A0A077ZCK0_TRITR Loading...

Phosphoglucomutase

AlphaFold DB , UniProt , Accession A0A077ZCK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 112 aa.

						>A0A077ZCK0_TRITR|A0A077ZCK0
MQEDYAVNFIQCILDGGLKEKKKGSTLIIGANGRNLSNIVLQIFRDGRTKMGVSGLMTTPAVSLTIREFKADDAIILTASQSPGGHNGDFGISSMEAMGARLASVLLRTFIN
					

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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	62.9	Low	80.8	Confident	74 Å²	74	74.6 Å²	74.6	37%	0.365	36%	0.363	S	S	.	.				0	132.9	0	-179.4	-178.4	-78.5	0	0	106.3	A6 L36 F90 L107 T109 F110	M1-A6 HydrophobicContact CE-CB 4.23Å; M1-A6 HydrophobicContact SD-CB 3.61Å; M1-L36 HydrophobicContact CE-CD1 4.49Å; M1-F90 HydrophobicContact CE-CD1 3.97Å; M1-L107 HydrophobicContact CE-CB 4.4Å; M1-L107 HydrophobicContact CE-CD1 3.94Å; M1-T109 HydrophobicContact CB-CG2 4.37Å; M1-F110 PolarHBondContact N-O 3.24Å
2	Q	72.1	Confident	81.4	Confident	152 Å²	152	75.4 Å²	75.4	71%	0.71	38%	0.38	S	S	*	.			trans	-57.5	142.2	175.8	179.4	178.4	-3.7	0	0	109.8	D4 Y5	Q2-D4 PolarHBondContact O-N 2.82Å; Q2-Y5 WeakPolarHBondContact O-CB 3.29Å; Q2-Y5 PolarHBondContact O-N 3.11Å
3	E	76.1	Confident	81.8	Confident	168 Å²	168	70.8 Å²	70.8	79%	0.785	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	136.3	175.5	-166.9	169.5	-163.8	0	0	110	Y5	E3-Y5 PolarHBondContact O-N 3.29Å
4	D	82.9	Confident	82.3	Confident	93 Å²	93	65.9 Å²	65.9	50%	0.497	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	1.1	-178	-56	-36.6	0	0	0	117.8	Q2 A6 V7 N8	Q2-D4 PolarHBondContact O-N 2.82Å; D4-A6 PolarHBondContact O-N 3.19Å; D4-V7 PolarHBondContact O-N 2.54Å; D4-N8 WeakPolarHBondContact O-CB 3.41Å; D4-N8 PolarHBondContact O-N 3.3Å; D4-N8 PolarHBondContact O-ND2 3.31Å
5	Y	82	Confident	82.7	Confident	81 Å²	81	66.7 Å²	66.7	32%	0.318	34%	0.338	S	S	.	.	H	α-helix	trans	-58	-49.2	-176.4	-174.3	-76	0	0	0	112.2	Q2 E3 V7 N8 F9 L107	Q2-Y5 WeakPolarHBondContact O-CB 3.29Å; Q2-Y5 PolarHBondContact O-N 3.11Å; E3-Y5 PolarHBondContact O-N 3.29Å; Y5-V7 VanDerWaalsContact C-N 3.33Å; Y5-V7 PolarHBondContact O-N 3.31Å; Y5-N8 PolarHBondContact O-N 2.94Å; Y5-F9 HydrