O 2.99Å; A196-M212 HydrophobicContact CB-SD 3.87Å; A196-F249 HydrophobicContact CB-CB 3.81Å
197	G	97.8	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	75.4	-167	179.3	0	0	0	0	0	113.7	Y165 H200 G248 F249	Y165-G197 WeakPolarHBondContact CA-O 3.36Å; Y165-G197 PolarHBondContact O-N 3.07Å; G197-H200 PolarHBondContact O-CE1 3.22Å; G197-H200 PolarHBondContact O-NE2 2.93Å; G197-G248 VanDerWaalsContact CA-O 3.27Å; G197-G248 WeakPolarHBondContact CA-O 3.21Å; G197-G248 PolarHBondContact N-O 2.83Å; G197-F249 PolarHBondContact N-O 3.31Å
198	T	97.8	Very high	97.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-119.9	7.5	-178.1	42	0	0	0	0	111.4	F143 G144 A145 H200 W246 S347	F143-T198 HydrophobicContact CB-CG2 4.39Å; G144-T198 WeakPolarHBondContact O-CG2 3.47Å; A145-T198 WeakPolarHBondContact CB-O 3.24Å; T198-H200 VanDerWaalsContact C-N 3.3Å; T198-H200 PolarHBondContact O-N 3.11Å; T198-H200 VanDerWaalsContact O-N 3.16Å; T198-W246 HydrophobicContact CG2-CH2 4.04Å; T198-W246 WeakPolarHBondContact OG1-CH2 3.45Å; T198-W246 VanDerWaalsContact OG1-CZ2 3.23Å; T198-W246 WeakPolarHBondContact OG1-CZ2 3.34Å; T198-S347 VanDerWaalsContact CB-O 3.25Å; T198-S347 WeakPolarHBondContact CB-O 3.4Å; T198-S347 PolarHBondContact OG1-O 2.89Å
199	N	92.9	Very high	97.3	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.134	C	C	.	.			trans	-96.4	53.1	-167.9	-51.3	-22.2	0	0	0	111.6	S250 I252 D253 L254	N199-S250 WeakPolarHBondContact ND2-CA 3.32Å; N199-S250 PolarHBondContact ND2-O 3.15Å; N199-I252 PolarHBondContact ND2-O 3.14Å; N199-D253 VanDerWaalsContact CB-CA 3.48Å; N199-D253 HydrophobicContact CB-CB 3.9Å; N199-D253 WeakPolarHBondContact CB-OD1 3.45Å; N199-L254 PolarHBondContact O-N 2.79Å
200	H	95.6	Very high	97.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	13%	0.131	C	C	.	.			trans	-94.6	154.9	-179.7	-41.5	-58.6	0	0	0	108.9	M147 M162 W195 G197 T198 L207 Y208 Y209	M147-H200 HydrophobicContact CE-CB 4.26Å; M147-H200 WeakPolarHBondContact CE-O 3.23Å; M147-H200 VanDerWaalsContact SD-O 3.34Å; M162-H200 HydrophobicContact SD-CB 4.08Å; W195-H200 VanDerWaalsContact CB-CE1 3.41Å; W195-H200 WeakPolarHBondContact CB-CE1 3.14Å; W195-H200 AromaticContact CD1-CE1 3.37Å; W195-H200 AromaticContact CD1-NE2 3.26Å; W195-H200 VanDerWaalsContact CD1-NE2 3.26Å; W195-H200 AromaticContact CG-CE1 3.38Å; W195-H200 AromaticContact CG-NE2 3.55Å; W195-H200 AromaticContact NE1-NE2 3.56Å; G197-H200 PolarHBondContact O-CE1 3.22Å; G197-H200 PolarHBondContact O-NE2 2.93Å; T198-H200 VanDerWaalsContact C-N 3.3Å; T198-H200 PolarHBondContact O-N 3.11Å; T198-H200 VanDerWaalsContact O-N 3.16Å; H200-L207 HydrophobicContact CB-CD1 4.04Å; H200-Y208 WeakPolarHBondContact CA-O 3.47Å; H200-Y209 VanDerWaalsContact ND1-CB 3.28Å; H200-Y209 WeakPolarHBondContact ND1-CB 3.36Å
201	V	98.1	Very high	97.3	Very high	13 Å²	13	22.2 Å²	22.2	8%	0.079	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137	173.3	55.9	0	0	0	0	111.2	M147 Y208 L254 V256 L261	M147-V201 VanDerWaalsContact SD-CA 3.51Å; V201-Y208 PolarHBondContact N-O 3.34Å; V201-Y208 PolarHBondContact O-N 3.43Å; V201-L254 HydrophobicContact CG1-CB 3.66Å; V201-V256 HydrophobicContact CG1-CG2 4.36Å; V201-V256 HydrophobicContact CG2-CB 4Å; V201-V256 HydrophobicContact CG2-CG2 3.48Å; V201-V256 VanDerWaalsContact CG2-CG2 3.48Å; V201-L261 HydrophobicContact CG1-CD1 3.66Å
202	V	98.1	Very high	97.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.9	166.7	-179.6	0	0	0	0	108.5	M147 D149 P150 W160 S206 L207 F222	M147-V202 HydrophobicContact CG-CB 4.18Å; M147-V202 HydrophobicContact CG-CG2 3.86Å; M147-V202 HydrophobicContact SD-CB 4.26Å; M147-V202 HydrophobicContact SD-CG2 3.8Å; M147-V202 PolarHBondContact SD-N 3.49Å; D149-V202 HydrophobicContact CB-CG1 3.87Å; P150-V202 WeakPolarHBondContact CD-O 3.32Å; W160-V202 HydrophobicContact CB-CG2 4Å; W160-V202 HydrophobicContact CD2-CB 4.38Å; W160-V202 HydrophobicContact CD2-CG1 4.08Å; W160-V202 HydrophobicContact CD2-CG2 3.91Å; W160-V202 HydrophobicContact CE3-CB 4.23Å; W160-V202 HydrophobicContact CE3-CG1 4.03Å; W160-V202 HydrophobicContact CE3-CG2 4.18Å; W160-V202 HydrophobicContact CG-CG2 3.85Å; W160-V202 HydrophobicContact CH2-CG1 4.1Å; W160-V202 HydrophobicContact CZ2-CG1 4.15Å; W160-V202 HydrophobicContact CZ3-CG1 4.06Å; V202-S206 CarbonylContact C-O 3.52Å; V202-S206 WeakPolarHBondContact CA-O 3.21Å; V202-L207 HydrophobicContact CG2-CD1 3.85Å; V202-F222 HydrophobicContact CB-CE2 4.47Å; V202-F222 HydrophobicContact CG1-CD2 4.43Å; V202-F222 HydrophobicContact CG1-CE2 3.85Å; V202-F222 HydrophobicContact CG2-CE2 3.77Å; V202-F222 HydrophobicContact CG2-CZ 4.14Å
203	Y	96.9	Very high	97.3	Very high	34 Å²	34	26.5 Å²	26.5	13%	0.133	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	124.2	-178.8	-173.4	-118.3	0	0	0	110.5	P150 L151 G205 S206 Y208 V256 P281	P150-Y203 HydrophobicContact CG-CD2 4.05Å; P150-Y203 HydrophobicContact CG-CE2 4.46Å; L151-Y203 HydrophobicContact CD1-CD2 3.92Å; L151-Y203 HydrophobicContact CD1-CE1 4.1Å; L151-Y203 HydrophobicContact CD1-CE2 3.3Å; L151-Y203 VanDerWaalsContact CD1-CZ 3.4Å; L151-Y203 HydrophobicContact CD2-CE2 4.37Å; L151-Y203 HydrophobicContact CG-CD2 4.07Å; L151-Y203 HydrophobicContact CG-CE2 3.54Å; Y203-G205 PolarHBondContact O-N 3.27Å; Y203-S206 PolarHBondContact N-O 3.43Å; Y203-S206 PolarHBondContact O-N 3.28Å; Y203-S206 VanDerWaalsContact O-N 3.12Å; Y203-Y208 HydrophobicContact CD1-CE2 4.48Å; Y203-V256 HydrophobicContact CD2-CB 4.27Å; Y203-V256 HydrophobicContact CD2-CG1 3.56Å; Y203-V256 HydrophobicContact CD2-CG2 3.76Å; Y203-V256 HydrophobicContact CE2-CG1 3.53Å; Y203-V256 HydrophobicContact CE2-CG2 4.31Å; Y203-V256 HydrophobicContact CG-CG1 4.45Å; Y203-V256 HydrophobicContact CG-CG2 3.85Å; Y203-P281 HydrophobicContact CD1-CB 4.01Å; Y203-P281 HydrophobicContact CE1-CB 3.86Å; Y203-P281 HydrophobicContact CE1-CG 4.23Å
204	N	93.8	Very high	97.3	Very high	96 Å²	96	24.4 Å²	24.4	51%	0.513	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	49.6	179.5	-160.7	25.1	0	0	0	113.4	D149 L151 S206	D149-N204 PolarHBondContact OD1-N 3.41Å; D149-N204 VanDerWaalsContact OD1-N 3.08Å; D149-N204 WeakPolarHBondContact OD2-CA 3.48Å; D149-N204 PolarHBondContact OD2-N 2.98Å; L151-N204 HydrophobicContact CD1-CB 3.87Å; N204-S206 PolarHBondContact O-N 2.89Å
205	G	94.9	Very high	97.3	Very high	31 Å²	31	21.7 Å²	21.7	32%	0.32	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	7.7	178.6	0	0	0	0	0	115.4	D149 Y203 F222	D149-G205 PolarHBondContact OD2-N 3.36Å; Y203-G205 PolarHBondContact O-N 3.27Å; G205-F222 WeakPolarHBondContact O-CD2 3.33Å; G205-F222 PolarHBondContact O-N 2.74Å; G205-F222 VanDerWaalsContact O-N 3.15Å
206	S	98.2	Very high	97.3	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.028	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.8	176.5	-60.6	0	0	0	0	111.6	V202 Y203 N204 R219 Y220	V202-S206 CarbonylContact C-O 3.52Å; V202-S206 WeakPolarHBondContact CA-O 3.21Å; Y203-S206 PolarHBondContact N-O 3.43Å; Y203-S206 PolarHBondContact O-N 3.28Å; Y203-S206 VanDerWaalsContact O-N 3.12Å; N204-S206 PolarHBondContact O-N 2.89Å; S206-R219 PolarHBondContact OG-NE 2.9Å; S206-Y220 CarbonylContact C-O 3.6Å; S206-Y220 WeakPolarHBondContact CA-O 3.25Å; S206-Y220 WeakPolarHBondContact CB-O 3.27Å
207	L	98.7	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.4	167	-178.2	67.9	0	0	0	110.1	M162 V171 L191 H200 V202 Y209 R219 Y220 F222	M162-L207 HydrophobicContact SD-CD1 3.9Å; M162-L207 HydrophobicContact SD-CD2 4.43Å; V171-L207 HydrophobicContact CG2-CD2 3.86Å; L191-L207 HydrophobicContact CD1-CD2 3.73Å; L191-L207 HydrophobicContact CD2-CD2 4.08Å; H200-L207 HydrophobicContact CB-CD1 4.04Å; V202-L207 HydrophobicContact CG2-CD1 3.85Å; L207-Y209 HydrophobicContact CD2-CD1 3.94Å; L207-Y209 HydrophobicContact CD2-CE1 4.42Å; L207-Y209 HydrophobicContact CG-CD1 4Å; L207-R219 CarbonylContact O-C 3.53Å; L207-R219 WeakPolarHBondContact O-CA 3.25Å; L207-Y220 PolarHBondContact N-O 3.18Å; L207-Y220 PolarHBondContact O-N 2.81Å; L207-F222 HydrophobicContact CB-CE1 4.36Å; L207-F222 HydrophobicContact CB-CE2 3.84Å; L207-F222 HydrophobicContact CB-CZ 3.6Å; L207-F222 HydrophobicContact CD1-CZ 4.46Å; L207-F222 HydrophobicContact CD2-CZ 4.38Å; L207-F222 HydrophobicContact CG-CZ 4.37Å
208	Y	98.8	Very high	97.4	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.9	171.8	-60.4	-100.9	0	0	0	108.5	H200 V201 Y203 V218 R219 L261 P281 L284	H200-Y208 WeakPolarHBondContact CA-O 3.47Å; V201-Y208 PolarHBondContact N-O 3.34Å; V201-Y208 PolarHBondContact O-N 3.43Å; Y203-Y208 HydrophobicContact CD1-CE2 4.48Å; Y208-V218 VanDerWaalsContact CA-O 3.32Å; Y208-V218 WeakPolarHBondContact CA-O 3.44Å; Y208-R219 HydrophobicContact CD1-CB 4.11Å; Y208-R219 HydrophobicContact CD1-CG 4.28Å; Y208-R219 HydrophobicContact CE1-CB 3.88Å; Y208-R219 HydrophobicContact CE1-CG 3.69Å; Y208-R219 HydrophobicContact CE2-CG 4.48Å; Y208-R219 PolarHBondContact OH-NE 2.72Å; Y208-L261 HydrophobicContact CD1-CD2 3.57Å; Y208-L261 HydrophobicContact CE1-CD2 3.6Å; Y208-L261 HydrophobicContact CG-CD1 4.48Å; Y208-L261 HydrophobicContact CG-CD2 4.12Å; Y208-P281 VanDerWaalsContact CE1-O 3.28Å; Y208-P281 WeakPolarHBondContact CE1-O 3.29Å; Y208-P281 PolarHBondContact OH-O 3.42Å; Y208-L284 HydrophobicContact CD1-CD2 3.65Å; Y208-L284 HydrophobicContact CE1-CD2 3.61Å
209	Y	98.6	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.6	-177.4	68.2	-81	0	0	0	112.3	L191 F193 W195 H200 L207 V218	L191-Y209 HydrophobicContact CD1-CD1 4.42Å; L191-Y209 HydrophobicContact CD1-CE1 4.01Å; L191-Y209 HydrophobicContact CD1-CE2 4.33Å; F193-Y209 HydrophobicContact CB-CE2 4.37Å; F193-Y209 WeakPolarHBondContact O-CE2 3.45Å; F193-Y209 PolarHBondContact O-OH 2.99Å; W195-Y209 HydrophobicContact CB-CD2 3.68Å; W195-Y209 HydrophobicContact CB-CE2 4.34Å; W195-Y209 HydrophobicContact CB-CG 4.47Å; H200-Y209 VanDerWaalsContact ND1-CB 3.28Å; H200-Y209 WeakPolarHBondContact ND1-CB 3.36Å; L207-Y209 HydrophobicContact CD2-CD1 3.94Å; L207-Y209 HydrophobicContact CD2-CE1 4.42Å; L207-Y209 HydrophobicContact CG-CD1 4Å; Y209-V218 HydrophobicContact CD1-CB 4Å; Y209-V218 HydrophobicContact CD1-CG1 4.37Å; Y209-V218 HydrophobicContact CE1-CB 3.61Å; Y209-V218 HydrophobicContact CE1-CG1 3.56Å; Y209-V218 HydrophobicContact CE1-CG2 4.49Å; Y209-V218 HydrophobicContact CE2-CB 4.2Å; Y209-V218 HydrophobicContact CE2-CG2 4.26Å; Y209-V218 HydrophobicContact CG-CB 4.46Å; Y209-V218 PolarHBondContact N-O 3.4Å; Y209-V218 VanDerWaalsContact N-O 3.1Å; Y209-V218 PolarHBondContact O-N 3.02Å
210	N	98.6	Very high	97.7	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	124.3	172.3	177.2	-138.3	0	0	0	110.8	W195 A196 M212 S214 I216 I252	W195-N210 CarbonylContact C-O 3.55Å; W195-N210 VanDerWaalsContact CA-O 3.25Å; W195-N210 WeakPolarHBondContact CA-O 3.32Å; A196-N210 PolarHBondContact N-O 2.99Å; N210-M212 PolarHBondContact O-N 3.31Å; N210-S214 PolarHBondContact ND2-O 2.86Å; N210-S214 PolarHBondContact OD1-O 3.35Å; N210-I216 PolarHBondContact ND2-O 2.93Å; N210-I252 HydrophobicContact CB-CB 4.34Å
211	K	98.2	Very high	97.8	Very high	54 Å²	54	26 Å²	26	24%	0.235	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-67.4	130.1	174.8	174.6	176.3	-176.4	176.4	0	110.5	F193 Q213 S214 I216 V218	F193-K211 HydrophobicContact CB-CD 4.41Å; F193-K211 HydrophobicContact CB-CG 4.13Å; F193-K211 HydrophobicContact CD1-CD 4.4Å; F193-K211 HydrophobicContact CD2-CD 4.41Å; F193-K211 HydrophobicContact CG-CD 4.15Å; F193-K211 HydrophobicContact CG-CG 4.41Å; K211-Q213 PolarHBondContact O-N 3.16Å; K211-S214 WeakPolarHBondContact CB-OG 3.39Å; K211-S214 PolarHBondContact O-N 3.35Å; K211-S214 PolarHBondContact O-OG 2.88Å; K211-I216 HydrophobicContact CB-CB 4.31Å; K211-I216 HydrophobicContact CD-CB 4.48Å; K211-I216 PolarHBondContact N-O 3.34Å; K211-V218 HydrophobicContact CB-CG2 3.81Å
212	M	97.4	Very high	97.8	Very high	33 Å²	33	26.2 Å²	26.2	16%	0.163	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	137.4	-178.4	-172.3	65.2	-164.6	0	0	112.5	T166 K194 A196 N210 S214 F249	T166-M212 WeakPolarHBondContact OG1-CE 2.86Å; T166-M212 PolarHBondContact OG1-SD 2.82Å; K194-M212 HydrophobicContact CB-CB 3.97Å; K194-M212 WeakPolarHBondContact O-CB 3.29Å; K194-M212 PolarHBondContact O-N 3.47Å; A196-M212 HydrophobicContact CB-SD 3.87Å; N210-M212 PolarHBondContact O-N 3.31Å; M212-S214 PolarHBondContact O-N 2.89Å; M212-F249 HydrophobicContact CE-CD2 3.81Å; M212-F249 HydrophobicContact CE-CE1 4.38Å; M212-F249 HydrophobicContact CE-CE2 3.62Å; M212-F249 HydrophobicContact CE-CG 4.29Å; M212-F249 HydrophobicContact CE-CZ 3.92Å; M212-F249 HydrophobicContact SD-CD2 4.29Å
213	Q	96.9	Very high	97.6	Very high	128 Å²	128	34.9 Å²	34.9	60%	0.598	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	31.4	179.6	-70.4	178	-41.7	0	0	114.2	K211 F238 H239	K211-Q213 PolarHBondContact O-N 3.16Å; Q213-F238 WeakPolarHBondContact O-CE2 3.32Å; Q213-H239 VanDerWaalsContact CG-CE1 3.48Å; Q213-H239 WeakPolarHBondContact CG-CE1 3.43Å
214	S	98.1	Very high	97.6	Very high	16 Å²	16	36.9 Å²	36.9	11%	0.112	19%	0.193	C	C	.	.	S	Bend	trans	-151.1	166.2	177.2	73.6	0	0	0	0	111.9	N210 K211 M212 I216 F238	N210-S214 PolarHBondContact ND2-O 2.86Å; N210-S214 PolarHBondContact OD1-O 3.35Å; K211-S214 WeakPolarHBondContact CB-OG 3.39Å; K211-S214 PolarHBondContact O-N 3.35Å; K211-S214 PolarHBondContact O-OG 2.88Å; M212-S214 PolarHBondContact O-N 2.89Å; S214-I216 VanDerWaalsContact C-N 3.28Å; S214-I216 WeakPolarHBondContact OG-CB 3.47Å; S214-I216 PolarHBondContact OG-N 3.26Å; S214-F238 VanDerWaalsContact C-CG 3.5Å; S214-F238 WeakPolarHBondContact O-CB 3.44Å
215	N	98.3	Very high	97.7	Very high	32 Å²	32	33.6 Å²	33.6	17%	0.171	18%	0.181	C	C	.	.	S	Bend	trans	-92.4	24	165.9	62.1	-20.3	0	0	0	112.5	L233 A236 F238 I252	N215-L233 PolarHBondContact ND2-O 3.29Å; N215-L233 PolarHBondContact O-N 2.84Å; N215-A236 HydrophobicContact CB-CB 4.18Å; N215-F238 HydrophobicContact CB-CB 4.41Å; N215-F238 HydrophobicContact CB-CD1 3.86Å; N215-F238 HydrophobicContact CB-CG 4.38Å; N215-I252 HydrophobicContact CB-CD1 4.05Å
216	I	98.8	Very high	97.8	Very high	45 Å²	45	37.4 Å²	37.4	23%	0.231	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.5	-177.4	-62.7	171.2	0	0	0	109.6	N210 K211 S214 V218 Q230 R231 A232	N210-I216 PolarHBondContact ND2-O 2.93Å; K211-I216 HydrophobicContact CB-CB 4.31Å; K211-I216 HydrophobicContact CD-CB 4.48Å; K211-I216 PolarHBondContact N-O 3.34Å; S214-I216 VanDerWaalsContact C-N 3.28Å; S214-I216 WeakPolarHBondContact OG-CB 3.47Å; S214-I216 PolarHBondContact OG-N 3.26Å; I216-V218 HydrophobicContact CG2-CG2 4.4Å; I216-Q230 HydrophobicContact CG2-CB 3.98Å; I216-R231 WeakPolarHBondContact CA-O 3.5Å; I216-A232 HydrophobicContact CG1-CB 4.22Å
217	I	98.7	Very high	97.8	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135	168.1	-59.5	167.7	0	0	0	107.9	Q230 R231 L233 L254 A263 L279 L284	I217-Q230 VanDerWaalsContact O-CA 3.28Å; I217-Q230 WeakPolarHBondContact O-CA 3.28Å; I217-R231 PolarHBondContact N-O 2.81Å; I217-R231 PolarHBondContact O-N 3.45Å; I217-L233 HydrophobicContact CD1-CB 4.46Å; I217-L233 HydrophobicContact CD1-CD1 4.17Å; I217-L233 HydrophobicContact CD1-CD2 4.38Å; I217-L254 HydrophobicContact CD1-CD2 3.72Å; I217-L254 HydrophobicContact CG1-CD1 4.5Å; I217-L254 HydrophobicContact CG1-CD2 4.11Å; I217-L254 HydrophobicContact CG2-CD1 3.84Å; I217-L254 HydrophobicContact CG2-CD2 4.38Å; I217-A263 HydrophobicContact CD1-CB 4.35Å; I217-L279 HydrophobicContact CD1-CD1 3.64Å; I217-L284 HydrophobicContact CB-CD1 4.23Å; I217-L284 HydrophobicContact CG2-CD1 3.96Å; I217-L284 HydrophobicContact CG2-CD2 4.1Å; I217-L284 WeakPolarHBondContact O-CD1 3.09Å
218	V	98.7	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	178.8	-176.3	0	0	0	0	108.9	F193 Y208 Y209 K211 I216 V227 Q230	F193-V218 HydrophobicContact CD2-CG1 4.41Å; F193-V218 HydrophobicContact CD2-CG2 4.27Å; Y208-V218 VanDerWaalsContact CA-O 3.32Å; Y208-V218 WeakPolarHBondContact CA-O 3.44Å; Y209-V218 HydrophobicContact CD1-CB 4Å; Y209-V218 HydrophobicContact CD1-CG1 4.37Å; Y209-V218 HydrophobicContact CE1-CB 3.61Å; Y209-V218 HydrophobicContact CE1-CG1 3.56Å; Y209-V218 HydrophobicContact CE1-CG2 4.49Å; Y209-V218 HydrophobicContact CE2-CB 4.2Å; Y209-V218 HydrophobicContact CE2-CG2 4.26Å; Y209-V218 HydrophobicContact CG-CB 4.46Å; Y209-V218 PolarHBondContact N-O 3.4Å; Y209-V218 VanDerWaalsContact N-O 3.1Å; Y209-V218 PolarHBondContact O-N 3.02Å; K211-V218 HydrophobicContact CB-CG2 3.81Å; I216-V218 HydrophobicContact CG2-CG2 4.4Å; V218-V227 HydrophobicContact CG1-CB 4.39Å; V218-V227 HydrophobicContact CG1-CG1 3.75Å; V218-V227 HydrophobicContact CG1-CG2 3.74Å; V218-Q230 HydrophobicContact CB-CG 4.41Å; V218-Q230 HydrophobicContact CG1-CG 4.12Å; V218-Q230 HydrophobicContact CG2-CG 4.09Å
219	R	98.6	Very high	97.7	Very high	30 Å²	30	44.6 Å²	44.6	11%	0.113	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.6	166.5	179.7	-171.1	177.9	-174.4	14.5	109.1	S206 L207 Y208 V227 I228 T229 D282 L284	S206-R219 PolarHBondContact OG-NE 2.9Å; L207-R219 CarbonylContact O-C 3.53Å; L207-R219 WeakPolarHBondContact O-CA 3.25Å; Y208-R219 HydrophobicContact CD1-CB 4.11Å; Y208-R219 HydrophobicContact CD1-CG 4.28Å; Y208-R219 HydrophobicContact CE1-CB 3.88Å; Y208-R219 HydrophobicContact CE1-CG 3.69Å; Y208-R219 HydrophobicContact CE2-CG 4.48Å; Y208-R219 PolarHBondContact OH-NE 2.72Å; R219-V227 WeakPolarHBondContact O-CA 3.28Å; R219-I228 HydrophobicContact CG-CB 4.4Å; R219-I228 PolarHBondContact O-N 2.88Å; R219-T229 PolarHBondContact N-O 2.84Å; R219-D282 IonicContact CZ-OD1 2.92Å; R219-D282 VanDerWaalsContact CZ-OD1 3.26Å; R219-D282 VanDerWaalsContact NH1-CA 3.29Å; R219-D282 PolarHBondContact NH1-O 2.74Å; R219-D282 IonicContact NH1-OD1 2.83Å; R219-D282 PolarHBondContact NH1-OD1 2.81Å; R219-D282 IonicContact NH2-OD1 2.83Å; R219-D282 PolarHBondContact NH2-OD1 2.88Å; R219-L284 HydrophobicContact CB-CD1 4.37Å
220	Y	98.6	Very high	97.7	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.6	176.8	176.6	-91.3	0	0	0	109.9	Y189 L191 S206 L207 F222 G225 V227	Y189-Y220 HydrophobicContact CD1-CE1 4.22Å; L191-Y220 HydrophobicContact CD2-CD1 3.63Å; L191-Y220 HydrophobicContact CD2-CD2 3.93Å; L191-Y220 HydrophobicContact CD2-CE1 3.78Å; L191-Y220 HydrophobicContact CD2-CE2 4.07Å; L191-Y220 HydrophobicContact CD2-CG 3.7Å; S206-Y220 CarbonylContact C-O 3.6Å; S206-Y220 WeakPolarHBondContact CA-O 3.25Å; S206-Y220 WeakPolarHBondContact CB-O 3.27Å; L207-Y220 PolarHBondContact N-O 3.18Å; L207-Y220 PolarHBondContact O-N 2.81Å; Y220-F222 HydrophobicContact CD1-CD1 4.18Å; Y220-F222 HydrophobicContact CD1-CE1 4.31Å; Y220-F222 AromaticContact CE1-CD1 3.95Å; Y220-F222 HydrophobicContact CE1-CD1 3.95Å; Y220-F222 HydrophobicContact CE1-CE1 4.3Å; Y220-G225 WeakPolarHBondContact CE2-O 3.39Å; Y220-G225 VanDerWaalsContact CZ-C 3.44Å; Y220-G225 VanDerWaalsContact OH-C 3.31Å; Y220-G225 WeakPolarHBondContact OH-CA 3.33Å; Y220-G225 PolarHBondContact OH-O 3.49Å; Y220-G225 VanDerWaalsContact OH-O 3.08Å; Y220-V227 HydrophobicContact CD2-CG2 4.14Å
221	S	97.9	Very high	97.7	Very high	12 Å²	12	53.1 Å²	53.1	8%	0.084	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.7	176.5	168.8	0	0	0	0	110.3	E223 T224 G225 L226	S221-E223 VanDerWaalsContact C-N 3.28Å; S221-E223 PolarHBondContact OG-N 2.85Å; S221-T224 WeakPolarHBondContact CB-OG1 3.28Å; S221-T224 PolarHBondContact OG-N 2.85Å; S221-T224 PolarHBondContact OG-OG1 2.89Å; S221-G225 VanDerWaalsContact O-CA 3.28Å; S221-G225 WeakPolarHBondContact O-CA 3.25Å; S221-G225 PolarHBondContact O-N 3.02Å; S221-L226 PolarHBondContact N-O 3.3Å
222	F	96.7	Very high	97.7	Very high	17 Å²	17	52.8 Å²	52.8	8%	0.075	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.8	174.4	-68.8	-63.2	0	0	0	112.9	W160 V171 Y189 V202 G205 L207 Y220	W160-F222 AromaticContact CD1-CE1 3.74Å; W160-F222 AromaticContact CD1-CE2 3.62Å; W160-F222 AromaticContact CD1-CZ 3.29Å; W160-F222 HydrophobicContact CD2-CE2 4.43Å; W160-F222 AromaticContact CE2-CE2 3.88Å; W160-F222 HydrophobicContact CG-CE2 4.27Å; W160-F222 HydrophobicContact CG-CZ 4.1Å; W160-F222 HydrophobicContact CZ2-CD2 4.38Å; W160-F222 AromaticContact NE1-CD2 3.59Å; W160-F222 AromaticContact NE1-CE1 3.83Å; W160-F222 AromaticContact NE1-CE2 3.34Å; W160-F222 VanDerWaalsContact NE1-CE2 3.34Å; W160-F222 AromaticContact NE1-CG 3.93Å; W160-F222 AromaticContact NE1-CZ 3.45Å; V171-F222 HydrophobicContact CG1-CE1 4.08Å; V171-F222 HydrophobicContact CG1-CZ 4.21Å; Y189-F222 AromaticContact CD1-CD1 3.86Å; Y189-F222 HydrophobicContact CD1-CD1 3.86Å; Y189-F222 AromaticContact CD2-CD1 3.7Å; Y189-F222 HydrophobicContact CD2-CD1 3.7Å; Y189-F222 AromaticContact CD2-CE1 3.82Å; Y189-F222 HydrophobicContact CD2-CE1 3.82Å; Y189-F222 HydrophobicContact CE1-CB 4.15Å; Y189-F222 AromaticContact CE1-CD1 3.82Å; Y189-F222 HydrophobicContact CE1-CD1 3.82Å; Y189-F222 HydrophobicContact CE1-CG 4.47Å; Y189-F222 WeakPolarHBondContact CE1-O 3.39Å; Y189-F222 AromaticContact CE2-CD1 3.65Å; Y189-F222 HydrophobicContact CE2-CD1 3.65Å; Y189-F222 HydrophobicContact CE2-CE1 4.1Å; Y189-F222 HydrophobicContact CE2-CG 4.46Å; Y189-F222 AromaticContact CG-CD1 3.8Å; Y189-F222 HydrophobicContact CG-CD1 3.8Å; Y189-F222 HydrophobicContact CG-CE1 4.07Å; Y189-F222 AromaticContact CZ-CD1 3.71Å; V202-F222 HydrophobicContact CB-CE2 4.47Å; V202-F222 HydrophobicContact CG1-CD2 4.43Å; V202-F222 HydrophobicContact CG1-CE2 3.85Å; V202-F222 HydrophobicContact CG2-CE2 3.77Å; V202-F222 HydrophobicContact CG2-CZ 4.14Å; G205-F222 WeakPolarHBondContact O-CD2 3.33Å; G205-F222 PolarHBondContact O-N 2.74Å; G205-F222 VanDerWaalsContact O-N 3.15Å; L207-F222 HydrophobicContact CB-CE1 4.36Å; L207-F222 HydrophobicContact CB-CE2 3.84Å; L207-F222 HydrophobicContact CB-CZ 3.6Å; L207-F222 HydrophobicContact CD1-CZ 4.46Å; L207-F222 HydrophobicContact CD2-CZ 4.38Å; L207-F222 HydrophobicContact CG-CZ 4.37Å; Y220-F222 HydrophobicContact CD1-CD1 4.18Å; Y220-F222 HydrophobicContact CD1-CE1 4.31Å; Y220-F222 AromaticContact CE1-CD1 3.95Å; Y220-F222 HydrophobicContact CE1-CD1 3.95Å; Y220-F222 HydrophobicContact CE1-CE1 4.3Å
223	E	94.3	Very high	97.7	Very high	184 Å²	184	51.3 Å²	51.3	86%	0.86	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-49.7	178.6	-179	179.8	-167.9	0	0	111.3	S221	S221-E223 VanDerWaalsContact C-N 3.28Å; S221-E223 PolarHBondContact OG-N 2.85Å
224	T	96.1	Very high	97.6	Very high	76 Å²	76	52.6 Å²	52.6	47%	0.466	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.5	-178.4	65.3	0	0	0	0	112.7	S221 L226	S221-T224 WeakPolarHBondContact CB-OG1 3.28Å; S221-T224 PolarHBondContact OG-N 2.85Å; S221-T224 PolarHBondContact OG-OG1 2.89Å; T224-L226 PolarHBondContact O-N 2.81Å; T224-L226 PolarHBondContact OG1-N 2.84Å
225	G	96.3	Very high	97.5	Very high	27 Å²	27	55.1 Å²	55.1	28%	0.278	29%	0.293	S	S	.	.			trans	70.3	19.2	-174.7	0	0	0	0	0	113.6	Y220 S221	Y220-G225 WeakPolarHBondContact CE2-O 3.39Å; Y220-G225 VanDerWaalsContact CZ-C 3.44Å; Y220-G225 VanDerWaalsContact OH-C 3.31Å; Y220-G225 WeakPolarHBondContact OH-CA 3.33Å; Y220-G225 PolarHBondContact OH-O 3.49Å; Y220-G225 VanDerWaalsContact OH-O 3.08Å; S221-G225 VanDerWaalsContact O-CA 3.28Å; S221-G225 WeakPolarHBondContact O-CA 3.25Å; S221-G225 PolarHBondContact O-N 3.02Å
226	L	97.3	Very high	97.5	Very high	110 Å²	110	53.9 Å²	53.9	58%	0.576	29%	0.287	S	S	*	.	S	Bend	trans	-123.2	156	-173.6	-62.5	175.3	0	0	0	112.7	S221 T224 I228	S221-L226 PolarHBondContact N-O 3.3Å; T224-L226 PolarHBondContact O-N 2.81Å; T224-L226 PolarHBondContact OG1-N 2.84Å; L226-I228 PolarHBondContact O-N 2.88Å
227	V	98.4	Very high	97.5	Very high	40 Å²	40	52.1 Å²	52.1	24%	0.242	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.3	168	172.3	0	0	0	0	108.8	P192 F193 V218 R219 Y220 Q230	P192-V227 HydrophobicContact CB-CG2 4.42Å; P192-V227 HydrophobicContact CG-CG2 3.9Å; F193-V227 HydrophobicContact CD2-CG2 4.44Å; F193-V227 HydrophobicContact CE2-CG2 4.21Å; V218-V227 HydrophobicContact CG1-CB 4.39Å; V218-V227 HydrophobicContact CG1-CG1 3.75Å; V218-V227 HydrophobicContact CG1-CG2 3.74Å; R219-V227 WeakPolarHBondContact O-CA 3.28Å; Y220-V227 HydrophobicContact CD2-CG2 4.14Å; V227-Q230 HydrophobicContact CG1-CG 3.61Å
228	I	98.1	Very high	97.5	Very high	80 Å²	80	55.6 Å²	55.6	41%	0.41	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-41.3	-178.5	-56.8	-56.1	0	0	0	110.7	R219 L226	R219-I228 HydrophobicContact CG-CB 4.4Å; R219-I228 PolarHBondContact O-N 2.88Å; L226-I228 PolarHBondContact O-N 2.88Å
229	T	98	Very high	97.4	Very high	37 Å²	37	59.2 Å²	59.2	23%	0.227	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	147.2	-176.3	-58.8	0	0	0	0	110.5	R219 D282 L284	R219-T229 PolarHBondContact N-O 2.84Å; T229-D282 PolarHBondContact OG1-O 3.29Å; T229-L284 HydrophobicContact CG2-CD1 4.03Å; T229-L284 HydrophobicContact CG2-CG 4.11Å
230	Q	98.3	Very high	97.4	Very high	82 Å²	82	60.6 Å²	60.6	38%	0.383	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.6	171.3	-65.7	178.3	74.4	0	0	108.6	I216 I217 V218 V227	I216-Q230 HydrophobicContact CG2-CB 3.98Å; I217-Q230 VanDerWaalsContact O-CA 3.28Å; I217-Q230 WeakPolarHBondContact O-CA 3.28Å; V218-Q230 HydrophobicContact CB-CG 4.41Å; V218-Q230 HydrophobicContact CG1-CG 4.12Å; V218-Q230 HydrophobicContact CG2-CG 4.09Å; V227-Q230 HydrophobicContact CG1-CG 3.61Å
231	R	98.5	Very high	97.4	Very high	99 Å²	99	63.3 Å²	63.3	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	138.2	175.6	-171.1	174.9	-75.9	-92.1	-6	111.1	I216 I217 T283 L284	I216-R231 WeakPolarHBondContact CA-O 3.5Å; I217-R231 PolarHBondContact N-O 2.81Å; I217-R231 PolarHBondContact O-N 3.45Å; R231-T283 PolarHBondContact NE-O 3.01Å; R231-L284 HydrophobicContact CB-CB 3.73Å; R231-L284 HydrophobicContact CB-CD1 4.2Å; R231-L284 VanDerWaalsContact CD-O 3.24Å; R231-L284 WeakPolarHBondContact CD-O 3.4Å
232	A	98.3	Very high	97.4	Very high	47 Å²	47	64.3 Å²	64.3	39%	0.388	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.2	171.5	0	0	0	0	0	110.2	I216 E234	I216-A232 HydrophobicContact CG1-CB 4.22Å; A232-E234 PolarHBondContact O-N 2.74Å
233	L	97.5	Very high	97.5	Very high	3 Å²	3	64 Å²	64	2%	0.016	34%	0.341	C	S	.	.			trans	-85.9	94.4	167.4	-158.2	68.5	0	0	0	107.3	N215 I217 S235 A236 I252 A263 Y265 L279 I286	N215-L233 PolarHBondContact ND2-O 3.29Å; N215-L233 PolarHBondContact O-N 2.84Å; I217-L233 HydrophobicContact CD1-CB 4.46Å; I217-L233 HydrophobicContact CD1-CD1 4.17Å; I217-L233 HydrophobicContact CD1-CD2 4.38Å; L233-S235 PolarHBondContact O-N 2.8Å; L233-A236 HydrophobicContact CB-CB 3.93Å; L233-A236 HydrophobicContact CD2-CB 3.94Å; L233-A236 HydrophobicContact CG-CB 4.06Å; L233-A236 VanDerWaalsContact O-CB 3.23Å; L233-A236 WeakPolarHBondContact O-CB 3.37Å; L233-A236 PolarHBondContact O-N 3.23Å; L233-A236 VanDerWaalsContact O-N 3.11Å; L233-I252 HydrophobicContact CD2-CD1 4.42Å; L233-I252 HydrophobicContact CD2-CG2 4.2Å; L233-A263 HydrophobicContact CD1-CB 4.42Å; L233-A263 HydrophobicContact CD2-CB 4Å; L233-Y265 HydrophobicContact CD1-CE1 4.18Å; L233-Y265 HydrophobicContact CD2-CD1 3.3Å; L233-Y265 HydrophobicContact CD2-CD2 3.89Å; L233-Y265 HydrophobicContact CD2-CE1 3.48Å; L233-Y265 VanDerWaalsContact CD2-CE1 3.48Å; L233-Y265 HydrophobicContact CD2-CE2 4.01Å; L233-Y265 HydrophobicContact CD2-CG 3.5Å; L233-Y265 HydrophobicContact CG-CD1 4.23Å; L233-Y265 HydrophobicContact CG-CD2 4.43Å; L233-Y265 HydrophobicContact CG-CE1 3.92Å; L233-Y265 HydrophobicContact CG-CE2 4.1Å; L233-Y265 HydrophobicContact CG-CG 4.46Å; L233-L279 HydrophobicContact CD1-CD2 4.35Å; L233-I286 HydrophobicContact CD1-CD1 3.86Å; L233-I286 HydrophobicContact CD1-CG1 4.07Å
234	E	94.1	Very high	97.7	Very high	154 Å²	154	55.3 Å²	55.3	72%	0.72	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	137.4	-171.3	-65.3	-174.5	-179.2	0	0	111.7	A232 A236	A232-E234 PolarHBondContact O-N 2.74Å; E234-A236 PolarHBondContact O-N 3.48Å
235	S	96.6	Very high	97.8	Very high	70 Å²	70	54.2 Å²	54.2	49%	0.49	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-1.7	-177.1	-53.1	0	0	0	0	117.1	L233 G237 T267 Q269	L233-S235 PolarHBondContact O-N 2.8Å; S235-G237 PolarHBondContact O-N 3.42Å; S235-T267 WeakPolarHBondContact O-CG2 3.37Å; S235-Q269 PolarHBondContact OG-NE2 2.67Å
236	A	98.6	Very high	97.9	Very high	5 Å²	5	54.2 Å²	54.2	4%	0.041	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-64.2	130.3	174	0	0	0	0	0	110.8	N215 L233 E234 I252 Y265	N215-A236 HydrophobicContact CB-CB 4.18Å; L233-A236 HydrophobicContact CB-CB 3.93Å; L233-A236 HydrophobicContact CD2-CB 3.94Å; L233-A236 HydrophobicContact CG-CB 4.06Å; L233-A236 VanDerWaalsContact O-CB 3.23Å; L233-A236 WeakPolarHBondContact O-CB 3.37Å; L233-A236 PolarHBondContact O-N 3.23Å; L233-A236 VanDerWaalsContact O-N 3.11Å; E234-A236 PolarHBondContact O-N 3.48Å; A236-I252 HydrophobicContact CB-CD1 4.11Å; A236-I252 HydrophobicContact CB-CG1 4.38Å; A236-Y265 HydrophobicContact CB-CD2 3.33Å; A236-Y265 HydrophobicContact CB-CE2 3.78Å; A236-Y265 HydrophobicContact CB-CG 4.07Å
237	G	98.3	Very high	97.9	Very high	9 Å²	9	49.8 Å²	49.8	9%	0.093	27%	0.266	C	S	.	.			trans	-65.6	150.4	167.5	0	0	0	0	0	110.7	S235 D251 A266	S235-G237 PolarHBondContact O-N 3.42Å; G237-D251 WeakPolarHBondContact O-CB 3.16Å; G237-A266 PolarHBondContact N-O 3.49Å
238	F	98.3	Very high	97.8	Very high	76 Å²	76	48.3 Å²	48.3	33%	0.333	26%	0.259	S	S	.	.			trans	-149.6	163.6	179.6	62.7	-85.1	0	0	0	109.6	Q213 S214 N215 V241	Q213-F238 WeakPolarHBondContact O-CE2 3.32Å; S214-F238 VanDerWaalsContact C-CG 3.5Å; S214-F238 WeakPolarHBondContact O-CB 3.44Å; N215-F238 HydrophobicContact CB-CB 4.41Å; N215-F238 HydrophobicContact CB-CD1 3.86Å; N215-F238 HydrophobicContact CB-CG 4.38Å; F238-V241 WeakPolarHBondContact O-CB 3.28Å; F238-V241 WeakPolarHBondContact O-CG2 3.43Å
239	H	97.3	Very high	97.8	Very high	76 Å²	76	45.9 Å²	45.9	35%	0.352	25%	0.245	S	C	.	.	S	Bend	trans	63.7	51.9	176	-156.8	56.4	0	0	0	113.8	Q213 V241 F249 D251	Q213-H239 VanDerWaalsContact CG-CE1 3.48Å; Q213-H239 WeakPolarHBondContact CG-CE1 3.43Å; H239-V241 VanDerWaalsContact C-N 3.3Å; H239-V241 PolarHBondContact O-N 3.02Å; H239-F249 AromaticContact CE1-CE1 3.51Å; H239-F249 AromaticContact CE1-CZ 4Å; H239-F249 AromaticContact ND1-CD1 3.58Å; H239-F249 AromaticContact ND1-CE1 3.41Å; H239-F249 WeakPolarHBondContact ND1-CE1 3.24Å; H239-D251 PolarHBondContact N-OD2 2.83Å
240	N	98.1	Very high	97.9	Very high	59 Å²	59	44.1 Å²	44.1	32%	0.316	24%	0.235	S	C	.	.	S	Bend	trans	64.2	25.4	-177.7	-71	-33	0	0	0	114.9	P243 G248 F249 D251 R297	N240-P243 HydrophobicContact CB-CG 4.28Å; N240-P243 WeakPolarHBondContact O-CD 3.44Å; N240-G248 PolarHBondContact OD1-N 3.27Å; N240-F249 HydrophobicContact CB-CD1 4.37Å; N240-F249 VanDerWaalsContact ND2-CD1 3.33Å; N240-F249 WeakPolarHBondContact ND2-CD1 3.3Å; N240-F249 VanDerWaalsContact ND2-CE1 3.26Å; N240-F249 WeakPolarHBondContact ND2-CE1 3.37Å; N240-F249 WeakPolarHBondContact OD1-CA 3.35Å; N240-F249 PolarHBondContact OD1-N 3.14Å; N240-D251 VanDerWaalsContact CA-OD1 3.3Å; N240-D251 WeakPolarHBondContact CA-OD1 3.44Å; N240-D251 VanDerWaalsContact N-CG 3.35Å; N240-D251 PolarHBondContact N-OD1 2.84Å; N240-D251 VanDerWaalsContact N-OD1 3.13Å; N240-D251 PolarHBondContact N-OD2 3.28Å; N240-R297 PolarHBondContact O-NH2 3.43Å
241	V	98.4	Very high	97.9	Very high	66 Å²	66	40.2 Å²	40.2	40%	0.4	22%	0.216	S	C	.	.	S	Bend	trans	-78.7	-34.4	170.4	174.4	0	0	0	0	111.6	F238 H239 D251 R297	F238-V241 WeakPolarHBondContact O-CB 3.28Å; F238-V241 WeakPolarHBondContact O-CG2 3.43Å; H239-V241 VanDerWaalsContact C-N 3.3Å; H239-V241 PolarHBondContact O-N 3.02Å; V241-D251 PolarHBondContact N-OD1 2.92Å; V241-R297 VanDerWaalsContact C-NH2 3.3Å; V241-R297 PolarHBondContact O-NE 2.86Å; V241-R297 PolarHBondContact O-NH2 3.45Å
242	Y	98.6	Very high	97.9	Very high	33 Å²	33	35.6 Å²	35.6	13%	0.129	20%	0.199	C	C	.	.	S	Bend	trans	-144	58	171.6	-59.2	-62.6	0	0	0	111.9	D251 A266 N268 G272 K296	Y242-D251 PolarHBondContact N-OD1 3.27Å; Y242-D251 WeakPolarHBondContact O-CA 3.16Å; Y242-A266 HydrophobicContact CD1-CB 4.35Å; Y242-A266 HydrophobicContact CD2-CB 3.82Å; Y242-A266 WeakPolarHBondContact CD2-O 3.34Å; Y242-A266 HydrophobicContact CG-CB 3.7Å; Y242-N268 WeakPolarHBondContact OH-CA 3.39Å; Y242-G272 VanDerWaalsContact CE1-CA 3.45Å; Y242-K296 WeakPolarHBondContact O-CD 3.38Å; Y242-K296 PolarHBondContact O-NZ 2.92Å
243	P	98.6	Very high	97.9	Very high	10 Å²	10	33.3 Å²	33.3	7%	0.065	18%	0.18	C	C	.	.			trans	-72.8	166.5	177.9	35.1	-35.4	0	0	0	110.3	N240 R297	N240-P243 HydrophobicContact CB-CG 4.28Å; N240-P243 WeakPolarHBondContact O-CD 3.44Å; P243-R297 WeakPolarHBondContact O-CA 3.26Å
244	Y	98.7	Very high	98	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.012	18%	0.18	C	C	.	.			trans	-62.4	170.2	160.6	-68	-50.5	0	0	0	111.4	W246 G247 S250 D253 K296 A299 G300 E301 S302	Y244-W246 PolarHBondContact O-N 2.97Å; Y244-G247 PolarHBondContact O-N 2.96Å; Y244-S250 PolarHBondContact N-OG 2.73Å; Y244-D253 HydrophobicContact CE2-CB 4.12Å; Y244-D253 WeakPolarHBondContact CE2-OD2 3.4Å; Y244-D253 WeakPolarHBondContact OH-CB 3.15Å; Y244-D253 PolarHBondContact OH-OD2 3.08Å; Y244-K296 HydrophobicContact CD1-CG 4.11Å; Y244-K296 HydrophobicContact CE1-CG 3.99Å; Y244-A299 WeakPolarHBondContact CB-O 3.19Å; Y244-A299 HydrophobicContact CD1-CB 3.7Å; Y244-A299 HydrophobicContact CE1-CB 3.91Å; Y244-G300 WeakPolarHBondContact CB-O 3.49Å; Y244-E301 WeakPolarHBondContact CD2-OE2 3.36Å; Y244-E301 VanDerWaalsContact CE2-OE2 3.29Å; Y244-E301 WeakPolarHBondContact CE2-OE2 3.34Å; Y244-S302 PolarHBondContact OH-OG 3.46Å
245	T	97.9	Very high	98.2	Very high	53 Å²	53	26 Å²	26	33%	0.325	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.1	-177	48.9	0	0	0	0	114.1	R297 N298 A299 G300 H315	T245-R297 WeakPolarHBondContact CG2-O 3.25Å; T245-N298 VanDerWaalsContact CG2-C 3.49Å; T245-A299 VanDerWaalsContact CG2-O 3.28Å; T245-A299 WeakPolarHBondContact CG2-O 3.26Å; T245-A299 PolarHBondContact N-O 2.72Å; T245-A299 PolarHBondContact OG1-O 2.62Å; T245-G300 WeakPolarHBondContact OG1-CA 3.22Å; T245-H315 WeakPolarHBondContact CB-ND1 3.43Å; T245-H315 PolarHBondContact O-CE1 2.75Å; T245-H315 PolarHBondContact OG1-ND1 3.47Å
246	W	97.4	Very high	98.2	Very high	27 Å²	27	22.9 Å²	22.9	10%	0.102	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.8	177	67.6	-94.3	0	0	0	114.1	F143 Y165 T198 Y244 G248 E301 H315 S347	F143-W246 HydrophobicContact CD1-CE3 4.11Å; F143-W246 AromaticContact CD1-CZ3 3.91Å; F143-W246 HydrophobicContact CD1-CZ3 3.91Å; F143-W246 HydrophobicContact CE1-CE3 4.14Å; F143-W246 HydrophobicContact CE1-CZ3 4.31Å; Y165-W246 HydrophobicContact CD1-CZ3 4.49Å; Y165-W246 HydrophobicContact CG-CZ3 4.3Å; T198-W246 HydrophobicContact CG2-CH2 4.04Å; T198-W246 WeakPolarHBondContact OG1-CH2 3.45Å; T198-W246 VanDerWaalsContact OG1-CZ2 3.23Å; T198-W246 WeakPolarHBondContact OG1-CZ2 3.34Å; Y244-W246 PolarHBondContact O-N 2.97Å; W246-G248 VanDerWaalsContact CZ3-CA 3.49Å; W246-E301 PolarHBondContact NE1-OE1 3.48Å; W246-H315 HydrophobicContact CB-CB 4.12Å; W246-H315 PolarHBondContact N-ND1 3.44Å; W246-S347 WeakPolarHBondContact CZ2-O 3.48Å
247	G	97.9	Very high	98.1	Very high	16 Å²	16	22.9 Å²	22.9	17%	0.165	12%	0.124	C	C	.	.			trans	79	-131.7	-179.5	0	0	0	0	0	113	Y244 F249 S250	Y244-G247 PolarHBondContact O-N 2.96Å; G247-F249 PolarHBondContact O-N 2.92Å; G247-S250 WeakPolarHBondContact O-CB 3.12Å; G247-S250 PolarHBondContact O-N 2.9Å; G247-S250 PolarHBondContact O-OG 3.2Å
248	G	97.3	Very high	97.8	Very high	9 Å²	9	23 Å²	23	9%	0.093	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	29.2	170.3	0	0	0	0	0	116.8	Y165 G197 N240 W246 S250	Y165-G248 VanDerWaalsContact CD2-CA 3.47Å; Y165-G248 WeakPolarHBondContact CD2-O 3.5Å; G197-G248 VanDerWaalsContact CA-O 3.27Å; G197-G248 WeakPolarHBondContact CA-O 3.21Å; G197-G248 PolarHBondContact N-O 2.83Å; N240-G248 PolarHBondContact OD1-N 3.27Å; W246-G248 VanDerWaalsContact CZ3-CA 3.49Å; G248-S250 PolarHBondContact O-N 2.91Å
249	F	98.3	Very high	97.5	Very high	30 Å²	30	22.8 Å²	22.8	13%	0.132	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	29.1	-179.3	-42.8	-62.2	0	0	0	113.5	Y165 T166 A196 G197 M212 H239 N240 G247 D251	Y165-F249 AromaticContact CD2-CD2 3.7Å; Y165-F249 HydrophobicContact CD2-CD2 3.7Å; Y165-F249 HydrophobicContact CD2-CE2 4.13Å; Y165-F249 AromaticContact CE2-CD2 3.67Å; Y165-F249 HydrophobicContact CE2-CD2 3.67Å; Y165-F249 AromaticContact CE2-CE2 3.63Å; Y165-F249 HydrophobicContact CE2-CE2 3.63Å; T166-F249 HydrophobicContact CG2-CE2 4.13Å; T166-F249 WeakPolarHBondContact OG1-CE2 3.31Å; A196-F249 HydrophobicContact CB-CB 3.81Å; G197-F249 PolarHBondContact N-O 3.31Å; M212-F249 HydrophobicContact CE-CD2 3.81Å; M212-F249 HydrophobicContact CE-CE1 4.38Å; M212-F249 HydrophobicContact CE-CE2 3.62Å; M212-F249 HydrophobicContact CE-CG 4.29Å; M212-F249 HydrophobicContact CE-CZ 3.92Å; M212-F249 HydrophobicContact SD-CD2 4.29Å; H239-F249 AromaticContact CE1-CE1 3.51Å; H239-F249 AromaticContact CE1-CZ 4Å; H239-F249 AromaticContact ND1-CD1 3.58Å; H239-F249 AromaticContact ND1-CE1 3.41Å; H239-F249 WeakPolarHBondContact ND1-CE1 3.24Å; N240-F249 HydrophobicContact CB-CD1 4.37Å; N240-F249 VanDerWaalsContact ND2-CD1 3.33Å; N240-F249 WeakPolarHBondContact ND2-CD1 3.3Å; N240-F249 VanDerWaalsContact ND2-CE1 3.26Å; N240-F249 WeakPolarHBondContact ND2-CE1 3.37Å; N240-F249 WeakPolarHBondContact OD1-CA 3.35Å; N240-F249 PolarHBondContact OD1-N 3.14Å; G247-F249 PolarHBondContact O-N 2.92Å; F249-D251 WeakPolarHBondContact CA-OD2 3.46Å; F249-D251 PolarHBondContact O-N 3.14Å
250	S	98.4	Very high	97.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.			trans	-77.8	27.2	178.9	56.9	0	0	0	0	113.2	N199 Y244 G247 G248 I252 K296	N199-S250 WeakPolarHBondContact ND2-CA 3.32Å; N199-S250 PolarHBondContact ND2-O 3.15Å; Y244-S250 PolarHBondContact N-OG 2.73Å; G247-S250 WeakPolarHBondContact O-CB 3.12Å; G247-S250 PolarHBondContact O-N 2.9Å; G247-S250 PolarHBondContact O-OG 3.2Å; G248-S250 PolarHBondContact O-N 2.91Å; S250-I252 PolarHBondContact O-N 3.38Å; S250-K296 PolarHBondContact O-NZ 3.34Å
251	D	98.7	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-64.2	-38.7	-171.6	-56.6	-99.9	0	0	0	113.2	G237 H239 N240 V241 Y242 F249 K296	G237-D251 WeakPolarHBondContact O-CB 3.16Å; H239-D251 PolarHBondContact N-OD2 2.83Å; N240-D251 VanDerWaalsContact CA-OD1 3.3Å; N240-D251 WeakPolarHBondContact CA-OD1 3.44Å; N240-D251 VanDerWaalsContact N-CG 3.35Å; N240-D251 PolarHBondContact N-OD1 2.84Å; N240-D251 VanDerWaalsContact N-OD1 3.13Å; N240-D251 PolarHBondContact N-OD2 3.28Å; V241-D251 PolarHBondContact N-OD1 2.92Å; Y242-D251 PolarHBondContact N-OD1 3.27Å; Y242-D251 WeakPolarHBondContact O-CA 3.16Å; F249-D251 WeakPolarHBondContact CA-OD2 3.46Å; F249-D251 PolarHBondContact O-N 3.14Å; D251-K296 WeakPolarHBondContact O-CE 3.46Å; D251-K296 PolarHBondContact O-NZ 2.83Å
252	I	98.8	Very high	97.4	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.078	C	C	.	.	S	Bend	trans	-115.2	128.5	178.8	-61.3	173.5	0	0	0	107.4	N199 N210 N215 L233 A236 S250 L254	N199-I252 PolarHBondContact ND2-O 3.14Å; N210-I252 HydrophobicContact CB-CB 4.34Å; N215-I252 HydrophobicContact CB-CD1 4.05Å; L233-I252 HydrophobicContact CD2-CD1 4.42Å; L233-I252 HydrophobicContact CD2-CG2 4.2Å; A236-I252 HydrophobicContact CB-CD1 4.11Å; A236-I252 HydrophobicContact CB-CG1 4.38Å; S250-I252 PolarHBondContact O-N 3.38Å; I252-L254 HydrophobicContact CG2-CD2 4.27Å
253	D	98.8	Very high	97.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.9	-176.3	-177.6	1.5	0	0	0	110.5	N199 Y244 M255 A263 V264	N199-D253 VanDerWaalsContact CB-CA 3.48Å; N199-D253 HydrophobicContact CB-CB 3.9Å; N199-D253 WeakPolarHBondContact CB-OD1 3.45Å; Y244-D253 HydrophobicContact CE2-CB 4.12Å; Y244-D253 WeakPolarHBondContact CE2-OD2 3.4Å; Y244-D253 WeakPolarHBondContact OH-CB 3.15Å; Y244-D253 PolarHBondContact OH-OD2 3.08Å; D253-M255 HydrophobicContact CB-CE 4.09Å; D253-M255 WeakPolarHBondContact OD1-CE 3.38Å; D253-M255 VanDerWaalsContact OD2-CE 3.23Å; D253-M255 WeakPolarHBondContact OD2-CE 3.21Å; D253-A263 CarbonylContact O-C 3.52Å; D253-A263 WeakPolarHBondContact O-CA 3.34Å; D253-V264 HydrophobicContact CB-CB 4.2Å; D253-V264 WeakPolarHBondContact CB-O 2.98Å; D253-V264 PolarHBondContact N-O 2.77Å; D253-V264 PolarHBondContact O-N 2.99Å
254	L	98.8	Very high	97.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.9	-176.6	-58.4	174	0	0	0	109.2	N199 V201 I217 I252 W262 A263 L279	N199-L254 PolarHBondContact O-N 2.79Å; V201-L254 HydrophobicContact CG1-CB 3.66Å; I217-L254 HydrophobicContact CD1-CD2 3.72Å; I217-L254 HydrophobicContact CG1-CD1 4.5Å; I217-L254 HydrophobicContact CG1-CD2 4.11Å; I217-L254 HydrophobicContact CG2-CD1 3.84Å; I217-L254 HydrophobicContact CG2-CD2 4.38Å; I252-L254 HydrophobicContact CG2-CD2 4.27Å; L254-W262 WeakPolarHBondContact CA-O 3.34Å; L254-A263 HydrophobicContact CD2-CB 3.83Å; L254-L279 HydrophobicContact CD2-CD1 4.48Å
255	M	98.1	Very high	97.4	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.1	-173.6	60.2	-166.2	66.6	0	0	111.2	D253 W262 V264 M304 L309	D253-M255 HydrophobicContact CB-CE 4.09Å; D253-M255 WeakPolarHBondContact OD1-CE 3.38Å; D253-M255 VanDerWaalsContact OD2-CE 3.23Å; D253-M255 WeakPolarHBondContact OD2-CE 3.21Å; M255-W262 HydrophobicContact CG-CB 3.85Å; M255-W262 PolarHBondContact N-O 3.26Å; M255-W262 VanDerWaalsContact N-O 3.09Å; M255-W262 PolarHBondContact O-N 3.19Å; M255-V264 HydrophobicContact CE-CB 3.66Å; M255-V264 HydrophobicContact CE-CG1 4.48Å; M255-V264 HydrophobicContact CE-CG2 3.35Å; M255-V264 HydrophobicContact SD-CG2 3.56Å; M255-V264 VanDerWaalsContact SD-CG2 3.56Å; M255-M304 HydrophobicContact CG-CB 4.1Å; M255-M304 HydrophobicContact CG-CG 3.86Å; M255-M304 HydrophobicContact SD-CB 3.77Å; M255-M304 HydrophobicContact SD-CG 3.2Å; M255-M304 WeakPolarHBondContact SD-CG 3.29Å; M255-M304 PolarHBondContact SD-N 2.81Å; M255-L309 HydrophobicContact SD-CD1 4.14Å
256	V	97.3	Very high	97.5	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.036	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.8	179.7	168	0	0	0	0	109.9	P150 V201 Y203 G260 L261	P150-V256 HydrophobicContact CG-CB 4.49Å; P150-V256 HydrophobicContact CG-CG1 3.75Å; V201-V256 HydrophobicContact CG1-CG2 4.36Å; V201-V256 HydrophobicContact CG2-CB 4Å; V201-V256 HydrophobicContact CG2-CG2 3.48Å; V201-V256 VanDerWaalsContact CG2-CG2 3.48Å; Y203-V256 HydrophobicContact CD2-CB 4.27Å; Y203-V256 HydrophobicContact CD2-CG1 3.56Å; Y203-V256 HydrophobicContact CD2-CG2 3.76Å; Y203-V256 HydrophobicContact CE2-CG1 3.53Å; Y203-V256 HydrophobicContact CE2-CG2 4.31Å; Y203-V256 HydrophobicContact CG-CG1 4.45Å; Y203-V256 HydrophobicContact CG-CG2 3.85Å; V256-G260 VanDerWaalsContact CA-O 3.3Å; V256-G260 WeakPolarHBondContact CA-O 3.43Å; V256-L261 HydrophobicContact CG2-CB 4.45Å; V256-L261 HydrophobicContact CG2-CD1 3.74Å
257	D	95.8	Very high	97.5	Very high	5 Å²	5	8.8 Å²	8.8	3%	0.027	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	-165.6	171	77.8	-9.2	0	0	0	110.5	L259 G260 W262 M304 C306 G307 Y351	D257-L259 PolarHBondContact O-N 2.95Å; D257-L259 VanDerWaalsContact O-N 3.15Å; D257-L259 WeakPolarHBondContact OD1-CA 3.11Å; D257-L259 WeakPolarHBondContact OD1-CB 3.21Å; D257-L259 PolarHBondContact OD1-N 2.83Å; D257-G260 PolarHBondContact N-O 2.97Å; D257-G260 VanDerWaalsContact N-O 3.14Å; D257-G260 PolarHBondContact O-N 3.11Å; D257-G260 PolarHBondContact OD1-N 2.83Å; D257-W262 VanDerWaalsContact CG-NE1 3.25Å; D257-W262 PolarHBondContact OD1-NE1 2.83Å; D257-M304 HydrophobicContact CB-CB 4.14Å; D257-C306 PolarHBondContact OD2-N 3.47Å; D257-G307 PolarHBondContact OD2-N 3.13Å; D257-Y351 HydrophobicContact CB-CD1 4.37Å
258	E	92.7	Very high	97.6	Very high	12 Å²	12	13.8 Å²	13.8	6%	0.056	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.9	178.8	-60.6	82.7	179.4	0	0	114.2	N120 C306 Y351 A353	N120-E258 HydrophobicContact CB-CB 4.36Å; N120-E258 HydrophobicContact CB-CG 3.91Å; E258-C306 VanDerWaalsContact CD-SG 3.54Å; E258-C306 PolarHBondContact OE2-N 3.12Å; E258-C306 PolarHBondContact OE2-SG 3.3Å; E258-C306 VanDerWaalsContact OE2-SG 3.37Å; E258-Y351 VanDerWaalsContact OE1-CE1 3.23Å; E258-Y351 WeakPolarHBondContact OE1-CE1 3.41Å; E258-Y351 PolarHBondContact OE1-OH 2.86Å; E258-A353 HydrophobicContact CG-CB 4.03Å
259	L	92.3	Very high	97.6	Very high	71 Å²	71	19.9 Å²	19.9	37%	0.372	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-12.9	-176.6	-57.5	-175.9	0	0	0	113.2	D257 W262	D257-L259 PolarHBondContact O-N 2.95Å; D257-L259 VanDerWaalsContact O-N 3.15Å; D257-L259 WeakPolarHBondContact OD1-CA 3.11Å; D257-L259 WeakPolarHBondContact OD1-CB 3.21Å; D257-L259 PolarHBondContact OD1-N 2.83Å; L259-W262 HydrophobicContact CB-CZ2 3.84Å; L259-W262 HydrophobicContact CD1-CZ2 4.12Å
260	G	94.1	Very high	97.6	Very high	10 Å²	10	19.7 Å²	19.7	10%	0.103	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.9	-146.5	170.8	0	0	0	0	0	113.7	V256 D257 W262	V256-G260 VanDerWaalsContact CA-O 3.3Å; V256-G260 WeakPolarHBondContact CA-O 3.43Å; D257-G260 PolarHBondContact N-O 2.97Å; D257-G260 VanDerWaalsContact N-O 3.14Å; D257-G260 PolarHBondContact O-N 3.11Å; D257-G260 PolarHBondContact OD1-N 2.83Å; G260-W262 PolarHBondContact O-NE1 2.96Å
261	L	98.3	Very high	97.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.3	-175.8	-178.4	66.6	0	0	0	111.4	V201 Y208 V256 L279 P281 L284	V201-L261 HydrophobicContact CG1-CD1 3.66Å; Y208-L261 HydrophobicContact CD1-CD2 3.57Å; Y208-L261 HydrophobicContact CE1-CD2 3.6Å; Y208-L261 HydrophobicContact CG-CD1 4.48Å; Y208-L261 HydrophobicContact CG-CD2 4.12Å; V256-L261 HydrophobicContact CG2-CB 4.45Å; V256-L261 HydrophobicContact CG2-CD1 3.74Å; L261-L279 HydrophobicContact CD2-CB 4.16Å; L261-L279 HydrophobicContact CD2-CD1 4.39Å; L261-L279 HydrophobicContact CG-CB 4.25Å; L261-L279 PolarHBondContact O-N 3.39Å; L261-P281 HydrophobicContact CB-CB 4.48Å; L261-P281 HydrophobicContact CD2-CB 4.41Å; L261-L284 HydrophobicContact CD2-CD2 4.38Å
262	W	98.8	Very high	97.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.8	-179.1	-55.8	89.1	0	0	0	111.3	L254 M255 D257 L259 G260 I276 S277 R278 W290 M304 T327	L254-W262 WeakPolarHBondContact CA-O 3.34Å; M255-W262 HydrophobicContact CG-CB 3.85Å; M255-W262 PolarHBondContact N-O 3.26Å; M255-W262 VanDerWaalsContact N-O 3.09Å; M255-W262 PolarHBondContact O-N 3.19Å; D257-W262 VanDerWaalsContact CG-NE1 3.25Å; D257-W262 PolarHBondContact OD1-NE1 2.83Å; L259-W262 HydrophobicContact CB-CZ2 3.84Å; L259-W262 HydrophobicContact CD1-CZ2 4.12Å; G260-W262 PolarHBondContact O-NE1 2.96Å; W262-I276 HydrophobicContact CE3-CG2 3.75Å; W262-I276 HydrophobicContact CZ3-CG2 4.14Å; W262-S277 CarbonylContact C-O 3.53Å; W262-S277 WeakPolarHBondContact CA-O 2.99Å; W262-R278 HydrophobicContact CD2-CB 4.31Å; W262-R278 HydrophobicContact CD2-CG 4.06Å; W262-R278 HydrophobicContact CE3-CB 3.66Å; W262-R278 HydrophobicContact CE3-CG 3.9Å; W262-R278 HydrophobicContact CH2-CB 4.06Å; W262-R278 HydrophobicContact CH2-CG 3.97Å; W262-R278 HydrophobicContact CZ2-CG 4.08Å; W262-R278 HydrophobicContact CZ3-CB 3.55Å; W262-R278 HydrophobicContact CZ3-CG 3.88Å; W262-W290 HydrophobicContact CE3-CZ3 4.4Å; W262-W290 HydrophobicContact CH2-CH2 4.2Å; W262-W290 HydrophobicContact CH2-CZ3 4.3Å; W262-W290 HydrophobicContact CZ3-CE3 4.26Å; W262-W290 AromaticContact CZ3-CH2 3.86Å; W262-W290 HydrophobicContact CZ3-CH2 3.86Å; W262-W290 AromaticContact CZ3-CZ3 3.51Å; W262-W290 HydrophobicContact CZ3-CZ3 3.51Å; W262-M304 HydrophobicContact CD2-CE 3.49Å; W262-M304 VanDerWaalsContact CD2-CE 3.49Å; W262-M304 HydrophobicContact CE3-CE 3.67Å; W262-M304 HydrophobicContact CG-CE 4.01Å; W262-M304 HydrophobicContact CG-CG 4.36Å; W262-M304 HydrophobicContact CH2-CE 3.88Å; W262-M304 HydrophobicContact CZ2-CE 3.74Å; W262-M304 HydrophobicContact CZ3-CE 3.84Å; W262-T327 HydrophobicContact CH2-CG2 4.35Å; W262-T327 HydrophobicContact CZ3-CG2 4.09Å
263	A	98.8	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.6	165.8	0	0	0	0	0	109.9	I217 L233 D253 L254 Y265 I276 S277 L279	I217-A263 HydrophobicContact CD1-CB 4.35Å; L233-A263 HydrophobicContact CD1-CB 4.42Å; L233-A263 HydrophobicContact CD2-CB 4Å; D253-A263 CarbonylContact O-C 3.52Å; D253-A263 WeakPolarHBondContact O-CA 3.34Å; L254-A263 HydrophobicContact CD2-CB 3.83Å; A263-Y265 HydrophobicContact CB-CD1 4.33Å; A263-I276 CarbonylContact O-C 3.57Å; A263-I276 WeakPolarHBondContact O-CA 3.15Å; A263-S277 PolarHBondContact N-O 3.42Å; A263-S277 PolarHBondContact O-N 2.94Å; A263-L279 HydrophobicContact CB-CD1 3.89Å; A263-L279 HydrophobicContact CB-CG 4.29Å
264	V	98.9	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.9	175.8	177.1	0	0	0	0	108.1	D253 M255 I274 V275 I276 L309	D253-V264 HydrophobicContact CB-CB 4.2Å; D253-V264 WeakPolarHBondContact CB-O 2.98Å; D253-V264 PolarHBondContact N-O 2.77Å; D253-V264 PolarHBondContact O-N 2.99Å; M255-V264 HydrophobicContact CE-CB 3.66Å; M255-V264 HydrophobicContact CE-CG1 4.48Å; M255-V264 HydrophobicContact CE-CG2 3.35Å; M255-V264 HydrophobicContact SD-CG2 3.56Å; M255-V264 VanDerWaalsContact SD-CG2 3.56Å; V264-I274 HydrophobicContact CG1-CG2 3.58Å; V264-V275 WeakPolarHBondContact CA-O 3.49Å; V264-I276 HydrophobicContact CG2-CG1 4.49Å; V264-L309 HydrophobicContact CG1-CD1 4.39Å; V264-L309 HydrophobicContact CG1-CD2 4.35Å; V264-L309 HydrophobicContact CG2-CD1 3.79Å
265	Y	98.8	Very high	97.6	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-172	-172.4	62.5	-76.6	0	0	0	109.6	L233 A236 A263 T267 I274 V275 S277	L233-Y265 HydrophobicContact CD1-CE1 4.18Å; L233-Y265 HydrophobicContact CD2-CD1 3.3Å; L233-Y265 HydrophobicContact CD2-CD2 3.89Å; L233-Y265 HydrophobicContact CD2-CE1 3.48Å; L233-Y265 VanDerWaalsContact CD2-CE1 3.48Å; L233-Y265 HydrophobicContact CD2-CE2 4.01Å; L233-Y265 HydrophobicContact CD2-CG 3.5Å; L233-Y265 HydrophobicContact CG-CD1 4.23Å; L233-Y265 HydrophobicContact CG-CD2 4.43Å; L233-Y265 HydrophobicContact CG-CE1 3.92Å; L233-Y265 HydrophobicContact CG-CE2 4.1Å; L233-Y265 HydrophobicContact CG-CG 4.46Å; A236-Y265 HydrophobicContact CB-CD2 3.33Å; A236-Y265 HydrophobicContact CB-CE2 3.78Å; A236-Y265 HydrophobicContact CB-CG 4.07Å; A263-Y265 HydrophobicContact CB-CD1 4.33Å; Y265-T267 HydrophobicContact CD2-CG2 3.85Å; Y265-T267 HydrophobicContact CE2-CG2 3.47Å; Y265-T267 VanDerWaalsContact CE2-CG2 3.47Å; Y265-I274 CarbonylContact O-C 3.59Å; Y265-I274 WeakPolarHBondContact O-CA 3.39Å; Y265-V275 HydrophobicContact CD1-CB 4.45Å; Y265-V275 WeakPolarHBondContact CD1-O 3.46Å; Y265-V275 HydrophobicContact CD2-CB 4.36Å; Y265-V275 HydrophobicContact CE1-CB 4.21Å; Y265-V275 HydrophobicContact CE1-CG1 3.89Å; Y265-V275 HydrophobicContact CE2-CB 4.15Å; Y265-V275 HydrophobicContact CE2-CG1 4.1Å; Y265-V275 PolarHBondContact N-O 2.98Å; Y265-V275 PolarHBondContact O-N 2.84Å; Y265-S277 WeakPolarHBondContact CE1-OG 3.45Å; Y265-S277 PolarHBondContact OH-OG 2.86Å; Y265-S277 VanDerWaalsContact OH-OG 3.12Å
266	A	98.8	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.9	170.9	0	0	0	0	0	110.8	G237 Y242 N273 K296	G237-A266 PolarHBondContact N-O 3.49Å; Y242-A266 HydrophobicContact CD1-CB 4.35Å; Y242-A266 HydrophobicContact CD2-CB 3.82Å; Y242-A266 WeakPolarHBondContact CD2-O 3.34Å; Y242-A266 HydrophobicContact CG-CB 3.7Å; A266-N273 WeakPolarHBondContact CB-O 3.2Å; A266-K296 HydrophobicContact CB-CB 3.93Å; A266-K296 HydrophobicContact CB-CD 3.99Å
267	T	98.7	Very high	97.7	Very high	11 Å²	11	25.1 Å²	25.1	7%	0.067	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-129.1	156.9	-177.4	69.6	0	0	0	0	110	S235 Y265 Q269 N270 G272 V275	S235-T267 WeakPolarHBondContact O-CG2 3.37Å; Y265-T267 HydrophobicContact CD2-CG2 3.85Å; Y265-T267 HydrophobicContact CE2-CG2 3.47Å; Y265-T267 VanDerWaalsContact CE2-CG2 3.47Å; T267-Q269 VanDerWaalsContact C-N 3.25Å; T267-Q269 PolarHBondContact O-N 2.82Å; T267-N270 PolarHBondContact O-N 3.5Å; T267-N270 WeakPolarHBondContact OG1-CB 3.37Å; T267-N270 PolarHBondContact OG1-N 2.96Å; T267-N270 VanDerWaalsContact OG1-N 3.1Å; T267-G272 PolarHBondContact O-N 3.45Å; T267-V275 HydrophobicContact CG2-CG2 4.11Å
268	N	98.3	Very high	97.8	Very high	121 Å²	121	28.8 Å²	28.8	65%	0.647	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-33.8	173.1	-173.8	66.3	0	0	0	111.6	Y242 N270 A271	Y242-N268 WeakPolarHBondContact OH-CA 3.39Å; N268-N270 VanDerWaalsContact C-N 3.28Å; N268-N270 PolarHBondContact O-N 3.04Å; N268-A271 PolarHBondContact O-N 3.34Å
269	Q	97.8	Very high	98.1	Very high	137 Å²	137	28.3 Å²	28.3	64%	0.64	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.7	178.7	-64	81.7	-5.6	0	0	112.1	S235 T267 A271	S235-Q269 PolarHBondContact OG-NE2 2.67Å; T267-Q269 VanDerWaalsContact C-N 3.25Å; T267-Q269 PolarHBondContact O-N 2.82Å; Q269-A271 VanDerWaalsContact C-N 3.29Å
270	N	98.4	Very high	98.4	Very high	26 Å²	26	27.1 Å²	27.1	14%	0.139	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	24.9	172.7	-159.9	35.5	0	0	0	112.6	T267 N268 G272 N273 I274 V275 T292	T267-N270 PolarHBondContact O-N 3.5Å; T267-N270 WeakPolarHBondContact OG1-CB 3.37Å; T267-N270 PolarHBondContact OG1-N 2.96Å; T267-N270 VanDerWaalsContact OG1-N 3.1Å; N268-N270 VanDerWaalsContact C-N 3.28Å; N268-N270 PolarHBondContact O-N 3.04Å; N270-G272 PolarHBondContact O-N 3.14Å; N270-G272 VanDerWaalsContact O-N 3.08Å; N270-N273 WeakPolarHBondContact ND2-CB 3.48Å; N270-N273 PolarHBondContact ND2-O 3.4Å; N270-N273 VanDerWaalsContact O-CB 3.27Å; N270-N273 WeakPolarHBondContact O-CB 3.2Å; N270-N273 PolarHBondContact O-N 3.22Å; N270-I274 PolarHBondContact ND2-O 3.08Å; N270-V275 HydrophobicContact CB-CG2 3.82Å; N270-T292 PolarHBondContact ND2-O 2.88Å
271	A	98.3	Very high	98.5	Very high	79 Å²	79	28.4 Å²	28.4	65%	0.653	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	31.3	178.1	0	0	0	0	0	115	N268 Q269 N273	N268-A271 PolarHBondContact O-N 3.34Å; Q269-A271 VanDerWaalsContact C-N 3.29Å; A271-N273 PolarHBondContact O-N 2.9Å
272	G	98.4	Very high	98.3	Very high	4 Å²	4	32.3 Å²	32.3	4%	0.041	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	7.4	-176.9	0	0	0	0	0	114.8	Y242 T267 N270 K296	Y242-G272 VanDerWaalsContact CE1-CA 3.45Å; T267-G272 PolarHBondContact O-N 3.45Å; N270-G272 PolarHBondContact O-N 3.14Å; N270-G272 VanDerWaalsContact O-N 3.08Å; G272-K296 PolarHBondContact O-N 3.32Å; G272-K296 VanDerWaalsContact O-N 3.12Å
273	N	98.8	Very high	98.3	Very high	38 Å²	38	34.6 Å²	34.6	20%	0.203	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	153.1	168.2	-63.2	-27.9	0	0	0	110.9	A266 N270 A271 V275 T292 Y294 S295	A266-N273 WeakPolarHBondContact CB-O 3.2Å; N270-N273 WeakPolarHBondContact ND2-CB 3.48Å; N270-N273 PolarHBondContact ND2-O 3.4Å; N270-N273 VanDerWaalsContact O-CB 3.27Å; N270-N273 WeakPolarHBondContact O-CB 3.2Å; N270-N273 PolarHBondContact O-N 3.22Å; A271-N273 PolarHBondContact O-N 2.9Å; N273-V275 PolarHBondContact O-N 2.89Å; N273-T292 VanDerWaalsContact CB-O 3.29Å; N273-T292 WeakPolarHBondContact CB-O 3.46Å; N273-Y294 CarbonylContact C-O 3.58Å; N273-Y294 VanDerWaalsContact CA-O 3.28Å; N273-Y294 WeakPolarHBondContact CA-O 3.49Å; N273-S295 WeakPolarHBondContact OD1-CA 3.49Å; N273-S295 PolarHBondContact OD1-N 3.15Å
274	I	98.8	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	134.7	-177.3	-74.1	162.9	0	0	0	110.2	V264 Y265 N270 I276 T292 Y294 K296 A299 L309 I311	V264-I274 HydrophobicContact CG1-CG2 3.58Å; Y265-I274 CarbonylContact O-C 3.59Å; Y265-I274 WeakPolarHBondContact O-CA 3.39Å; N270-I274 PolarHBondContact ND2-O 3.08Å; I274-I276 HydrophobicContact CG2-CG1 4.27Å; I274-T292 HydrophobicContact CB-CG2 4.43Å; I274-T292 VanDerWaalsContact CB-OG1 3.31Å; I274-T292 WeakPolarHBondContact CB-OG1 3.41Å; I274-T292 HydrophobicContact CG2-CG2 4.13Å; I274-T292 PolarHBondContact N-OG1 3.36Å; I274-T292 WeakPolarHBondContact O-CB 3.44Å; I274-T292 WeakPolarHBondContact O-CG2 3.23Å; I274-T292 PolarHBondContact O-N 2.95Å; I274-T292 PolarHBondContact O-OG1 2.67Å; I274-Y294 HydrophobicContact CD1-CD1 4.35Å; I274-Y294 PolarHBondContact N-O 2.86Å; I274-K296 HydrophobicContact CD1-CB 4.26Å; I274-K296 HydrophobicContact CD1-CG 4.23Å; I274-K296 HydrophobicContact CG1-CB 3.57Å; I274-K296 HydrophobicContact CG1-CD 4.14Å; I274-K296 HydrophobicContact CG1-CG 3.74Å; I274-A299 HydrophobicContact CD1-CB 4.21Å; I274-L309 HydrophobicContact CG2-CD2 3.71Å; I274-I311 HydrophobicContact CD1-CD1 3.55Å; I274-I311 HydrophobicContact CD1-CG1 4.35Å
275	V	98.9	Very high	98.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.3	171.1	-179.4	0	0	0	0	107.2	V264 Y265 T267 N270 N273 T289 W290	V264-V275 WeakPolarHBondContact CA-O 3.49Å; Y265-V275 HydrophobicContact CD1-CB 4.45Å; Y265-V275 WeakPolarHBondContact CD1-O 3.46Å; Y265-V275 HydrophobicContact CD2-CB 4.36Å; Y265-V275 HydrophobicContact CE1-CB 4.21Å; Y265-V275 HydrophobicContact CE1-CG1 3.89Å; Y265-V275 HydrophobicContact CE2-CB 4.15Å; Y265-V275 HydrophobicContact CE2-CG1 4.1Å; Y265-V275 PolarHBondContact N-O 2.98Å; Y265-V275 PolarHBondContact O-N 2.84Å; T267-V275 HydrophobicContact CG2-CG2 4.11Å; N270-V275 HydrophobicContact CB-CG2 3.82Å; N273-V275 PolarHBondContact O-N 2.89Å; V275-T289 HydrophobicContact CG1-CG2 3.5Å; V275-W290 WeakPolarHBondContact CA-O 3.47Å
276	I	98.8	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.2	177	-53.2	164.1	0	0	0	106.8	W262 A263 V264 I274 T289 W290 T292 M304 L309 F325 T327	W262-I276 HydrophobicContact CE3-CG2 3.75Å; W262-I276 HydrophobicContact CZ3-CG2 4.14Å; A263-I276 CarbonylContact O-C 3.57Å; A263-I276 WeakPolarHBondContact O-CA 3.15Å; V264-I276 HydrophobicContact CG2-CG1 4.49Å; I274-I276 HydrophobicContact CG2-CG1 4.27Å; I276-T289 CarbonylContact O-C 3.51Å; I276-T289 VanDerWaalsContact O-CA 3.27Å; I276-T289 WeakPolarHBondContact O-CA 3.42Å; I276-W290 HydrophobicContact CB-CB 4.46Å; I276-W290 HydrophobicContact CB-CE3 4.46Å; I276-W290 HydrophobicContact CG2-CE3 4.4Å; I276-W290 PolarHBondContact N-O 3.12Å; I276-W290 PolarHBondContact O-N 3.24Å; I276-T292 HydrophobicContact CD1-CG2 3.81Å; I276-T292 HydrophobicContact CG1-CG2 4.14Å; I276-M304 HydrophobicContact CG2-CE 4.39Å; I276-L309 HydrophobicContact CD1-CB 3.68Å; I276-L309 HydrophobicContact CD1-CD2 3.7Å; I276-L309 HydrophobicContact CD1-CG 4.26Å; I276-L309 HydrophobicContact CG1-CD2 3.86Å; I276-F325 HydrophobicContact CD1-CD1 3.65Å; I276-F325 HydrophobicContact CD1-CE1 4.21Å; I276-F325 HydrophobicContact CD1-CG 4.33Å; I276-T327 HydrophobicContact CD1-CG2 4.17Å; I276-T327 HydrophobicContact CG2-CG2 4.26Å
277	S	98.8	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.5	170.3	-69.1	0	0	0	0	110.9	W262 A263 Y265 D288 T289	W262-S277 CarbonylContact C-O 3.53Å; W262-S277 WeakPolarHBondContact CA-O 2.99Å; A263-S277 PolarHBondContact N-O 3.42Å; A263-S277 PolarHBondContact O-N 2.94Å; Y265-S277 WeakPolarHBondContact CE1-OG 3.45Å; Y265-S277 PolarHBondContact OH-OG 2.86Å; Y265-S277 VanDerWaalsContact OH-OG 3.12Å; S277-D288 CarbonylContact C-O 3.48Å; S277-D288 VanDerWaalsContact CA-O 3.23Å; S277-D288 WeakPolarHBondContact CA-O 3.36Å; S277-T289 PolarHBondContact OG-OG1 3.17Å
278	R	98.6	Very high	98.1	Very high	81 Å²	81	48.7 Å²	48.7	31%	0.306	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.8	169.2	-160.6	173.8	73.4	178.2	-2.9	108.9	W262 L287 D288 W290	W262-R278 HydrophobicContact CD2-CB 4.31Å; W262-R278 HydrophobicContact CD2-CG 4.06Å; W262-R278 HydrophobicContact CE3-CB 3.66Å; W262-R278 HydrophobicContact CE3-CG 3.9Å; W262-R278 HydrophobicContact CH2-CB 4.06Å; W262-R278 HydrophobicContact CH2-CG 3.97Å; W262-R278 HydrophobicContact CZ2-CG 4.08Å; W262-R278 HydrophobicContact CZ3-CB 3.55Å; W262-R278 HydrophobicContact CZ3-CG 3.88Å; R278-L287 PolarHBondContact O-N 2.78Å; R278-D288 HydrophobicContact CB-CB 4.44Å; R278-D288 IonicContact CZ-OD2 3.25Å; R278-D288 PolarHBondContact N-O 2.82Å; R278-D288 IonicContact NE-OD2 2.63Å; R278-D288 IonicContact NH2-OD2 2.74Å; R278-D288 PolarHBondContact NH2-OD2 2.79Å; R278-W290 HydrophobicContact CB-CH2 4.36Å; R278-W290 HydrophobicContact CB-CZ3 4.09Å
279	L	98.6	Very high	98.1	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.7	-176	-57.7	-175.5	0	0	0	111.4	I217 L233 L254 L261 A263 P281 Q285 I286	I217-L279 HydrophobicContact CD1-CD1 3.64Å; L233-L279 HydrophobicContact CD1-CD2 4.35Å; L254-L279 HydrophobicContact CD2-CD1 4.48Å; L261-L279 HydrophobicContact CD2-CB 4.16Å; L261-L279 HydrophobicContact CD2-CD1 4.39Å; L261-L279 HydrophobicContact CG-CB 4.25Å; L261-L279 PolarHBondContact O-N 3.39Å; A263-L279 HydrophobicContact CB-CD1 3.89Å; A263-L279 HydrophobicContact CB-CG 4.29Å; L279-P281 WeakPolarHBondContact O-CD 3.39Å; L279-Q285 CarbonylContact C-O 3.51Å; L279-Q285 WeakPolarHBondContact CA-O 3.28Å; L279-I286 HydrophobicContact CD2-CB 4.45Å; L279-I286 HydrophobicContact CD2-CG1 3.8Å
280	N	98.1	Very high	98.2	Very high	46 Å²	46	41.7 Å²	41.7	25%	0.246	23%	0.228	C	C	.	.			trans	-69	120.7	161.5	-176.5	-64.5	0	0	0	108.3	D282 T283 L284 Q285 L287	N280-D282 PolarHBondContact O-N 2.86Å; N280-D282 WeakPolarHBondContact OD1-CA 3.25Å; N280-D282 WeakPolarHBondContact OD1-CB 3.44Å; N280-D282 PolarHBondContact OD1-N 2.86Å; N280-T283 WeakPolarHBondContact CB-OG1 3.49Å; N280-T283 PolarHBondContact OD1-N 2.83Å; N280-T283 PolarHBondContact OD1-OG1 2.93Å; N280-L284 WeakPolarHBondContact O-CA 3.36Å; N280-L284 PolarHBondContact O-N 3.09Å; N280-Q285 PolarHBondContact N-O 2.68Å; N280-L287 HydrophobicContact CB-CD1 4.39Å; N280-L287 HydrophobicContact CB-CD2 4.1Å; N280-L287 HydrophobicContact CB-CG 4.27Å
281	P	96.8	Very high	98.2	Very high	36 Å²	36	45 Å²	45	23%	0.234	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.3	-175.2	27.1	-34.8	0	0	0	112.9	Y203 Y208 L261 L279	Y203-P281 HydrophobicContact CD1-CB 4.01Å; Y203-P281 HydrophobicContact CE1-CB 3.86Å; Y203-P281 HydrophobicContact CE1-CG 4.23Å; Y208-P281 VanDerWaalsContact CE1-O 3.28Å; Y208-P281 WeakPolarHBondContact CE1-O 3.29Å; Y208-P281 PolarHBondContact OH-O 3.42Å; L261-P281 HydrophobicContact CB-CB 4.48Å; L261-P281 HydrophobicContact CD2-CB 4.41Å; L279-P281 WeakPolarHBondContact O-CD 3.39Å
282	D	95.3	Very high	98.2	Very high	84 Å²	84	41.4 Å²	41.4	45%	0.449	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-48.6	179.7	-68.9	-54.1	0	0	0	113.2	R219 T229 N280	R219-D282 IonicContact CZ-OD1 2.92Å; R219-D282 VanDerWaalsContact CZ-OD1 3.26Å; R219-D282 VanDerWaalsContact NH1-CA 3.29Å; R219-D282 PolarHBondContact NH1-O 2.74Å; R219-D282 IonicContact NH1-OD1 2.83Å; R219-D282 PolarHBondContact NH1-OD1 2.81Å; R219-D282 IonicContact NH2-OD1 2.83Å; R219-D282 PolarHBondContact NH2-OD1 2.88Å; T229-D282 PolarHBondContact OG1-O 3.29Å; N280-D282 PolarHBondContact O-N 2.86Å; N280-D282 WeakPolarHBondContact OD1-CA 3.25Å; N280-D282 WeakPolarHBondContact OD1-CB 3.44Å; N280-D282 PolarHBondContact OD1-N 2.86Å
283	T	97.3	Very high	98.2	Very high	50 Å²	50	47.1 Å²	47.1	31%	0.307	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-9.1	-173.3	69.1	0	0	0	0	113.8	R231 N280 Q285	R231-T283 PolarHBondContact NE-O 3.01Å; N280-T283 WeakPolarHBondContact CB-OG1 3.49Å; N280-T283 PolarHBondContact OD1-N 2.83Å; N280-T283 PolarHBondContact OD1-OG1 2.93Å; T283-Q285 PolarHBondContact O-N 2.85Å; T283-Q285 VanDerWaalsContact O-N 3.1Å; T283-Q285 WeakPolarHBondContact OG1-CB 3.47Å; T283-Q285 WeakPolarHBondContact OG1-CG 3.49Å; T283-Q285 PolarHBondContact OG1-N 2.87Å
284	L	98.4	Very high	98.1	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	24%	0.236	C	C	.	.			trans	58.8	8.2	-170.1	-56.9	177.7	0	0	0	114.3	Y208 I217 R219 T229 R231 L261 N280	Y208-L284 HydrophobicContact CD1-CD2 3.65Å; Y208-L284 HydrophobicContact CE1-CD2 3.61Å; I217-L284 HydrophobicContact CB-CD1 4.23Å; I217-L284 HydrophobicContact CG2-CD1 3.96Å; I217-L284 HydrophobicContact CG2-CD2 4.1Å; I217-L284 WeakPolarHBondContact O-CD1 3.09Å; R219-L284 HydrophobicContact CB-CD1 4.37Å; T229-L284 HydrophobicContact CG2-CD1 4.03Å; T229-L284 HydrophobicContact CG2-CG 4.11Å; R231-L284 HydrophobicContact CB-CB 3.73Å; R231-L284 HydrophobicContact CB-CD1 4.2Å; R231-L284 VanDerWaalsContact CD-O 3.24Å; R231-L284 WeakPolarHBondContact CD-O 3.4Å; L261-L284 HydrophobicContact CD2-CD2 4.38Å; N280-L284 WeakPolarHBondContact O-CA 3.36Å; N280-L284 PolarHBondContact O-N 3.09Å
285	Q	98.1	Very high	98.1	Very high	95 Å²	95	48.1 Å²	48.1	44%	0.444	25%	0.247	S	C	.	.			trans	-62.5	138.6	178.5	-76.2	178.2	-14.9	0	0	110.7	L279 N280 T283 L287	L279-Q285 CarbonylContact C-O 3.51Å; L279-Q285 WeakPolarHBondContact CA-O 3.28Å; N280-Q285 PolarHBondContact N-O 2.68Å; T283-Q285 PolarHBondContact O-N 2.85Å; T283-Q285 VanDerWaalsContact O-N 3.1Å; T283-Q285 WeakPolarHBondContact OG1-CB 3.47Å; T283-Q285 WeakPolarHBondContact OG1-CG 3.49Å; T283-Q285 PolarHBondContact OG1-N 2.87Å; Q285-L287 PolarHBondContact O-N 2.9Å
286	I	98.4	Very high	98.1	Very high	71 Å²	71	48 Å²	48	36%	0.364	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	121.5	168.8	-63	174.1	0	0	0	107.6	L233 L279 T289	L233-I286 HydrophobicContact CD1-CD1 3.86Å; L233-I286 HydrophobicContact CD1-CG1 4.07Å; L279-I286 HydrophobicContact CD2-CB 4.45Å; L279-I286 HydrophobicContact CD2-CG1 3.8Å; I286-T289 VanDerWaalsContact CG2-OG1 3.23Å; I286-T289 WeakPolarHBondContact CG2-OG1 3.37Å
287	L	97.9	Very high	98.1	Very high	80 Å²	80	53.9 Å²	53.9	42%	0.419	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-45.7	174.3	-62.1	176.7	0	0	0	110.4	R278 N280 Q285	R278-L287 PolarHBondContact O-N 2.78Å; N280-L287 HydrophobicContact CB-CD1 4.39Å; N280-L287 HydrophobicContact CB-CD2 4.1Å; N280-L287 HydrophobicContact CB-CG 4.27Å; Q285-L287 PolarHBondContact O-N 2.9Å
288	D	98	Very high	98.1	Very high	67 Å²	67	58.6 Å²	58.6	36%	0.358	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.1	-173.3	-59	-76.4	0	0	0	109.1	S277 R278 W290	S277-D288 CarbonylContact C-O 3.48Å; S277-D288 VanDerWaalsContact CA-O 3.23Å; S277-D288 WeakPolarHBondContact CA-O 3.36Å; R278-D288 HydrophobicContact CB-CB 4.44Å; R278-D288 IonicContact CZ-OD2 3.25Å; R278-D288 PolarHBondContact N-O 2.82Å; R278-D288 IonicContact NE-OD2 2.63Å; R278-D288 IonicContact NH2-OD2 2.74Å; R278-D288 PolarHBondContact NH2-OD2 2.79Å; D288-W290 HydrophobicContact CB-CE3 4.39Å; D288-W290 HydrophobicContact CB-CH2 3.13Å; D288-W290 HydrophobicContact CB-CZ2 3.83Å; D288-W290 HydrophobicContact CB-CZ3 3.45Å; D288-W290 VanDerWaalsContact CB-CZ3 3.45Å
289	T	98.5	Very high	98.1	Very high	68 Å²	68	54.7 Å²	54.7	42%	0.417	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140.1	-179.7	-66.3	0	0	0	0	111.9	V275 I276 S277 I286	V275-T289 HydrophobicContact CG1-CG2 3.5Å; I276-T289 CarbonylContact O-C 3.51Å; I276-T289 VanDerWaalsContact O-CA 3.27Å; I276-T289 WeakPolarHBondContact O-CA 3.42Å; S277-T289 PolarHBondContact OG-OG1 3.17Å; I286-T289 VanDerWaalsContact CG2-OG1 3.23Å; I286-T289 WeakPolarHBondContact CG2-OG1 3.37Å
290	W	98.7	Very high	98.1	Very high	42 Å²	42	54.6 Å²	54.6	16%	0.159	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.2	177.2	-59.9	-101.4	0	0	0	110.9	W262 V275 I276 R278 D288 F325 T327	W262-W290 HydrophobicContact CE3-CZ3 4.4Å; W262-W290 HydrophobicContact CH2-CH2 4.2Å; W262-W290 HydrophobicContact CH2-CZ3 4.3Å; W262-W290 HydrophobicContact CZ3-CE3 4.26Å; W262-W290 AromaticContact CZ3-CH2 3.86Å; W262-W290 HydrophobicContact CZ3-CH2 3.86Å; W262-W290 AromaticContact CZ3-CZ3 3.51Å; W262-W290 HydrophobicContact CZ3-CZ3 3.51Å; V275-W290 WeakPolarHBondContact CA-O 3.47Å; I276-W290 HydrophobicContact CB-CB 4.46Å; I276-W290 HydrophobicContact CB-CE3 4.46Å; I276-W290 HydrophobicContact CG2-CE3 4.4Å; I276-W290 PolarHBondContact N-O 3.12Å; I276-W290 PolarHBondContact O-N 3.24Å; R278-W290 HydrophobicContact CB-CH2 4.36Å; R278-W290 HydrophobicContact CB-CZ3 4.09Å; D288-W290 HydrophobicContact CB-CE3 4.39Å; D288-W290 HydrophobicContact CB-CH2 3.13Å; D288-W290 HydrophobicContact CB-CZ2 3.83Å; D288-W290 HydrophobicContact CB-CZ3 3.45Å; D288-W290 VanDerWaalsContact CB-CZ3 3.45Å; W290-F325 HydrophobicContact CB-CE1 3.77Å; W290-F325 HydrophobicContact CB-CZ 4.08Å; W290-F325 HydrophobicContact CG-CE1 4.14Å; W290-T327 HydrophobicContact CD2-CG2 3.91Å; W290-T327 HydrophobicContact CE3-CG2 4.07Å; W290-T327 HydrophobicContact CG-CG2 4.24Å; W290-T327 HydrophobicContact CZ3-CG2 4.47Å; W290-T327 PolarHBondContact NE1-O 2.82Å
291	N	98.5	Very high	98.1	Very high	96 Å²	96	52.5 Å²	52.5	51%	0.513	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.5	171.5	-68.4	-28.3	0	0	0	109.4
292	T	98.4	Very high	98.1	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	171.5	171.6	79.7	0	0	0	0	110.5	N270 N273 I274 I276 Y294 F325	N270-T292 PolarHBondContact ND2-O 2.88Å; N273-T292 VanDerWaalsContact CB-O 3.29Å; N273-T292 WeakPolarHBondContact CB-O 3.46Å; I274-T292 HydrophobicContact CB-CG2 4.43Å; I274-T292 VanDerWaalsContact CB-OG1 3.31Å; I274-T292 WeakPolarHBondContact CB-OG1 3.41Å; I274-T292 HydrophobicContact CG2-CG2 4.13Å; I274-T292 PolarHBondContact N-OG1 3.36Å; I274-T292 WeakPolarHBondContact O-CB 3.44Å; I274-T292 WeakPolarHBondContact O-CG2 3.23Å; I274-T292 PolarHBondContact O-N 2.95Å; I274-T292 PolarHBondContact O-OG1 2.67Å; I276-T292 HydrophobicContact CD1-CG2 3.81Å; I276-T292 HydrophobicContact CG1-CG2 4.14Å; T292-Y294 PolarHBondContact OG1-N 3.36Å; T292-F325 HydrophobicContact CG2-CB 4.23Å; T292-F325 HydrophobicContact CG2-CD1 4.16Å; T292-F325 HydrophobicContact CG2-CD2 3.77Å; T292-F325 HydrophobicContact CG2-CE2 4.16Å; T292-F325 HydrophobicContact CG2-CG 3.79Å
293	E	97.8	Very high	98.3	Very high	124 Å²	124	46.8 Å²	46.8	58%	0.579	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	12.3	176.7	-60.8	-175.9	-179.6	0	0	112.8	Y332	E293-Y332 HydrophobicContact CB-CE1 4.35Å; E293-Y332 VanDerWaalsContact CD-CE1 3.49Å; E293-Y332 HydrophobicContact CG-CE1 4.12Å; E293-Y332 WeakPolarHBondContact OE2-CE1 3.14Å; E293-Y332 PolarHBondContact OE2-OH 2.86Å
294	Y	98.5	Very high	98.3	Very high	26 Å²	26	44.4 Å²	44.4	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.7	-177	-158.3	-82.3	0	0	0	111.8	N273 I274 T292 K296 N298 A299 I311 Y322 Y323	N273-Y294 CarbonylContact C-O 3.58Å; N273-Y294 VanDerWaalsContact CA-O 3.28Å; N273-Y294 WeakPolarHBondContact CA-O 3.49Å; I274-Y294 HydrophobicContact CD1-CD1 4.35Å; I274-Y294 PolarHBondContact N-O 2.86Å; T292-Y294 PolarHBondContact OG1-N 3.36Å; Y294-K296 PolarHBondContact O-N 3.29Å; Y294-N298 HydrophobicContact CE1-CB 4.16Å; Y294-A299 HydrophobicContact CD1-CB 4.33Å; Y294-A299 HydrophobicContact CE1-CB 3.98Å; Y294-I311 HydrophobicContact CD1-CD1 4.01Å; Y294-I311 HydrophobicContact CD1-CG2 3.99Å; Y294-I311 HydrophobicContact CE1-CG2 3.81Å; Y294-I311 HydrophobicContact CG-CD1 3.92Å; Y294-Y322 HydrophobicContact CE2-CD1 4.31Å; Y294-Y323 HydrophobicContact CD2-CD1 4.18Å; Y294-Y323 AromaticContact CD2-CD2 3.6Å; Y294-Y323 HydrophobicContact CD2-CD2 3.6Å; Y294-Y323 HydrophobicContact CD2-CE2 4.11Å; Y294-Y323 AromaticContact CD2-CG 3.61Å; Y294-Y323 HydrophobicContact CD2-CG 3.61Å; Y294-Y323 HydrophobicContact CE2-CD2 4.3Å; Y294-Y323 HydrophobicContact CE2-CG 4.23Å; Y294-Y323 HydrophobicContact CG-CD1 4.4Å; Y294-Y323 HydrophobicContact CG-CD2 4.47Å; Y294-Y323 HydrophobicContact CG-CG 4.27Å
295	S	98.5	Very high	98.2	Very high	34 Å²	34	44.3 Å²	44.3	24%	0.238	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123.5	178.7	-175.9	0	0	0	0	111.6	N273 R297 N298 A299	N273-S295 WeakPolarHBondContact OD1-CA 3.49Å; N273-S295 PolarHBondContact OD1-N 3.15Å; S295-R297 PolarHBondContact O-N 3.48Å; S295-N298 PolarHBondContact O-N 2.99Å; S295-A299 PolarHBondContact O-N 2.96Å
296	K	98.7	Very high	98.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61.8	-33.7	-178.3	-164.9	166.4	-175	-55.5	0	112.6	Y242 Y244 S250 D251 A266 G272 I274 Y294 N298 A299	Y242-K296 WeakPolarHBondContact O-CD 3.38Å; Y242-K296 PolarHBondContact O-NZ 2.92Å; Y244-K296 HydrophobicContact CD1-CG 4.11Å; Y244-K296 HydrophobicContact CE1-CG 3.99Å; S250-K296 PolarHBondContact O-NZ 3.34Å; D251-K296 WeakPolarHBondContact O-CE 3.46Å; D251-K296 PolarHBondContact O-NZ 2.83Å; A266-K296 HydrophobicContact CB-CB 3.93Å; A266-K296 HydrophobicContact CB-CD 3.99Å; G272-K296 PolarHBondContact O-N 3.32Å; G272-K296 VanDerWaalsContact O-N 3.12Å; I274-K296 HydrophobicContact CD1-CB 4.26Å; I274-K296 HydrophobicContact CD1-CG 4.23Å; I274-K296 HydrophobicContact CG1-CB 3.57Å; I274-K296 HydrophobicContact CG1-CD 4.14Å; I274-K296 HydrophobicContact CG1-CG 3.74Å; Y294-K296 PolarHBondContact O-N 3.29Å; K296-N298 PolarHBondContact O-N 3.43Å; K296-A299 WeakPolarHBondContact O-CB 3.28Å; K296-A299 PolarHBondContact O-N 3.46Å; K296-A299 VanDerWaalsContact O-N 3.11Å
297	R	98.4	Very high	97.9	Very high	122 Å²	122	37.6 Å²	37.6	46%	0.46	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-68.2	-15.1	177.2	-71.3	177.2	173.7	-100.4	9.4	113.8	N240 V241 P243 T245 S295	N240-R297 PolarHBondContact O-NH2 3.43Å; V241-R297 VanDerWaalsContact C-NH2 3.3Å; V241-R297 PolarHBondContact O-NE 2.86Å; V241-R297 PolarHBondContact O-NH2 3.45Å; P243-R297 WeakPolarHBondContact O-CA 3.26Å; T245-R297 WeakPolarHBondContact CG2-O 3.25Å; S295-R297 PolarHBondContact O-N 3.48Å
298	N	98.3	Very high	97.9	Very high	99 Å²	99	34.9 Å²	34.9	53%	0.529	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-98.1	-6.8	175	-66.8	-14.4	0	0	0	112.8	T245 Y294 S295 K296	T245-N298 VanDerWaalsContact CG2-C 3.49Å; Y294-N298 HydrophobicContact CE1-CB 4.16Å; S295-N298 PolarHBondContact O-N 2.99Å; K296-N298 PolarHBondContact O-N 3.43Å
299	A	98.6	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.			trans	-83.3	137.8	177.7	0	0	0	0	0	111.2	Y244 T245 I274 Y294 S295 K296 I311 T312	Y244-A299 WeakPolarHBondContact CB-O 3.19Å; Y244-A299 HydrophobicContact CD1-CB 3.7Å; Y244-A299 HydrophobicContact CE1-CB 3.91Å; T245-A299 VanDerWaalsContact CG2-O 3.28Å; T245-A299 WeakPolarHBondContact CG2-O 3.26Å; T245-A299 PolarHBondContact N-O 2.72Å; T245-A299 PolarHBondContact OG1-O 2.62Å; I274-A299 HydrophobicContact CD1-CB 4.21Å; Y294-A299 HydrophobicContact CD1-CB 4.33Å; Y294-A299 HydrophobicContact CE1-CB 3.98Å; S295-A299 PolarHBondContact O-N 2.96Å; K296-A299 WeakPolarHBondContact O-CB 3.28Å; K296-A299 PolarHBondContact O-N 3.46Å; K296-A299 VanDerWaalsContact O-N 3.11Å; A299-I311 HydrophobicContact CB-CG2 3.41Å; A299-I311 VanDerWaalsContact CB-CG2 3.41Å; A299-T312 WeakPolarHBondContact CA-O 3.41Å
300	G	98	Very high	98	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-67.3	-58.6	170.8	0	0	0	0	0	112.1	Y244 T245 T312	Y244-G300 WeakPolarHBondContact CB-O 3.49Å; T245-G300 WeakPolarHBondContact OG1-CA 3.22Å; G300-T312 WeakPolarHBondContact CA-OG1 3.25Å; G300-T312 PolarHBondContact N-O 3.01Å
301	E	98.1	Very high	98	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	13%	0.132	C	C	.	.			trans	-161.7	166.4	-179.2	-83.4	-56.5	158.6	0	0	107.3	Y244 W246 T312 M346 L349	Y244-E301 WeakPolarHBondContact CD2-OE2 3.36Å; Y244-E301 VanDerWaalsContact CE2-OE2 3.29Å; Y244-E301 WeakPolarHBondContact CE2-OE2 3.34Å; W246-E301 PolarHBondContact NE1-OE1 3.48Å; E301-T312 PolarHBondContact N-OG1 2.83Å; E301-T312 PolarHBondContact O-N 2.71Å; E301-T312 PolarHBondContact O-OG1 2.94Å; E301-M346 HydrophobicContact CG-CG 4.37Å; E301-L349 HydrophobicContact CB-CB 3.96Å; E301-L349 HydrophobicContact CG-CB 4.11Å
302	S	98.4	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.1	172.5	78.9	0	0	0	0	112.4	Y244 Y310	Y244-S302 PolarHBondContact OH-OG 3.46Å; S302-Y310 CarbonylContact C-O 3.56Å; S302-Y310 WeakPolarHBondContact CA-O 3.35Å; S302-Y310 VanDerWaalsContact CB-O 3.31Å; S302-Y310 WeakPolarHBondContact CB-O 3.33Å
303	F	98.6	Very high	97.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155	175.6	52.6	-91	0	0	0	110.5	L127 I130 I305 Y310 V321 L349 L358	L127-F303 HydrophobicContact CD2-CE2 3.93Å; L127-F303 HydrophobicContact CD2-CZ 3.87Å; I130-F303 HydrophobicContact CD1-CZ 4.27Å; F303-I305 HydrophobicContact CD2-CD1 3.97Å; F303-I305 HydrophobicContact CD2-CG1 3.97Å; F303-I305 HydrophobicContact CE2-CD1 3.71Å; F303-I305 HydrophobicContact CE2-CG1 4.2Å; F303-Y310 HydrophobicContact CD2-CD2 4.28Å; F303-Y310 AromaticContact CE2-CD2 3.92Å; F303-Y310 HydrophobicContact CE2-CD2 3.92Å; F303-Y310 AromaticContact CE2-CG 3.91Å; F303-Y310 HydrophobicContact CE2-CG 3.91Å; F303-Y310 HydrophobicContact CZ-CG 4.33Å; F303-Y310 PolarHBondContact N-O 2.83Å; F303-Y310 PolarHBondContact O-N 3.35Å; F303-V321 HydrophobicContact CE1-CG2 4.23Å; F303-V321 HydrophobicContact CZ-CG2 3.92Å; F303-L349 HydrophobicContact CD1-CD2 3.81Å; F303-L349 HydrophobicContact CD1-CG 4.05Å; F303-L349 HydrophobicContact CE1-CD2 3.73Å; F303-L349 HydrophobicContact CE1-CG 4.37Å; F303-L358 HydrophobicContact CB-CD2 4.29Å; F303-L358 HydrophobicContact CD1-CD1 4.33Å; F303-L358 HydrophobicContact CD1-CD2 4.05Å; F303-L358 HydrophobicContact CD2-CD2 3.57Å; F303-L358 HydrophobicContact CE1-CD1 3.84Å; F303-L358 HydrophobicContact CE1-CD2 4.29Å; F303-L358 HydrophobicContact CE2-CD1 4.17Å; F303-L358 HydrophobicContact CE2-CD2 3.82Å; F303-L358 HydrophobicContact CG-CD2 3.7Å; F303-L358 HydrophobicContact CZ-CD1 3.76Å; F303-L358 HydrophobicContact CZ-CD2 4.18Å
304	M	98.1	Very high	97.9	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.7	177.5	-75.4	-78.7	-76.5	0	0	110.8	M255 D257 W262 I276 T308 L309 T327 Y351	M255-M304 HydrophobicContact CG-CB 4.1Å; M255-M304 HydrophobicContact CG-CG 3.86Å; M255-M304 HydrophobicContact SD-CB 3.77Å; M255-M304 HydrophobicContact SD-CG 3.2Å; M255-M304 WeakPolarHBondContact SD-CG 3.29Å; M255-M304 PolarHBondContact SD-N 2.81Å; D257-M304 HydrophobicContact CB-CB 4.14Å; W262-M304 HydrophobicContact CD2-CE 3.49Å; W262-M304 VanDerWaalsContact CD2-CE 3.49Å; W262-M304 HydrophobicContact CE3-CE 3.67Å; W262-M304 HydrophobicContact CG-CE 4.01Å; W262-M304 HydrophobicContact CG-CG 4.36Å; W262-M304 HydrophobicContact CH2-CE 3.88Å; W262-M304 HydrophobicContact CZ2-CE 3.74Å; W262-M304 HydrophobicContact CZ3-CE 3.84Å; I276-M304 HydrophobicContact CG2-CE 4.39Å; M304-T308 WeakPolarHBondContact CA-O 3.31Å; M304-L309 HydrophobicContact CG-CD1 4.02Å; M304-L309 WeakPolarHBondContact SD-CA 3.45Å; M304-L309 HydrophobicContact SD-CB 3.58Å; M304-L309 VanDerWaalsContact SD-CB 3.58Å; M304-L309 HydrophobicContact SD-CD1 3.97Å; M304-L309 HydrophobicContact SD-CG 4.42Å; M304-L309 PolarHBondContact SD-N 3.41Å; M304-T327 HydrophobicContact CE-CG2 4.19Å; M304-Y351 WeakPolarHBondContact O-CB 3.33Å; M304-Y351 WeakPolarHBondContact O-CD1 3.47Å
305	I	96.9	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124	166.9	-56.3	175.5	0	0	0	106.2	L127 F303 G307 T308 Y310 Y351 V371 L373	L127-I305 HydrophobicContact CD1-CD1 4.23Å; F303-I305 HydrophobicContact CD2-CD1 3.97Å; F303-I305 HydrophobicContact CD2-CG1 3.97Å; F303-I305 HydrophobicContact CE2-CD1 3.71Å; F303-I305 HydrophobicContact CE2-CG1 4.2Å; I305-G307 VanDerWaalsContact C-N 3.29Å; I305-G307 PolarHBondContact O-N 3.03Å; I305-T308 PolarHBondContact N-O 3.32Å; I305-T308 WeakPolarHBondContact O-CB 3.47Å; I305-T308 PolarHBondContact O-N 3.11Å; I305-Y310 HydrophobicContact CB-CD2 4.34Å; I305-Y310 HydrophobicContact CB-CE2 3.95Å; I305-Y310 HydrophobicContact CD1-CD2 4.46Å; I305-Y310 HydrophobicContact CD1-CE2 4.47Å; I305-Y310 HydrophobicContact CG1-CD2 4.38Å; I305-Y310 HydrophobicContact CG1-CE2 4.41Å; I305-Y351 HydrophobicContact CB-CD1 4.45Å; I305-Y351 HydrophobicContact CB-CE1 4.33Å; I305-Y351 HydrophobicContact CD1-CD2 3.95Å; I305-Y351 HydrophobicContact CD1-CE2 4.08Å; I305-Y351 HydrophobicContact CD1-CG 4.32Å; I305-Y351 HydrophobicContact CG1-CD1 3.82Å; I305-Y351 HydrophobicContact CG1-CD2 3.81Å; I305-Y351 HydrophobicContact CG1-CE1 4.02Å; I305-Y351 HydrophobicContact CG1-CE2 4.03Å; I305-Y351 HydrophobicContact CG1-CG 3.68Å; I305-Y351 HydrophobicContact CG2-CE1 4.08Å; I305-V371 HydrophobicContact CD1-CG1 4.41Å; I305-V371 HydrophobicContact CD1-CG2 4.5Å; I305-L373 HydrophobicContact CD1-CD2 4.15Å; I305-L373 HydrophobicContact CG2-CD1 3.8Å; I305-L373 HydrophobicContact CG2-CD2 3.94Å
306	C	94.1	Very high	97.7	Very high	23 Å²	23	22.2 Å²	22.2	16%	0.155	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	37.5	172.6	-61.6	0	0	0	0	115.4	C124 G125 D257 E258 T308	C124-C306 WeakPolarHBondContact CA-SG 3.5Å; C124-C306 HydrophobicContact CB-CB 3.68Å; C124-C306 WeakPolarHBondContact CB-SG 3.43Å; C124-C306 WeakPolarHBondContact SG-CA 3.23Å; C124-C306 WeakPolarHBondContact SG-CB 3.35Å; C124-C306 CovalentContact SG-SG 2.01Å; C124-C306 PolarHBondContact SG-SG 3.25Å; G125-C306 PolarHBondContact N-SG 3.16Å; G125-C306 VanDerWaalsContact N-SG 3.44Å; D257-C306 PolarHBondContact OD2-N 3.47Å; E258-C306 VanDerWaalsContact CD-SG 3.54Å; E258-C306 PolarHBondContact OE2-N 3.12Å; E258-C306 PolarHBondContact OE2-SG 3.3Å; E258-C306 VanDerWaalsContact OE2-SG 3.37Å; C306-T308 PolarHBondContact O-N 2.71Å
307	G	95.9	Very high	97.4	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.021	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	10.7	-176.7	0	0	0	0	0	113.8	D257 I305 T327	D257-G307 PolarHBondContact OD2-N 3.13Å; I305-G307 VanDerWaalsContact C-N 3.29Å; I305-G307 PolarHBondContact O-N 3.03Å; G307-T327 WeakPolarHBondContact O-CB 3.28Å; G307-T327 WeakPolarHBondContact O-CG2 3.5Å; G307-T327 PolarHBondContact O-N 2.82Å; G307-T327 PolarHBondContact O-OG1 2.91Å
308	T	98.1	Very high	97	Very high	23 Å²	23	23.4 Å²	23.4	14%	0.141	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.1	174.1	-54.5	0	0	0	0	109.6	M304 I305 C306 Y310 A324 F325	M304-T308 WeakPolarHBondContact CA-O 3.31Å; I305-T308 PolarHBondContact N-O 3.32Å; I305-T308 WeakPolarHBondContact O-CB 3.47Å; I305-T308 PolarHBondContact O-N 3.11Å; C306-T308 PolarHBondContact O-N 2.71Å; T308-Y310 HydrophobicContact CG2-CD2 4.32Å; T308-Y310 HydrophobicContact CG2-CE1 4.16Å; T308-Y310 HydrophobicContact CG2-CE2 3.67Å; T308-Y310 WeakPolarHBondContact O-CD2 3.4Å; T308-Y310 WeakPolarHBondContact O-CE2 3.35Å; T308-A324 HydrophobicContact CG2-CB 4.15Å; T308-F325 CarbonylContact C-O 3.46Å; T308-F325 VanDerWaalsContact CA-O 3.28Å; T308-F325 WeakPolarHBondContact CA-O 3.23Å; T308-F325 WeakPolarHBondContact CG2-O 3.42Å
309	L	98.8	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.8	174.1	-178.5	70.5	0	0	0	109	M255 V264 I274 I276 M304 I311 A324 F325	M255-L309 HydrophobicContact SD-CD1 4.14Å; V264-L309 HydrophobicContact CG1-CD1 4.39Å; V264-L309 HydrophobicContact CG1-CD2 4.35Å; V264-L309 HydrophobicContact CG2-CD1 3.79Å; I274-L309 HydrophobicContact CG2-CD2 3.71Å; I276-L309 HydrophobicContact CD1-CB 3.68Å; I276-L309 HydrophobicContact CD1-CD2 3.7Å; I276-L309 HydrophobicContact CD1-CG 4.26Å; I276-L309 HydrophobicContact CG1-CD2 3.86Å; M304-L309 HydrophobicContact CG-CD1 4.02Å; M304-L309 WeakPolarHBondContact SD-CA 3.45Å; M304-L309 HydrophobicContact SD-CB 3.58Å; M304-L309 VanDerWaalsContact SD-CB 3.58Å; M304-L309 HydrophobicContact SD-CD1 3.97Å; M304-L309 HydrophobicContact SD-CG 4.42Å; M304-L309 PolarHBondContact SD-N 3.41Å; L309-I311 HydrophobicContact CD2-CD1 3.88Å; L309-I311 HydrophobicContact CD2-CG1 3.89Å; L309-I311 HydrophobicContact CG-CD1 4.48Å; L309-I311 HydrophobicContact CG-CG1 3.99Å; L309-A324 CarbonylContact O-C 3.6Å; L309-A324 WeakPolarHBondContact O-CA 3.44Å; L309-F325 HydrophobicContact CB-CB 4.39Å; L309-F325 PolarHBondContact N-O 2.8Å; L309-F325 PolarHBondContact O-N 2.76Å
310	Y	98.8	Very high	96.8	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.5	172.1	-66.2	-84.9	0	0	0	109.5	L127 S302 F303 I305 T308 V321 A324	L127-Y310 HydrophobicContact CB-CD1 4.13Å; L127-Y310 HydrophobicContact CB-CE1 3.54Å; L127-Y310 HydrophobicContact CB-CE2 4.05Å; L127-Y310 VanDerWaalsContact CB-CZ 3.49Å; L127-Y310 HydrophobicContact CD2-CD1 4.01Å; L127-Y310 HydrophobicContact CD2-CE1 4.28Å; L127-Y310 HydrophobicContact CD2-CG 4.18Å; L127-Y310 PolarHBondContact N-OH 3.08Å; S302-Y310 CarbonylContact C-O 3.56Å; S302-Y310 WeakPolarHBondContact CA-O 3.35Å; S302-Y310 VanDerWaalsContact CB-O 3.31Å; S302-Y310 WeakPolarHBondContact CB-O 3.33Å; F303-Y310 HydrophobicContact CD2-CD2 4.28Å; F303-Y310 AromaticContact CE2-CD2 3.92Å; F303-Y310 HydrophobicContact CE2-CD2 3.92Å; F303-Y310 AromaticContact CE2-CG 3.91Å; F303-Y310 HydrophobicContact CE2-CG 3.91Å; F303-Y310 HydrophobicContact CZ-CG 4.33Å; F303-Y310 PolarHBondContact N-O 2.83Å; F303-Y310 PolarHBondContact O-N 3.35Å; I305-Y310 HydrophobicContact CB-CD2 4.34Å; I305-Y310 HydrophobicContact CB-CE2 3.95Å; I305-Y310 HydrophobicContact CD1-CD2 4.46Å; I305-Y310 HydrophobicContact CD1-CE2 4.47Å; I305-Y310 HydrophobicContact CG1-CD2 4.38Å; I305-Y310 HydrophobicContact CG1-CE2 4.41Å; T308-Y310 HydrophobicContact CG2-CD2 4.32Å; T308-Y310 HydrophobicContact CG2-CE1 4.16Å; T308-Y310 HydrophobicContact CG2-CE2 3.67Å; T308-Y310 WeakPolarHBondContact O-CD2 3.4Å; T308-Y310 WeakPolarHBondContact O-CE2 3.35Å; Y310-V321 HydrophobicContact CD1-CG1 3.83Å; Y310-V321 HydrophobicContact CG-CG1 4.25Å; Y310-A324 HydrophobicContact CD1-CB 3.81Å; Y310-A324 HydrophobicContact CE1-CB 3.78Å
311	I	98.8	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.6	-175.4	-54.5	176.3	0	0	0	109.1	I274 Y294 A299 L309 V321 Y322 Y323	I274-I311 HydrophobicContact CD1-CD1 3.55Å; I274-I311 HydrophobicContact CD1-CG1 4.35Å; Y294-I311 HydrophobicContact CD1-CD1 4.01Å; Y294-I311 HydrophobicContact CD1-CG2 3.99Å; Y294-I311 HydrophobicContact CE1-CG2 3.81Å; Y294-I311 HydrophobicContact CG-CD1 3.92Å; A299-I311 HydrophobicContact CB-CG2 3.41Å; A299-I311 VanDerWaalsContact CB-CG2 3.41Å; L309-I311 HydrophobicContact CD2-CD1 3.88Å; L309-I311 HydrophobicContact CD2-CG1 3.89Å; L309-I311 HydrophobicContact CG-CD1 4.48Å; L309-I311 HydrophobicContact CG-CG1 3.99Å; I311-V321 WeakPolarHBondContact O-CA 3.49Å; I311-Y322 PolarHBondContact O-N 3.04Å; I311-Y323 HydrophobicContact CD1-CD1 3.55Å; I311-Y323 HydrophobicContact CD1-CE1 4.05Å; I311-Y323 HydrophobicContact CD1-CG 4.39Å; I311-Y323 HydrophobicContact CG1-CD1 4.2Å; I311-Y323 PolarHBondContact N-O 3.16Å; I311-Y323 PolarHBondContact O-N 3.35Å
312	T	98.5	Very high	96.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	145.2	172.3	64.9	0	0	0	0	110.9	A299 G300 E301 S314 K320 V321 F339 L349	A299-T312 WeakPolarHBondContact CA-O 3.41Å; G300-T312 WeakPolarHBondContact CA-OG1 3.25Å; G300-T312 PolarHBondContact N-O 3.01Å; E301-T312 PolarHBondContact N-OG1 2.83Å; E301-T312 PolarHBondContact O-N 2.71Å; E301-T312 PolarHBondContact O-OG1 2.94Å; T312-S314 VanDerWaalsContact C-N 3.32Å; T312-S314 PolarHBondContact O-N 3.05Å; T312-S314 PolarHBondContact OG1-O 2.55Å; T312-K320 CarbonylContact C-O 3.52Å; T312-K320 WeakPolarHBondContact CA-O 3.46Å; T312-V321 HydrophobicContact CG2-CG2 4.34Å; T312-F339 HydrophobicContact CG2-CE1 3.57Å; T312-F339 HydrophobicContact CG2-CZ 3.87Å; T312-L349 HydrophobicContact CG2-CD2 4.05Å
313	N	97.4	Very high	96.8	Very high	57 Å²	57	25.2 Å²	25.2	31%	0.305	15%	0.149	S	C	.	.	S	Bend	trans	-80.3	-9.5	-179.6	66.3	-22.2	0	0	0	114.6	K320 Y322	N313-K320 PolarHBondContact N-O 3.18Å; N313-K320 PolarHBondContact OD1-N 2.54Å; N313-K320 PolarHBondContact OD1-O 3.34Å; N313-K320 VanDerWaalsContact OD1-O 3.13Å; N313-Y322 HydrophobicContact CB-CD1 4.36Å; N313-Y322 HydrophobicContact CB-CG 4.16Å
314	S	96.4	Very high	96.8	Very high	31 Å²	31	25.3 Å²	25.3	22%	0.217	15%	0.15	C	C	.	.			trans	-161.7	155.3	-177.9	-170.5	0	0	0	0	110.6	T312 L316 A319	T312-S314 VanDerWaalsContact C-N 3.32Å; T312-S314 PolarHBondContact O-N 3.05Å; T312-S314 PolarHBondContact OG1-O 2.55Å; S314-L316 PolarHBondContact OG-N 2.72Å; S314-L316 VanDerWaalsContact OG-N 3.11Å; S314-A319 WeakPolarHBondContact O-CB 3.43Å
315	H	96.3	Very high	96.8	Very high	24 Å²	24	25.6 Å²	25.6	11%	0.111	15%	0.151	C	C	.	.	S	Bend	trans	-94.4	-3.9	169.1	66	-87.6	0	0	0	112.5	T245 W246 N341 H345 M346	T245-H315 WeakPolarHBondContact CB-ND1 3.43Å; T245-H315 PolarHBondContact O-CE1 2.75Å; T245-H315 PolarHBondContact OG1-ND1 3.47Å; W246-H315 HydrophobicContact CB-CB 4.12Å; W246-H315 PolarHBondContact N-ND1 3.44Å; H315-N341 PolarHBondContact O-ND2 3.03Å; H315-H345 AromaticContact CD2-CD2 3.46Å; H315-H345 PolarHBondContact CD2-CD2 2.89Å; H315-H345 VanDerWaalsContact CD2-CD2 3.46Å; H315-H345 AromaticContact CD2-NE2 3.43Å; H315-H345 PolarHBondContact CD2-NE2 3.12Å; H315-H345 AromaticContact NE2-CD2 3.84Å; H315-H345 AromaticContact NE2-NE2 3.75Å; H315-H345 WeakPolarHBondContact O-CA 3.42Å; H315-M346 WeakPolarHBondContact CB-O 3.28Å; H315-M346 PolarHBondContact O-N 3.35Å
316	L	96.9	Very high	96.8	Very high	79 Å²	79	26.8 Å²	26.8	41%	0.414	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-98	-176.5	-176	-61.3	175.9	0	0	0	112.1	S314 A319 N341 F344	S314-L316 PolarHBondContact OG-N 2.72Å; S314-L316 VanDerWaalsContact OG-N 3.11Å; L316-A319 VanDerWaalsContact O-CB 3.25Å; L316-A319 WeakPolarHBondContact O-CB 3.33Å; L316-A319 PolarHBondContact O-N 2.89Å; L316-N341 PolarHBondContact O-ND2 3.3Å; L316-F344 WeakPolarHBondContact CA-O 3.13Å; L316-F344 WeakPolarHBondContact CD2-O 3.36Å
317	T	91.9	Very high	97	Very high	84 Å²	84	26.3 Å²	26.3	52%	0.515	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	141.3	173.7	-44.8	0	0	0	0	111.8	A319 F344	T317-A319 VanDerWaalsContact C-N 3.27Å; T317-F344 VanDerWaalsContact OG1-CD1 3.26Å; T317-F344 WeakPolarHBondContact OG1-CD1 3.1Å
318	G	90	Very high	96.9	Very high	63 Å²	63	35.3 Å²	35.3	65%	0.649	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	7.2	-176.3	0	0	0	0	0	113.8
319	A	94.9	Very high	96.7	Very high	2 Å²	2	38 Å²	38	2%	0.017	21%	0.21	C	C	.	.			trans	-55.3	143.9	168.7	0	0	0	0	0	111.7	S314 L316 T317 F339	S314-A319 WeakPolarHBondContact O-CB 3.43Å; L316-A319 VanDerWaalsContact O-CB 3.25Å; L316-A319 WeakPolarHBondContact O-CB 3.33Å; L316-A319 PolarHBondContact O-N 2.89Å; T317-A319 VanDerWaalsContact C-N 3.27Å; A319-F339 HydrophobicContact CB-CE1 3.85Å; A319-F339 HydrophobicContact CB-CE2 4.3Å; A319-F339 HydrophobicContact CB-CZ 3.52Å
320	K	97.4	Very high	96.6	Very high	48 Å²	48	41.5 Å²	41.5	21%	0.209	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.2	174.9	56.7	172.2	-179.5	-177.1	0	109.7	T312 N313 Y322 D336 I337	T312-K320 CarbonylContact C-O 3.52Å; T312-K320 WeakPolarHBondContact CA-O 3.46Å; N313-K320 PolarHBondContact N-O 3.18Å; N313-K320 PolarHBondContact OD1-N 2.54Å; N313-K320 PolarHBondContact OD1-O 3.34Å; N313-K320 VanDerWaalsContact OD1-O 3.13Å; K320-Y322 PolarHBondContact O-N 2.78Å; K320-D336 WeakPolarHBondContact CD-OD1 3.28Å; K320-D336 WeakPolarHBondContact CE-OD1 3.48Å; K320-D336 IonicContact NZ-OD1 3.26Å; K320-D336 PolarHBondContact NZ-OD1 2.91Å; K320-D336 IonicContact NZ-OD2 3.65Å; K320-D336 PolarHBondContact NZ-OD2 2.92Å; K320-I337 WeakPolarHBondContact CA-O 3.43Å; K320-I337 WeakPolarHBondContact CB-O 3.37Å
321	V	98.5	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	120.3	164.6	-173	0	0	0	0	106.9	L127 I130 F303 Y310 I311 T312 T335 I337	L127-V321 HydrophobicContact CD2-CG2 4.23Å; I130-V321 HydrophobicContact CD1-CG2 3.63Å; F303-V321 HydrophobicContact CE1-CG2 4.23Å; F303-V321 HydrophobicContact CZ-CG2 3.92Å; Y310-V321 HydrophobicContact CD1-CG1 3.83Å; Y310-V321 HydrophobicContact CG-CG1 4.25Å; I311-V321 WeakPolarHBondContact O-CA 3.49Å; T312-V321 HydrophobicContact CG2-CG2 4.34Å; V321-T335 CarbonylContact O-C 3.59Å; V321-T335 PolarHBondContact O-OG1 3.43Å; V321-I337 HydrophobicContact CB-CB 4.07Å; V321-I337 HydrophobicContact CG2-CB 4.45Å; V321-I337 PolarHBondContact N-O 2.87Å; V321-I337 PolarHBondContact O-N 3.41Å; V321-I337 VanDerWaalsContact O-N 3.07Å
322	Y	98	Very high	96.5	Very high	88 Å²	88	49.6 Å²	49.6	35%	0.345	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-17.9	-169.9	-175.3	-113.5	0	0	0	113.4	Y294 I311 N313 K320 Y334 T335	Y294-Y322 HydrophobicContact CE2-CD1 4.31Å; I311-Y322 PolarHBondContact O-N 3.04Å; N313-Y322 HydrophobicContact CB-CD1 4.36Å; N313-Y322 HydrophobicContact CB-CG 4.16Å; K320-Y322 PolarHBondContact O-N 2.78Å; Y322-Y334 AromaticContact CD1-CD1 3.89Å; Y322-Y334 HydrophobicContact CD1-CD1 3.89Å; Y322-Y334 HydrophobicContact CD1-CE1 4.14Å; Y322-Y334 AromaticContact CE1-CD1 3.4Å; Y322-Y334 HydrophobicContact CE1-CD1 3.4Å; Y322-Y334 AromaticContact CE1-CE1 3.5Å; Y322-Y334 HydrophobicContact CE1-CE1 3.5Å; Y322-Y334 HydrophobicContact CE2-CD1 4.29Å; Y322-Y334 AromaticContact CZ-CD1 3.62Å; Y322-Y334 CarbonylContact O-C 3.45Å; Y322-Y334 WeakPolarHBondContact O-CA 3.21Å; Y322-Y334 WeakPolarHBondContact O-CD1 3.4Å; Y322-T335 VanDerWaalsContact C-OG1 3.25Å; Y322-T335 WeakPolarHBondContact CA-O 3.49Å; Y322-T335 WeakPolarHBondContact CD2-O 3.27Å; Y322-T335 PolarHBondContact N-OG1 3.41Å; Y322-T335 PolarHBondContact O-N 2.81Å
323	Y	98.6	Very high	96.4	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.8	-178.5	-177.5	-84.7	0	0	0	109.5	Y294 I311 F325 Y332 Y334 T335	Y294-Y323 HydrophobicContact CD2-CD1 4.18Å; Y294-Y323 AromaticContact CD2-CD2 3.6Å; Y294-Y323 HydrophobicContact CD2-CD2 3.6Å; Y294-Y323 HydrophobicContact CD2-CE2 4.11Å; Y294-Y323 AromaticContact CD2-CG 3.61Å; Y294-Y323 HydrophobicContact CD2-CG 3.61Å; Y294-Y323 HydrophobicContact CE2-CD2 4.3Å; Y294-Y323 HydrophobicContact CE2-CG 4.23Å; Y294-Y323 HydrophobicContact CG-CD1 4.4Å; Y294-Y323 HydrophobicContact CG-CD2 4.47Å; Y294-Y323 HydrophobicContact CG-CG 4.27Å; I311-Y323 HydrophobicContact CD1-CD1 3.55Å; I311-Y323 HydrophobicContact CD1-CE1 4.05Å; I311-Y323 HydrophobicContact CD1-CG 4.39Å; I311-Y323 HydrophobicContact CG1-CD1 4.2Å; I311-Y323 PolarHBondContact N-O 3.16Å; I311-Y323 PolarHBondContact O-N 3.35Å; Y323-F325 HydrophobicContact CE1-CB 3.88Å; Y323-Y332 HydrophobicContact CD2-CD2 4.3Å; Y323-Y332 AromaticContact CE2-CD2 3.41Å; Y323-Y332 HydrophobicContact CE2-CD2 3.41Å; Y323-Y332 VanDerWaalsContact CE2-CD2 3.41Å; Y323-Y332 HydrophobicContact CE2-CE2 4.11Å; Y323-Y332 AromaticContact CE2-CG 3.67Å; Y323-Y332 HydrophobicContact CE2-CG 3.67Å; Y323-Y332 AromaticContact CZ-CD2 3.88Å; Y323-Y332 AromaticContact CZ-CG 3.6Å; Y323-Y332 WeakPolarHBondContact OH-CB 3.24Å; Y323-Y332 WeakPolarHBondContact OH-CD1 3.13Å; Y323-Y334 HydrophobicContact CD2-CD1 4.2Å; Y323-Y334 AromaticContact CD2-CE1 3.94Å; Y323-Y334 HydrophobicContact CD2-CE1 3.94Å; Y323-T335 PolarHBondContact N-OG1 3.08Å
324	A	98.5	Very high	96.4	Very high	2 Å²	2	57 Å²	57	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.8	175.2	0	0	0	0	0	109.7	T308 L309 Y310 Y332 E333 T335	T308-A324 HydrophobicContact CG2-CB 4.15Å; L309-A324 CarbonylContact O-C 3.6Å; L309-A324 WeakPolarHBondContact O-CA 3.44Å; Y310-A324 HydrophobicContact CD1-CB 3.81Å; Y310-A324 HydrophobicContact CE1-CB 3.78Å; A324-Y332 CarbonylContact O-C 3.58Å; A324-Y332 WeakPolarHBondContact O-CA 3.38Å; A324-Y332 WeakPolarHBondContact O-CB 3.23Å; A324-E333 HydrophobicContact CB-CG 4.06Å; A324-E333 PolarHBondContact N-O 3.31Å; A324-E333 PolarHBondContact O-N 3.28Å; A324-T335 HydrophobicContact CB-CG2 3.92Å
325	F	98.6	Very high	96.4	Very high	7 Å²	7	56.4 Å²	56.4	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.6	175.5	-176.9	-81.1	0	0	0	110.1	I276 W290 T292 T308 L309 Y323 T327	I276-F325 HydrophobicContact CD1-CD1 3.65Å; I276-F325 HydrophobicContact CD1-CE1 4.21Å; I276-F325 HydrophobicContact CD1-CG 4.33Å; W290-F325 HydrophobicContact CB-CE1 3.77Å; W290-F325 HydrophobicContact CB-CZ 4.08Å; W290-F325 HydrophobicContact CG-CE1 4.14Å; T292-F325 HydrophobicContact CG2-CB 4.23Å; T292-F325 HydrophobicContact CG2-CD1 4.16Å; T292-F325 HydrophobicContact CG2-CD2 3.77Å; T292-F325 HydrophobicContact CG2-CE2 4.16Å; T292-F325 HydrophobicContact CG2-CG 3.79Å; T308-F325 CarbonylContact C-O 3.46Å; T308-F325 VanDerWaalsContact CA-O 3.28Å; T308-F325 WeakPolarHBondContact CA-O 3.23Å; T308-F325 WeakPolarHBondContact CG2-O 3.42Å; L309-F325 HydrophobicContact CB-CB 4.39Å; L309-F325 PolarHBondContact N-O 2.8Å; L309-F325 PolarHBondContact O-N 2.76Å; Y323-F325 HydrophobicContact CE1-CB 3.88Å; F325-T327 HydrophobicContact CD1-CG2 4.44Å; F325-T327 HydrophobicContact CE1-CG2 4.44Å
326	S	97.6	Very high	96.5	Very high	25 Å²	25	60.4 Å²	60.4	18%	0.175	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	116.5	178	160	0	0	0	0	109.9	K328 T329 S330 T331	S326-K328 PolarHBondContact O-N 2.96Å; S326-T329 VanDerWaalsContact CB-OG1 3.25Å; S326-T329 WeakPolarHBondContact CB-OG1 3.41Å; S326-T329 PolarHBondContact O-N 2.84Å; S326-T329 PolarHBondContact OG-N 2.81Å; S326-T329 PolarHBondContact OG-OG1 3.1Å; S326-S330 VanDerWaalsContact O-CA 3.28Å; S326-S330 WeakPolarHBondContact O-CA 3.32Å; S326-S330 PolarHBondContact O-N 2.9Å; S326-T331 PolarHBondContact N-O 2.84Å; S326-T331 PolarHBondContact O-N 2.84Å
327	T	97.4	Very high	96.5	Very high	12 Å²	12	57.4 Å²	57.4	7%	0.074	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.3	175.3	60.9	0	0	0	0	112.4	W262 I276 W290 M304 G307 F325	W262-T327 HydrophobicContact CH2-CG2 4.35Å; W262-T327 HydrophobicContact CZ3-CG2 4.09Å; I276-T327 HydrophobicContact CD1-CG2 4.17Å; I276-T327 HydrophobicContact CG2-CG2 4.26Å; W290-T327 HydrophobicContact CD2-CG2 3.91Å; W290-T327 HydrophobicContact CE3-CG2 4.07Å; W290-T327 HydrophobicContact CG-CG2 4.24Å; W290-T327 HydrophobicContact CZ3-CG2 4.47Å; W290-T327 PolarHBondContact NE1-O 2.82Å; M304-T327 HydrophobicContact CE-CG2 4.19Å; G307-T327 WeakPolarHBondContact O-CB 3.28Å; G307-T327 WeakPolarHBondContact O-CG2 3.5Å; G307-T327 PolarHBondContact O-N 2.82Å; G307-T327 PolarHBondContact O-OG1 2.91Å; F325-T327 HydrophobicContact CD1-CG2 4.44Å; F325-T327 HydrophobicContact CE1-CG2 4.44Å
328	K	93.5	Very high	96.8	Very high	192 Å²	192	57.7 Å²	57.7	84%	0.835	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-40	177.7	-177.3	176.1	-179.8	177.2	0	112.5	S326	S326-K328 PolarHBondContact O-N 2.96Å
329	T	94.8	Very high	97.1	Very high	78 Å²	78	55.5 Å²	55.5	48%	0.479	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-9.9	-177.5	53.4	0	0	0	0	112.8	S326 T331	S326-T329 VanDerWaalsContact CB-OG1 3.25Å; S326-T329 WeakPolarHBondContact CB-OG1 3.41Å; S326-T329 PolarHBondContact O-N 2.84Å; S326-T329 PolarHBondContact OG-N 2.81Å; S326-T329 PolarHBondContact OG-OG1 3.1Å; T329-T331 PolarHBondContact O-N 3.12Å; T329-T331 PolarHBondContact OG1-OG1 2.84Å
330	S	96.9	Very high	97	Very high	74 Å²	74	60.7 Å²	60.7	52%	0.517	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	36.5	-171.7	-59.9	0	0	0	0	112.6	S326	S326-S330 VanDerWaalsContact O-CA 3.28Å; S326-S330 WeakPolarHBondContact O-CA 3.32Å; S326-S330 PolarHBondContact O-N 2.9Å
331	T	96.8	Very high	96.9	Very high	79 Å²	79	58.5 Å²	58.5	49%	0.485	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.9	179.6	59.6	0	0	0	0	110.6	S326 T329	S326-T331 PolarHBondContact N-O 2.84Å; S326-T331 PolarHBondContact O-N 2.84Å; T329-T331 PolarHBondContact O-N 3.12Å; T329-T331 PolarHBondContact OG1-OG1 2.84Å
332	Y	97.7	Very high	96.8	Very high	93 Å²	93	61.9 Å²	61.9	37%	0.365	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	163.3	175.6	65.8	-93.8	0	0	0	112.8	E293 Y323 A324 Y334	E293-Y332 HydrophobicContact CB-CE1 4.35Å; E293-Y332 VanDerWaalsContact CD-CE1 3.49Å; E293-Y332 HydrophobicContact CG-CE1 4.12Å; E293-Y332 WeakPolarHBondContact OE2-CE1 3.14Å; E293-Y332 PolarHBondContact OE2-OH 2.86Å; Y323-Y332 HydrophobicContact CD2-CD2 4.3Å; Y323-Y332 AromaticContact CE2-CD2 3.41Å; Y323-Y332 HydrophobicContact CE2-CD2 3.41Å; Y323-Y332 VanDerWaalsContact CE2-CD2 3.41Å; Y323-Y332 HydrophobicContact CE2-CE2 4.11Å; Y323-Y332 AromaticContact CE2-CG 3.67Å; Y323-Y332 HydrophobicContact CE2-CG 3.67Å; Y323-Y332 AromaticContact CZ-CD2 3.88Å; Y323-Y332 AromaticContact CZ-CG 3.6Å; Y323-Y332 WeakPolarHBondContact OH-CB 3.24Å; Y323-Y332 WeakPolarHBondContact OH-CD1 3.13Å; A324-Y332 CarbonylContact O-C 3.58Å; A324-Y332 WeakPolarHBondContact O-CA 3.38Å; A324-Y332 WeakPolarHBondContact O-CB 3.23Å; Y332-Y334 HydrophobicContact CE2-CE2 4.16Å
333	E	97.1	Very high	96.7	Very high	81 Å²	81	59.7 Å²	59.7	38%	0.379	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.1	169.6	64.4	-173.7	144.6	0	0	110.2	K126 A324 T335	K126-E333 WeakPolarHBondContact CE-OE1 3.39Å; K126-E333 IonicContact NZ-OE1 3.8Å; K126-E333 PolarHBondContact NZ-OE1 2.86Å; K126-E333 IonicContact NZ-OE2 2.68Å; K126-E333 PolarHBondContact NZ-OE2 3.2Å; A324-E333 HydrophobicContact CB-CG 4.06Å; A324-E333 PolarHBondContact N-O 3.31Å; A324-E333 PolarHBondContact O-N 3.28Å; E333-T335 HydrophobicContact CG-CG2 4.1Å
334	Y	97.4	Very high	96.5	Very high	134 Å²	134	66.1 Å²	66.1	53%	0.525	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.8	166.8	-71.7	-84	0	0	0	109.4	Y322 Y323 Y332	Y322-Y334 AromaticContact CD1-CD1 3.89Å; Y322-Y334 HydrophobicContact CD1-CD1 3.89Å; Y322-Y334 HydrophobicContact CD1-CE1 4.14Å; Y322-Y334 AromaticContact CE1-CD1 3.4Å; Y322-Y334 HydrophobicContact CE1-CD1 3.4Å; Y322-Y334 AromaticContact CE1-CE1 3.5Å; Y322-Y334 HydrophobicContact CE1-CE1 3.5Å; Y322-Y334 HydrophobicContact CE2-CD1 4.29Å; Y322-Y334 AromaticContact CZ-CD1 3.62Å; Y322-Y334 CarbonylContact O-C 3.45Å; Y322-Y334 WeakPolarHBondContact O-CA 3.21Å; Y322-Y334 WeakPolarHBondContact O-CD1 3.4Å; Y323-Y334 HydrophobicContact CD2-CD1 4.2Å; Y323-Y334 AromaticContact CD2-CE1 3.94Å; Y323-Y334 HydrophobicContact CD2-CE1 3.94Å; Y332-Y334 HydrophobicContact CE2-CE2 4.16Å
335	T	96.6	Very high	96.4	Very high	19 Å²	19	66.5 Å²	66.5	12%	0.117	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	167.9	-178.3	56.9	0	0	0	0	110.5	V321 Y322 Y323 A324 E333	V321-T335 CarbonylContact O-C 3.59Å; V321-T335 PolarHBondContact O-OG1 3.43Å; Y322-T335 VanDerWaalsContact C-OG1 3.25Å; Y322-T335 WeakPolarHBondContact CA-O 3.49Å; Y322-T335 WeakPolarHBondContact CD2-O 3.27Å; Y322-T335 PolarHBondContact N-OG1 3.41Å; Y322-T335 PolarHBondContact O-N 2.81Å; Y323-T335 PolarHBondContact N-OG1 3.08Å; A324-T335 HydrophobicContact CB-CG2 3.92Å; E333-T335 HydrophobicContact CG-CG2 4.1Å
336	D	96.9	Very high	96.4	Very high	108 Å²	108	66.3 Å²	66.3	58%	0.578	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	66.5	175.3	-162.1	0.7	0	0	0	109.8	K320 P338	K320-D336 WeakPolarHBondContact CD-OD1 3.28Å; K320-D336 WeakPolarHBondContact CE-OD1 3.48Å; K320-D336 IonicContact NZ-OD1 3.26Å; K320-D336 PolarHBondContact NZ-OD1 2.91Å; K320-D336 IonicContact NZ-OD2 3.65Å; K320-D336 PolarHBondContact NZ-OD2 2.92Å; D336-P338 VanDerWaalsContact O-CD 3.31Å; D336-P338 WeakPolarHBondContact O-CD 3.39Å
337	I	97.8	Very high	96.4	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.082	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	100.7	-178.5	-50.8	172.4	0	0	0	108.2	L127 I130 K320 V321	L127-I337 HydrophobicContact CB-CD1 4.29Å; L127-I337 HydrophobicContact CD2-CD1 4.02Å; L127-I337 HydrophobicContact CG-CD1 3.89Å; L127-I337 VanDerWaalsContact O-CD1 3.23Å; L127-I337 WeakPolarHBondContact O-CD1 3.42Å; I130-I337 HydrophobicContact CG1-CG2 4.21Å; K320-I337 WeakPolarHBondContact CA-O 3.43Å; K320-I337 WeakPolarHBondContact CB-O 3.37Å; V321-I337 HydrophobicContact CB-CB 4.07Å; V321-I337 HydrophobicContact CG2-CB 4.45Å; V321-I337 PolarHBondContact N-O 2.87Å; V321-I337 PolarHBondContact O-N 3.41Å; V321-I337 VanDerWaalsContact O-N 3.07Å
338	P	97	Very high	96.4	Very high	90 Å²	90	64.6 Å²	64.6	58%	0.584	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	149.9	-179.8	30.6	-35.3	0	0	0	111.1	D336	D336-P338 VanDerWaalsContact O-CD 3.31Å; D336-P338 WeakPolarHBondContact O-CD 3.39Å
339	F	96.4	Very high	96.6	Very high	17 Å²	17	55.5 Å²	55.5	8%	0.075	28%	0.279	C	S	.	.			trans	-140.5	153.1	165.6	67.7	-82.5	0	0	0	109.5	I130 T312 A319 N341 M346 L349 F369	I130-F339 HydrophobicContact CB-CB 3.92Å; I130-F339 HydrophobicContact CD1-CB 4.14Å; I130-F339 HydrophobicContact CD1-CD1 4.28Å; I130-F339 HydrophobicContact CD1-CG 4.42Å; I130-F339 HydrophobicContact CG2-CB 3.69Å; T312-F339 HydrophobicContact CG2-CE1 3.57Å; T312-F339 HydrophobicContact CG2-CZ 3.87Å; A319-F339 HydrophobicContact CB-CE1 3.85Å; A319-F339 HydrophobicContact CB-CE2 4.3Å; A319-F339 HydrophobicContact CB-CZ 3.52Å; F339-N341 PolarHBondContact O-N 3.31Å; F339-M346 HydrophobicContact CE2-CE 4.33Å; F339-L349 HydrophobicContact CZ-CD2 4.39Å; F339-F369 HydrophobicContact CD2-CE1 4.07Å; F339-F369 HydrophobicContact CD2-CZ 4.16Å
340	H	94.4	Very high	96.7	Very high	110 Å²	110	52.4 Å²	52.4	51%	0.509	26%	0.26	S	S	.	.			trans	-88.9	106.6	-175.9	-173.3	57.8	0	0	0	111.1	P133 Q342 F369	P133-H340 VanDerWaalsContact CD-O 3.3Å; P133-H340 WeakPolarHBondContact CD-O 3.39Å; H340-Q342 PolarHBondContact O-N 3.35Å; H340-Q342 VanDerWaalsContact O-N 3.14Å; H340-F369 WeakPolarHBondContact O-CE1 3.41Å
341	N	95	Very high	96.8	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	24%	0.238	C	C	.	.			trans	-79.9	86.3	169.3	-176.5	-11.7	0	0	0	109.6	H315 L316 F339 Y343 F344 H345 N362	H315-N341 PolarHBondContact O-ND2 3.03Å; L316-N341 PolarHBondContact O-ND2 3.3Å; F339-N341 PolarHBondContact O-N 3.31Å; N341-Y343 PolarHBondContact O-N 3.1Å; N341-F344 PolarHBondContact OD1-N 3.49Å; N341-H345 PolarHBondContact OD1-N 2.85Å; N341-N362 PolarHBondContact OD1-ND2 3.24Å; N341-N362 PolarHBondContact OD1-OD1 2.93Å
342	Q	95.4	Very high	96.7	Very high	71 Å²	71	46 Å²	46	33%	0.332	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-34.8	-171.1	179.4	171.1	-34.1	0	0	113.5	P133 H340 N362	P133-Q342 HydrophobicContact CG-CB 3.53Å; H340-Q342 PolarHBondContact O-N 3.35Å; H340-Q342 VanDerWaalsContact O-N 3.14Å; Q342-N362 PolarHBondContact N-OD1 2.79Å
343	Y	96.6	Very high	96.4	Very high	42 Å²	42	41.7 Å²	41.7	17%	0.165	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	28.4	-174.5	-52.6	-78.2	0	0	0	113.1	T135 N341 H345 N362 N363 H365 V367	T135-Y343 HydrophobicContact CG2-CE2 4.46Å; T135-Y343 WeakPolarHBondContact OG1-CE2 3.27Å; T135-Y343 PolarHBondContact OG1-OH 2.93Å; N341-Y343 PolarHBondContact O-N 3.1Å; Y343-H345 PolarHBondContact O-N 2.65Å; Y343-N362 WeakPolarHBondContact CB-O 3.27Å; Y343-N362 WeakPolarHBondContact CB-OD1 3.48Å; Y343-N362 HydrophobicContact CD2-CB 4.06Å; Y343-N362 WeakPolarHBondContact CD2-OD1 3.29Å; Y343-N362 PolarHBondContact N-OD1 3Å; Y343-N363 VanDerWaalsContact O-CB 3.26Å; Y343-N363 WeakPolarHBondContact O-CB 3.41Å; Y343-H365 AromaticContact CD1-CD2 3.3Å; Y343-H365 WeakPolarHBondContact CD1-CD2 3.44Å; Y343-H365 AromaticContact CD1-CE1 3.99Å; Y343-H365 AromaticContact CD1-CG 3.88Å; Y343-H365 AromaticContact CD1-NE2 3.39Å; Y343-H365 WeakPolarHBondContact CD1-NE2 3.23Å; Y343-H365 HydrophobicContact CD2-CB 3.61Å; Y343-H365 AromaticContact CD2-CD2 3.68Å; Y343-H365 AromaticContact CD2-CG 3.68Å; Y343-H365 AromaticContact CE1-CD2 3.64Å; Y343-H365 AromaticContact CE1-CE1 3.64Å; Y343-H365 AromaticContact CE1-CG 3.81Å; Y343-H365 AromaticContact CE1-ND1 3.82Å; Y343-H365 AromaticContact CE1-NE2 3.55Å; Y343-H365 HydrophobicContact CE2-CB 3.54Å; Y343-H365 AromaticContact CE2-CD2 4Å; Y343-H365 AromaticContact CE2-CG 3.61Å; Y343-H365 HydrophobicContact CG-CB 4.19Å; Y343-H365 AromaticContact CG-CD2 3.3Å; Y343-H365 AromaticContact CG-CG 3.81Å; Y343-H365 AromaticContact CG-NE2 3.92Å; Y343-H365 AromaticContact CZ-CD2 3.96Å; Y343-H365 AromaticContact CZ-CG 3.65Å; Y343-H365 AromaticContact CZ-ND1 3.71Å; Y343-V367 HydrophobicContact CD2-CG1 4.19Å; Y343-V367 HydrophobicContact CE2-CG1 3.87Å
344	F	94.4	Very high	96.1	Very high	135 Å²	135	39.2 Å²	39.2	59%	0.592	19%	0.187	S	C	*	.	S	Bend	trans	65.2	-16.7	167	-47.7	-82.9	0	0	0	117.4	L316 T317 N341	L316-F344 WeakPolarHBondContact CA-O 3.13Å; L316-F344 WeakPolarHBondContact CD2-O 3.36Å; T317-F344 VanDerWaalsContact OG1-CD1 3.26Å; T317-F344 WeakPolarHBondContact OG1-CD1 3.1Å; N341-F344 PolarHBondContact OD1-N 3.49Å
345	H	97.1	Very high	95.7	Very high	11 Å²	11	36 Å²	36	5%	0.051	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-146.2	107.8	-175.9	-174.1	-70.8	0	0	0	111.8	R142 F143 H315 N341 Y343 N362 N363	R142-H345 PolarHBondContact NH2-CD2 3.36Å; F143-H345 AromaticContact CD1-CE1 3.96Å; F143-H345 AromaticContact CE1-CE1 3.44Å; F143-H345 VanDerWaalsContact CE1-CE1 3.44Å; F143-H345 WeakPolarHBondContact CE1-CE1 3.33Å; F143-H345 AromaticContact CE1-NE2 3.97Å; H315-H345 AromaticContact CD2-CD2 3.46Å; H315-H345 PolarHBondContact CD2-CD2 2.89Å; H315-H345 VanDerWaalsContact CD2-CD2 3.46Å; H315-H345 AromaticContact CD2-NE2 3.43Å; H315-H345 PolarHBondContact CD2-NE2 3.12Å; H315-H345 AromaticContact NE2-CD2 3.84Å; H315-H345 AromaticContact NE2-NE2 3.75Å; H315-H345 WeakPolarHBondContact O-CA 3.42Å; N341-H345 PolarHBondContact OD1-N 2.85Å; Y343-H345 PolarHBondContact O-N 2.65Å; H345-N362 PolarHBondContact N-ND2 3.27Å; H345-N362 CarbonylContact O-C 3.56Å; H345-N362 WeakPolarHBondContact O-CA 3.5Å; H345-N362 PolarHBondContact O-ND2 2.99Å; H345-N363 HydrophobicContact CB-CB 4.28Å; H345-N363 PolarHBondContact O-N 3.42Å
346	M	97.5	Very high	95.5	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.7	174.9	-163.1	63	69.6	0	0	109.6	E301 H315 F339 M348 L349 N362 V367 F369	E301-M346 HydrophobicContact CG-CG 4.37Å; H315-M346 WeakPolarHBondContact CB-O 3.28Å; H315-M346 PolarHBondContact O-N 3.35Å; F339-M346 HydrophobicContact CE2-CE 4.33Å; M346-M348 WeakPolarHBondContact CG-O 3.5Å; M346-L349 HydrophobicContact CG-CB 4.35Å; M346-N362 HydrophobicContact CE-CB 3.97Å; M346-N362 HydrophobicContact SD-CB 3.96Å; M346-V367 HydrophobicContact CE-CG2 4.49Å; M346-F369 HydrophobicContact CE-CE2 3.85Å; M346-F369 HydrophobicContact CE-CZ 3.8Å
347	S	96.9	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	3.6	176.1	66.3	0	0	0	0	113.6	T198 W246 W361	T198-S347 VanDerWaalsContact CB-O 3.25Å; T198-S347 WeakPolarHBondContact CB-O 3.4Å; T198-S347 PolarHBondContact OG1-O 2.89Å; W246-S347 WeakPolarHBondContact CZ2-O 3.48Å; S347-W361 PolarHBondContact N-O 3.49Å; S347-W361 PolarHBondContact OG-O 2.89Å
348	M	97.8	Very high	95.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	136.3	177.1	177.3	-130	167	0	0	105.9	A145 W146 M147 M346 D350 G360 W361	A145-M348 HydrophobicContact CB-CG 4.37Å; A145-M348 HydrophobicContact CB-SD 4.27Å; W146-M348 VanDerWaalsContact O-CE 3.28Å; W146-M348 WeakPolarHBondContact O-CE 3.42Å; M147-M348 HydrophobicContact CE-CE 4.26Å; M346-M348 WeakPolarHBondContact CG-O 3.5Å; M348-D350 HydrophobicContact CE-CB 3.64Å; M348-D350 WeakPolarHBondContact CE-OD2 3.46Å; M348-G360 VanDerWaalsContact O-CA 3.24Å; M348-G360 WeakPolarHBondContact O-CA 3.49Å; M348-W361 HydrophobicContact CB-CB 3.78Å; M348-W361 PolarHBondContact O-N 3.22Å; M348-W361 VanDerWaalsContact O-N 3.08Å; M348-W361 HydrophobicContact SD-CB 4.43Å
349	L	98.1	Very high	95.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	89.7	173.1	-172.7	68.7	0	0	0	109.5	E301 F303 T312 F339 M346 L358 Y359 F369	E301-L349 HydrophobicContact CB-CB 3.96Å; E301-L349 HydrophobicContact CG-CB 4.11Å; F303-L349 HydrophobicContact CD1-CD2 3.81Å; F303-L349 HydrophobicContact CD1-CG 4.05Å; F303-L349 HydrophobicContact CE1-CD2 3.73Å; F303-L349 HydrophobicContact CE1-CG 4.37Å; T312-L349 HydrophobicContact CG2-CD2 4.05Å; F339-L349 HydrophobicContact CZ-CD2 4.39Å; M346-L349 HydrophobicContact CG-CB 4.35Å; L349-L358 HydrophobicContact CD1-CB 3.79Å; L349-L358 HydrophobicContact CD1-CD1 4.18Å; L349-L358 HydrophobicContact CD2-CD1 4.4Å; L349-L358 HydrophobicContact CG-CB 4.38Å; L349-L358 HydrophobicContact CG-CD1 4.32Å; L349-Y359 CarbonylContact C-O 3.46Å; L349-Y359 VanDerWaalsContact CA-O 3.29Å; L349-Y359 WeakPolarHBondContact CA-O 3.33Å; L349-F369 HydrophobicContact CD1-CD2 4Å; L349-F369 HydrophobicContact CD1-CE2 3.98Å
350	D	97.2	Very high	95.5	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.07	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.4	-178.1	-73.8	-47.1	0	0	0	113	M348 L358 Y359	M348-D350 HydrophobicContact CE-CB 3.64Å; M348-D350 WeakPolarHBondContact CE-OD2 3.46Å; D350-L358 CarbonylContact O-C 3.45Å; D350-L358 VanDerWaalsContact O-CA 3.23Å; D350-L358 WeakPolarHBondContact O-CA 3.34Å; D350-Y359 PolarHBondContact N-O 3.5Å; D350-Y359 PolarHBondContact O-N 2.81Å
351	Y	98	Very high	95.7	Very high	12 Å²	12	24.2 Å²	24.2	5%	0.047	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.2	173.7	178.1	-115.1	0	0	0	111.9	D257 E258 M304 I305 A353 L358 V371	D257-Y351 HydrophobicContact CB-CD1 4.37Å; E258-Y351 VanDerWaalsContact OE1-CE1 3.23Å; E258-Y351 WeakPolarHBondContact OE1-CE1 3.41Å; E258-Y351 PolarHBondContact OE1-OH 2.86Å; M304-Y351 WeakPolarHBondContact O-CB 3.33Å; M304-Y351 WeakPolarHBondContact O-CD1 3.47Å; I305-Y351 HydrophobicContact CB-CD1 4.45Å; I305-Y351 HydrophobicContact CB-CE1 4.33Å; I305-Y351 HydrophobicContact CD1-CD2 3.95Å; I305-Y351 HydrophobicContact CD1-CE2 4.08Å; I305-Y351 HydrophobicContact CD1-CG 4.32Å; I305-Y351 HydrophobicContact CG1-CD1 3.82Å; I305-Y351 HydrophobicContact CG1-CD2 3.81Å; I305-Y351 HydrophobicContact CG1-CE1 4.02Å; I305-Y351 HydrophobicContact CG1-CE2 4.03Å; I305-Y351 HydrophobicContact CG1-CG 3.68Å; I305-Y351 HydrophobicContact CG2-CE1 4.08Å; Y351-A353 HydrophobicContact CD1-CB 4.37Å; Y351-A353 VanDerWaalsContact CE1-CA 3.43Å; Y351-A353 HydrophobicContact CE1-CB 3.71Å; Y351-L358 HydrophobicContact CD2-CD2 4.06Å; Y351-L358 HydrophobicContact CG-CD2 4.4Å; Y351-V371 HydrophobicContact CD2-CG2 4.46Å; Y351-V371 HydrophobicContact CE2-CG2 3.81Å
352	N	95.6	Very high	95.9	Very high	6 Å²	6	24 Å²	24	3%	0.032	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.4	166.8	-172.4	-54.9	0	0	0	109.5	T148 R354 D355 R356 A357 Y359	T148-N352 PolarHBondContact O-ND2 3.25Å; T148-N352 VanDerWaalsContact O-ND2 3.11Å; T148-N352 PolarHBondContact OG1-ND2 2.94Å; N352-R354 VanDerWaalsContact C-N 3.28Å; N352-R354 PolarHBondContact O-N 3.49Å; N352-R354 VanDerWaalsContact OD1-CB 3.31Å; N352-R354 WeakPolarHBondContact OD1-CB 3.25Å; N352-R354 PolarHBondContact OD1-N 2.84Å; N352-D355 HydrophobicContact CB-CB 4.42Å; N352-D355 PolarHBondContact O-N 2.66Å; N352-D355 PolarHBondContact OD1-N 3.34Å; N352-D355 VanDerWaalsContact OD1-N 3.17Å; N352-R356 WeakPolarHBondContact O-CA 3.48Å; N352-R356 PolarHBondContact O-N 3.29Å; N352-A357 PolarHBondContact N-O 3.4Å; N352-A357 PolarHBondContact O-N 2.93Å; N352-Y359 HydrophobicContact CB-CD2 3.81Å; N352-Y359 HydrophobicContact CB-CE2 3.52Å
353	A	92	Very high	96	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.5	-177.4	0	0	0	0	0	114.4	E258 Y351	E258-A353 HydrophobicContact CG-CB 4.03Å; Y351-A353 HydrophobicContact CD1-CB 4.37Å; Y351-A353 VanDerWaalsContact CE1-CA 3.43Å; Y351-A353 HydrophobicContact CE1-CB 3.71Å
354	R	89.3	Confident	96	Very high	29 Å²	29	22 Å²	22	11%	0.109	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-46.1	177.8	-178.1	-175.1	67.9	-172.8	-5.9	111	T148 D149 P150 A152 N352	T148-R354 PolarHBondContact OG1-NH2 3.32Å; D149-R354 VanDerWaalsContact O-CZ 3.32Å; D149-R354 PolarHBondContact O-NH1 3.47Å; D149-R354 VanDerWaalsContact O-NH1 3.09Å; P150-R354 HydrophobicContact CB-CB 4.22Å; P150-R354 WeakPolarHBondContact O-CB 3.46Å; A152-R354 PolarHBondContact O-NH1 3.05Å; N352-R354 VanDerWaalsContact C-N 3.28Å; N352-R354 PolarHBondContact O-N 3.49Å; N352-R354 VanDerWaalsContact OD1-CB 3.31Å; N352-R354 WeakPolarHBondContact OD1-CB 3.25Å; N352-R354 PolarHBondContact OD1-N 2.84Å
355	D	90.2	Very high	96.2	Very high	66 Å²	66	17.2 Å²	17.2	35%	0.353	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-14	-174.7	-55.4	-15.6	0	0	0	112.1	T148 N352 A357 Y359	T148-D355 PolarHBondContact OG1-OD2 3.43Å; N352-D355 HydrophobicContact CB-CB 4.42Å; N352-D355 PolarHBondContact O-N 2.66Å; N352-D355 PolarHBondContact OD1-N 3.34Å; N352-D355 VanDerWaalsContact OD1-N 3.17Å; D355-A357 HydrophobicContact CB-CB 4.31Å; D355-A357 PolarHBondContact O-N 2.94Å; D355-Y359 PolarHBondContact OD2-OH 2.89Å
356	R	91.1	Very high	96.3	Very high	101 Å²	101	16.7 Å²	16.7	38%	0.381	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	50.5	-169.6	-58	-165.4	-168.2	148.7	18.6	112	T123 N352 V371	T123-R356 VanDerWaalsContact CB-CZ 3.47Å; T123-R356 PolarHBondContact OG1-NH2 3.01Å; N352-R356 WeakPolarHBondContact O-CA 3.48Å; N352-R356 PolarHBondContact O-N 3.29Å; R356-V371 HydrophobicContact CB-CG2 4.25Å; R356-V371 VanDerWaalsContact O-CG2 3.25Å; R356-V371 WeakPolarHBondContact O-CG2 3.28Å; R356-V371 PolarHBondContact O-N 3.1Å
357	A	95.3	Very high	96.3	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.033	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150	-179.7	0	0	0	0	0	110.2	N352 D355 L368 F369	N352-A357 PolarHBondContact N-O 3.4Å; N352-A357 PolarHBondContact O-N 2.93Å; D355-A357 HydrophobicContact CB-CB 4.31Å; D355-A357 PolarHBondContact O-N 2.94Å; A357-L368 HydrophobicContact CB-CD2 4.42Å; A357-F369 CarbonylContact C-O 3.48Å; A357-F369 WeakPolarHBondContact CA-O 3.5Å; A357-F369 WeakPolarHBondContact CB-O 3.43Å
358	L	98.3	Very high	96.4	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.8	167	-54.4	171.7	0	0	0	108.8	I130 F303 L349 D350 Y351 L368 F369 V371	I130-L358 HydrophobicContact CD1-CD1 3.82Å; I130-L358 HydrophobicContact CG1-CD1 4.3Å; I130-L358 HydrophobicContact CG2-CD1 4.36Å; F303-L358 HydrophobicContact CB-CD2 4.29Å; F303-L358 HydrophobicContact CD1-CD1 4.33Å; F303-L358 HydrophobicContact CD1-CD2 4.05Å; F303-L358 HydrophobicContact CD2-CD2 3.57Å; F303-L358 HydrophobicContact CE1-CD1 3.84Å; F303-L358 HydrophobicContact CE1-CD2 4.29Å; F303-L358 HydrophobicContact CE2-CD1 4.17Å; F303-L358 HydrophobicContact CE2-CD2 3.82Å; F303-L358 HydrophobicContact CG-CD2 3.7Å; F303-L358 HydrophobicContact CZ-CD1 3.76Å; F303-L358 HydrophobicContact CZ-CD2 4.18Å; L349-L358 HydrophobicContact CD1-CB 3.79Å; L349-L358 HydrophobicContact CD1-CD1 4.18Å; L349-L358 HydrophobicContact CD2-CD1 4.4Å; L349-L358 HydrophobicContact CG-CB 4.38Å; L349-L358 HydrophobicContact CG-CD1 4.32Å; D350-L358 CarbonylContact O-C 3.45Å; D350-L358 VanDerWaalsContact O-CA 3.23Å; D350-L358 WeakPolarHBondContact O-CA 3.34Å; Y351-L358 HydrophobicContact CD2-CD2 4.06Å; Y351-L358 HydrophobicContact CG-CD2 4.4Å; L358-L368 CarbonylContact O-C 3.59Å; L358-L368 WeakPolarHBondContact O-CA 3.08Å; L358-F369 HydrophobicContact CB-CB 4.17Å; L358-F369 HydrophobicContact CB-CD2 4.28Å; L358-F369 PolarHBondContact N-O 3.4Å; L358-F369 PolarHBondContact O-N 3.47Å; L358-V371 HydrophobicContact CD1-CG1 4.05Å; L358-V371 HydrophobicContact CD2-CG1 4.33Å; L358-V371 HydrophobicContact CG-CG1 3.76Å
359	Y	98.3	Very high	96.4	Very high	7 Å²	7	17.9 Å²	17.9	3%	0.027	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.8	170.5	-77.6	-114	0	0	0	108.3	W146 T148 L349 D350 N352 D355 L368	W146-Y359 AromaticContact CD2-CD1 3.88Å; W146-Y359 HydrophobicContact CD2-CD1 3.88Å; W146-Y359 HydrophobicContact CD2-CE1 4.46Å; W146-Y359 AromaticContact CE2-CD1 3.68Å; W146-Y359 AromaticContact CE3-CD1 3.91Å; W146-Y359 HydrophobicContact CE3-CD1 3.91Å; W146-Y359 HydrophobicContact CE3-CE1 4.02Å; W146-Y359 AromaticContact CH2-CD1 3.56Å; W146-Y359 HydrophobicContact CH2-CD1 3.56Å; W146-Y359 AromaticContact CH2-CE1 3.59Å; W146-Y359 HydrophobicContact CH2-CE1 3.59Å; W146-Y359 AromaticContact CZ2-CD1 3.54Å; W146-Y359 HydrophobicContact CZ2-CD1 3.54Å; W146-Y359 HydrophobicContact CZ2-CE1 4.08Å; W146-Y359 HydrophobicContact CZ2-CG 4.27Å; W146-Y359 AromaticContact CZ3-CD1 3.76Å; W146-Y359 HydrophobicContact CZ3-CD1 3.76Å; W146-Y359 AromaticContact CZ3-CE1 3.57Å; W146-Y359 HydrophobicContact CZ3-CE1 3.57Å; T148-Y359 HydrophobicContact CG2-CE1 4.05Å; T148-Y359 WeakPolarHBondContact CG2-OH 3.26Å; T148-Y359 PolarHBondContact OG1-OH 3.2Å; T148-Y359 VanDerWaalsContact OG1-OH 3.06Å; L349-Y359 CarbonylContact C-O 3.46Å; L349-Y359 VanDerWaalsContact CA-O 3.29Å; L349-Y359 WeakPolarHBondContact CA-O 3.33Å; D350-Y359 PolarHBondContact N-O 3.5Å; D350-Y359 PolarHBondContact O-N 2.81Å; N352-Y359 HydrophobicContact CB-CD2 3.81Å; N352-Y359 HydrophobicContact CB-CE2 3.52Å; D355-Y359 PolarHBondContact OD2-OH 2.89Å; Y359-L368 HydrophobicContact CD1-CD2 3.8Å; Y359-L368 HydrophobicContact CD2-CD2 3.64Å; Y359-L368 HydrophobicContact CE1-CD2 3.82Å; Y359-L368 HydrophobicContact CE2-CD2 3.65Å; Y359-L368 HydrophobicContact CG-CD2 3.7Å
360	G	97.9	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.2	-178.8	0	0	0	0	0	112.9	W146 M348 V367	W146-G360 PolarHBondContact NE1-O 3.03Å; M348-G360 VanDerWaalsContact O-CA 3.24Å; M348-G360 WeakPolarHBondContact O-CA 3.49Å; G360-V367 PolarHBondContact N-O 3.47Å; G360-V367 WeakPolarHBondContact O-CG2 3.4Å; G360-V367 PolarHBondContact O-N 2.82Å
361	W	98.5	Very high	96.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	109	162.7	-168.4	-73	0	0	0	109.4	T141 R142 F143 G144 Y161 S347 M348 Q366	T141-W361 WeakPolarHBondContact O-CZ2 2.95Å; T141-W361 PolarHBondContact O-NE1 2.83Å; R142-W361 VanDerWaalsContact O-CD1 3.31Å; R142-W361 PolarHBondContact O-NE1 3.38Å; R142-W361 VanDerWaalsContact O-NE1 3.14Å; F143-W361 VanDerWaalsContact C-CE2 3.49Å; G144-W361 VanDerWaalsContact C-CD2 3.45Å; G144-W361 WeakPolarHBondContact O-CB 3.47Å; Y161-W361 HydrophobicContact CD2-CH2 4.26Å; Y161-W361 AromaticContact CD2-CZ3 3.84Å; Y161-W361 HydrophobicContact CD2-CZ3 3.84Å; Y161-W361 HydrophobicContact CE1-CH2 4.44Å; Y161-W361 AromaticContact CE2-CH2 3.36Å; Y161-W361 HydrophobicContact CE2-CH2 3.36Å; Y161-W361 AromaticContact CE2-CZ3 3.35Å; Y161-W361 HydrophobicContact CE2-CZ3 3.35Å; Y161-W361 AromaticContact CZ-CH2 3.47Å; Y161-W361 VanDerWaalsContact CZ-CH2 3.47Å; Y161-W361 AromaticContact CZ-CZ3 3.92Å; Y161-W361 WeakPolarHBondContact OH-CH2 3.17Å; S347-W361 PolarHBondContact N-O 3.49Å; S347-W361 PolarHBondContact OG-O 2.89Å; M348-W361 HydrophobicContact CB-CB 3.78Å; M348-W361 PolarHBondContact O-N 3.22Å; M348-W361 VanDerWaalsContact O-N 3.08Å; M348-W361 HydrophobicContact SD-CB 4.43Å; W361-Q366 HydrophobicContact CE3-CG 4.01Å; W361-Q366 VanDerWaalsContact CH2-NE2 3.28Å; W361-Q366 HydrophobicContact CZ3-CG 4.19Å
362	N	97.8	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	90	-171.8	-165.4	-161.9	0	0	0	109.9	N341 Q342 Y343 H345 M346 G364 H365 V367	N341-N362 PolarHBondContact OD1-ND2 3.24Å; N341-N362 PolarHBondContact OD1-OD1 2.93Å; Q342-N362 PolarHBondContact N-OD1 2.79Å; Y343-N362 WeakPolarHBondContact CB-O 3.27Å; Y343-N362 WeakPolarHBondContact CB-OD1 3.48Å; Y343-N362 HydrophobicContact CD2-CB 4.06Å; Y343-N362 WeakPolarHBondContact CD2-OD1 3.29Å; Y343-N362 PolarHBondContact N-OD1 3Å; H345-N362 PolarHBondContact N-ND2 3.27Å; H345-N362 CarbonylContact O-C 3.56Å; H345-N362 WeakPolarHBondContact O-CA 3.5Å; H345-N362 PolarHBondContact O-ND2 2.99Å; M346-N362 HydrophobicContact CE-CB 3.97Å; M346-N362 HydrophobicContact SD-CB 3.96Å; N362-G364 PolarHBondContact O-N 2.61Å; N362-H365 PolarHBondContact N-O 3.08Å; N362-H365 WeakPolarHBondContact O-CB 3.39Å; N362-H365 PolarHBondContact O-CD2 3.5Å; N362-H365 VanDerWaalsContact O-CD2 3.28Å; N362-H365 PolarHBondContact O-N 2.93Å; N362-V367 HydrophobicContact CB-CG1 4.37Å; N362-V367 HydrophobicContact CB-CG2 3.95Å
363	N	97.6	Very high	95.6	Very high	63 Å²	63	26.5 Å²	26.5	34%	0.337	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	46.1	176.7	-165.4	35.6	0	0	0	114.8	R142 Y343 H345	R142-N363 WeakPolarHBondContact CD-OD1 3.43Å; R142-N363 VanDerWaalsContact CG-OD1 3.25Å; R142-N363 WeakPolarHBondContact CG-OD1 3.33Å; R142-N363 WeakPolarHBondContact O-CA 3.45Å; Y343-N363 VanDerWaalsContact O-CB 3.26Å; Y343-N363 WeakPolarHBondContact O-CB 3.41Å; H345-N363 HydrophobicContact CB-CB 4.28Å; H345-N363 PolarHBondContact O-N 3.42Å
364	G	97.9	Very high	95.1	Very high	7 Å²	7	31.7 Å²	31.7	7%	0.072	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	6.7	-177.4	0	0	0	0	0	114.7	S139 T141 R142 N362	S139-G364 PolarHBondContact N-O 3.05Å; T141-G364 WeakPolarHBondContact O-CA 3.3Å; R142-G364 PolarHBondContact O-N 3.25Å; N362-G364 PolarHBondContact O-N 2.61Å
365	H	98.6	Very high	94.1	Very high	35 Å²	35	32.7 Å²	32.7	16%	0.162	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.6	172.6	-55.8	-87.3	0	0	0	110.6	T135 K137 T138 Y343 N362 V367	T135-H365 HydrophobicContact CG2-CB 4.46Å; K137-H365 WeakPolarHBondContact O-CA 3.38Å; T138-H365 WeakPolarHBondContact CG2-CE1 3.37Å; T138-H365 WeakPolarHBondContact CG2-ND1 3.41Å; T138-H365 PolarHBondContact OG1-CE1 3.13Å; T138-H365 PolarHBondContact OG1-ND1 2.79Å; Y343-H365 AromaticContact CD1-CD2 3.3Å; Y343-H365 WeakPolarHBondContact CD1-CD2 3.44Å; Y343-H365 AromaticContact CD1-CE1 3.99Å; Y343-H365 AromaticContact CD1-CG 3.88Å; Y343-H365 AromaticContact CD1-NE2 3.39Å; Y343-H365 WeakPolarHBondContact CD1-NE2 3.23Å; Y343-H365 HydrophobicContact CD2-CB 3.61Å; Y343-H365 AromaticContact CD2-CD2 3.68Å; Y343-H365 AromaticContact CD2-CG 3.68Å; Y343-H365 AromaticContact CE1-CD2 3.64Å; Y343-H365 AromaticContact CE1-CE1 3.64Å; Y343-H365 AromaticContact CE1-CG 3.81Å; Y343-H365 AromaticContact CE1-ND1 3.82Å; Y343-H365 AromaticContact CE1-NE2 3.55Å; Y343-H365 HydrophobicContact CE2-CB 3.54Å; Y343-H365 AromaticContact CE2-CD2 4Å; Y343-H365 AromaticContact CE2-CG 3.61Å; Y343-H365 HydrophobicContact CG-CB 4.19Å; Y343-H365 AromaticContact CG-CD2 3.3Å; Y343-H365 AromaticContact CG-CG 3.81Å; Y343-H365 AromaticContact CG-NE2 3.92Å; Y343-H365 AromaticContact CZ-CD2 3.96Å; Y343-H365 AromaticContact CZ-CG 3.65Å; Y343-H365 AromaticContact CZ-ND1 3.71Å; N362-H365 PolarHBondContact N-O 3.08Å; N362-H365 WeakPolarHBondContact O-CB 3.39Å; N362-H365 PolarHBondContact O-CD2 3.5Å; N362-H365 VanDerWaalsContact O-CD2 3.28Å; N362-H365 PolarHBondContact O-N 2.93Å; H365-V367 HydrophobicContact CB-CG1 4.22Å
366	Q	98.4	Very high	92.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.3	172.5	-69	81.5	46.5	0	0	108.4	V136 K137 S139 W146 F180 W361	V136-Q366 PolarHBondContact N-O 2.79Å; K137-Q366 HydrophobicContact CB-CB 4.36Å; K137-Q366 PolarHBondContact N-O 3.06Å; K137-Q366 PolarHBondContact O-N 3Å; K137-Q366 PolarHBondContact O-OE1 2.92Å; S139-Q366 PolarHBondContact O-NE2 3.39Å; S139-Q366 PolarHBondContact OG-OE1 2.75Å; W146-Q366 HydrophobicContact CB-CG 4.2Å; W146-Q366 HydrophobicContact CD2-CB 3.77Å; W146-Q366 HydrophobicContact CD2-CG 3.88Å; W146-Q366 HydrophobicContact CE3-CB 4.39Å; W146-Q366 HydrophobicContact CG-CB 4.01Å; W146-Q366 HydrophobicContact CG-CG 3.59Å; W146-Q366 HydrophobicContact CZ2-CB 4.03Å; F180-Q366 HydrophobicContact CE1-CB 4.12Å; F180-Q366 HydrophobicContact CE1-CG 4.24Å; F180-Q366 HydrophobicContact CZ-CB 4.23Å; F180-Q366 HydrophobicContact CZ-CG 3.84Å; W361-Q366 HydrophobicContact CE3-CG 4.01Å; W361-Q366 VanDerWaalsContact CH2-NE2 3.28Å; W361-Q366 HydrophobicContact CZ3-CG 4.19Å
367	V	98.2	Very high	90.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.3	-170.9	-63.5	0	0	0	0	111.9	P133 Q134 W146 Y343 M346 G360 N362 H365 F369	P133-V367 HydrophobicContact CB-CB 3.86Å; P133-V367 HydrophobicContact CB-CG1 4.11Å; P133-V367 HydrophobicContact CB-CG2 4.37Å; Q134-V367 CarbonylContact O-C 3.44Å; Q134-V367 VanDerWaalsContact O-CA 3.24Å; Q134-V367 WeakPolarHBondContact O-CA 3.29Å; W146-V367 WeakPolarHBondContact CZ2-O 3.44Å; Y343-V367 HydrophobicContact CD2-CG1 4.19Å; Y343-V367 HydrophobicContact CE2-CG1 3.87Å; M346-V367 HydrophobicContact CE-CG2 4.49Å; G360-V367 PolarHBondContact N-O 3.47Å; G360-V367 WeakPolarHBondContact O-CG2 3.4Å; G360-V367 PolarHBondContact O-N 2.82Å; N362-V367 HydrophobicContact CB-CG1 4.37Å; N362-V367 HydrophobicContact CB-CG2 3.95Å; H365-V367 HydrophobicContact CB-CG1 4.22Å; V367-F369 HydrophobicContact CG2-CE2 3.66Å; V367-F369 HydrophobicContact CG2-CZ 4.11Å
368	L	98	Very high	87.8	Confident	26 Å²	26	43 Å²	43	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.2	173.3	-70.7	172.4	0	0	0	111	P133 Q134 V136 W146 A357 L358 Y359	P133-L368 CarbonylContact C-O 3.31Å; P133-L368 WeakPolarHBondContact CA-O 3.35Å; Q134-L368 PolarHBondContact N-O 2.94Å; Q134-L368 PolarHBondContact O-N 3.5Å; V136-L368 HydrophobicContact CG2-CD1 3.68Å; V136-L368 HydrophobicContact CG2-CG 3.82Å; W146-L368 HydrophobicContact CH2-CD1 4.16Å; W146-L368 HydrophobicContact CH2-CD2 3.71Å; W146-L368 HydrophobicContact CH2-CG 3.73Å; W146-L368 HydrophobicContact CZ2-CD2 3.81Å; W146-L368 HydrophobicContact CZ2-CG 3.94Å; A357-L368 HydrophobicContact CB-CD2 4.42Å; L358-L368 CarbonylContact O-C 3.59Å; L358-L368 WeakPolarHBondContact O-CA 3.08Å; Y359-L368 HydrophobicContact CD1-CD2 3.8Å; Y359-L368 HydrophobicContact CD2-CD2 3.64Å; Y359-L368 HydrophobicContact CE1-CD2 3.82Å; Y359-L368 HydrophobicContact CE2-CD2 3.65Å; Y359-L368 HydrophobicContact CG-CD2 3.7Å
369	F	98.1	Very high	84.9	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128	168.8	-53.8	-97.1	0	0	0	110.2	I130 T131 P133 F339 H340 M346 L349 A357 L358 V367	I130-F369 HydrophobicContact CG2-CB 3.52Å; I130-F369 HydrophobicContact CG2-CD1 3.87Å; I130-F369 HydrophobicContact CG2-CG 3.96Å; T131-F369 CarbonylContact O-C 3.59Å; T131-F369 WeakPolarHBondContact O-CA 3.35Å; P133-F369 HydrophobicContact CB-CD1 4.1Å; P133-F369 HydrophobicContact CB-CE1 3.53Å; P133-F369 HydrophobicContact CB-CE2 4.37Å; P133-F369 HydrophobicContact CB-CZ 3.68Å; P133-F369 HydrophobicContact CG-CE1 4.02Å; P133-F369 HydrophobicContact CG-CZ 4.27Å; F339-F369 HydrophobicContact CD2-CE1 4.07Å; F339-F369 HydrophobicContact CD2-CZ 4.16Å; H340-F369 WeakPolarHBondContact O-CE1 3.41Å; M346-F369 HydrophobicContact CE-CE2 3.85Å; M346-F369 HydrophobicContact CE-CZ 3.8Å; L349-F369 HydrophobicContact CD1-CD2 4Å; L349-F369 HydrophobicContact CD1-CE2 3.98Å; A357-F369 CarbonylContact C-O 3.48Å; A357-F369 WeakPolarHBondContact CA-O 3.5Å; A357-F369 WeakPolarHBondContact CB-O 3.43Å; L358-F369 HydrophobicContact CB-CB 4.17Å; L358-F369 HydrophobicContact CB-CD2 4.28Å; L358-F369 PolarHBondContact N-O 3.4Å; L358-F369 PolarHBondContact O-N 3.47Å; V367-F369 HydrophobicContact CG2-CE2 3.66Å; V367-F369 HydrophobicContact CG2-CZ 4.11Å
370	N	95.3	Very high	82.2	Confident	93 Å²	93	55.9 Å²	55.9	50%	0.497	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	136.4	173.1	-68.3	-14.6	0	0	0	109.7	I130 T131	I130-N370 WeakPolarHBondContact CA-O 3.48Å; T131-N370 PolarHBondContact N-O 3.4Å; T131-N370 PolarHBondContact O-N 3Å
371	V	95.1	Very high	79.5	Confident	19 Å²	19	63 Å²	63	12%	0.115	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.6	173.8	-60.4	0	0	0	0	111.4	L127 K129 I305 Y351 R356 L358 L373	L127-V371 HydrophobicContact CD1-CB 3.69Å; L127-V371 HydrophobicContact CD1-CG1 3.84Å; K129-V371 WeakPolarHBondContact O-CA 3.44Å; I305-V371 HydrophobicContact CD1-CG1 4.41Å; I305-V371 HydrophobicContact CD1-CG2 4.5Å; Y351-V371 HydrophobicContact CD2-CG2 4.46Å; Y351-V371 HydrophobicContact CE2-CG2 3.81Å; R356-V371 HydrophobicContact CB-CG2 4.25Å; R356-V371 VanDerWaalsContact O-CG2 3.25Å; R356-V371 WeakPolarHBondContact O-CG2 3.28Å; R356-V371 PolarHBondContact O-N 3.1Å; L358-V371 HydrophobicContact CD1-CG1 4.05Å; L358-V371 HydrophobicContact CD2-CG1 4.33Å; L358-V371 HydrophobicContact CG-CG1 3.76Å; V371-L373 HydrophobicContact CB-CD2 4.36Å; V371-L373 HydrophobicContact CG2-CD2 4.07Å; V371-L373 HydrophobicContact CG2-CG 4.33Å
372	T	91.2	Very high	76.5	Confident	72 Å²	72	70.7 Å²	70.7	44%	0.442	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.6	168.6	-53.1	0	0	0	0	108.2	M128 K129	M128-T372 PolarHBondContact N-O 3.31Å; K129-T372 PolarHBondContact N-O 3.19Å; K129-T372 PolarHBondContact O-N 3.01Å
373	L	90.6	Very high	73.5	Confident	30 Å²	30	79.1 Å²	79.1	16%	0.157	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.4	-179.2	-51.7	-176.6	0	0	0	110.3	K126 L127 I305 V371	K126-L373 CarbonylContact O-C 3.6Å; K126-L373 VanDerWaalsContact O-CA 3.3Å; K126-L373 WeakPolarHBondContact O-CA 3.11Å; L127-L373 HydrophobicContact CB-CD2 4.3Å; L127-L373 HydrophobicContact CD1-CD2 4.02Å; I305-L373 HydrophobicContact CD1-CD2 4.15Å; I305-L373 HydrophobicContact CG2-CD1 3.8Å; I305-L373 HydrophobicContact CG2-CD2 3.94Å; V371-L373 HydrophobicContact CB-CD2 4.36Å; V371-L373 HydrophobicContact CG2-CD2 4.07Å; V371-L373 HydrophobicContact CG2-CG 4.33Å
374	F	82.2	Confident	72.3	Confident	111 Å²	111	80 Å²	80	49%	0.487	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.2	173.8	-178.4	-106.8	0	0	0	110.8	G125 K126 M128 I376	G125-F374 CarbonylContact C-O 3.5Å; G125-F374 WeakPolarHBondContact CA-O 3.48Å; K126-F374 PolarHBondContact N-O 2.83Å; K126-F374 PolarHBondContact O-N 3.47Å; M128-F374 HydrophobicContact CG-CB 3.41Å; M128-F374 VanDerWaalsContact CG-CB 3.41Å; M128-F374 HydrophobicContact CG-CG 4.45Å; M128-F374 HydrophobicContact SD-CB 3.83Å; F374-I376 HydrophobicContact CD1-CD1 4.07Å; F374-I376 HydrophobicContact CD1-CG1 3.61Å; F374-I376 HydrophobicContact CE1-CD1 3.89Å; F374-I376 HydrophobicContact CE1-CG1 3.37Å; F374-I376 HydrophobicContact CZ-CG1 4.47Å
375	H	68.2	Low	70.9	Confident	51 Å²	51	83.8 Å²	83.8	24%	0.236	44%	0.443	C	S	.	.			trans	-90.5	116.1	-178.2	-84.1	50.7	0	0	0	111.4	L122 T123 C124	L122-H375 PolarHBondContact O-CD2 3.41Å; L122-H375 VanDerWaalsContact O-CD2 3.28Å; L122-H375 PolarHBondContact O-NE2 2.74Å; T123-H375 WeakPolarHBondContact CA-NE2 3.32Å; T123-H375 PolarHBondContact O-CE1 3.02Å; T123-H375 PolarHBondContact O-NE2 3.23Å; C124-H375 VanDerWaalsContact C-NE2 3.3Å; C124-H375 PolarHBondContact N-CE1 3.18Å; C124-H375 PolarHBondContact N-NE2 2.84Å; C124-H375 PolarHBondContact O-CD2 3.11Å; C124-H375 VanDerWaalsContact O-CD2 3.31Å; C124-H375 PolarHBondContact O-CE1 2.94Å; C124-H375 PolarHBondContact O-NE2 3.35Å
376	I	52.3	Low	69.4	Low	114 Å²	114	86.5 Å²	86.5	59%	0.585	46%	0.459	S	S	*	.			trans	-106.5	98.9	166.3	-56.4	173.9	0	0	0	107.2	F374 K378	F374-I376 HydrophobicContact CD1-CD1 4.07Å; F374-I376 HydrophobicContact CD1-CG1 3.61Å; F374-I376 HydrophobicContact CE1-CD1 3.89Å; F374-I376 HydrophobicContact CE1-CG1 3.37Å; F374-I376 HydrophobicContact CZ-CG1 4.47Å; I376-K378 HydrophobicContact CG2-CG 4.15Å; I376-K378 PolarHBondContact O-N 3.43Å
377	I	47.8	Very low	67.7	Low	91 Å²	91	91.6 Å²	91.6	47%	0.467	49%	0.486	S	S	.	.			trans	-79	100.8	166.5	-57.8	174.5	0	0	0	106	T379	I377-T379 PolarHBondContact O-N 2.87Å
378	K	43.3	Very low	65.8	Low	182 Å²	182	97.3 Å²	97.3	79%	0.791	52%	0.516	S	S	*	.			trans	-72.8	115.2	166.1	-74	-169	175.3	-169.9	0	107.7	I376	I376-K378 HydrophobicContact CG2-CG 4.15Å; I376-K378 PolarHBondContact O-N 3.43Å
379	T	38.6	Very low	63.6	Low	91 Å²	91	102.1 Å²	102.1	56%	0.558	54%	0.541	S	S	*	.			trans	-66.8	136.9	164.6	43.7	0	0	0	0	108.5	I377 D381	I377-T379 PolarHBondContact O-N 2.87Å; T379-D381 PolarHBondContact O-N 3.4Å
380	E	41.5	Very low	61.2	Low	188 Å²	188	109.3 Å²	109.3	88%	0.879	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	14.9	-177.1	-77.5	-178.8	151.5	0	0	115.4
381	D	39.5	Very low	58.5	Low	148 Å²	148	110.5 Å²	110.5	79%	0.791	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	8.2	-176.7	-78.1	-22.5	0	0	0	114.7	T379	T379-D381 PolarHBondContact O-N 3.4Å
382	D	35.7	Very low	55.5	Low	163 Å²	163	118.2 Å²	118.2	87%	0.872	63%	0.625	S	S	*	*			trans	-111.1	49.1	177.6	-78.7	-19.3	0	0	0	113
383	S	35	Very low	52.2	Low	177 Å²	177	122.4 Å²	122.4	100%	1.238	64%	0.642	S	S	*	*			trans	-128.4	0	165.3	63.7	0	0	0	0	112.5

Retrieved 383 of 383 residues in 856.9 ms (Link to these results)

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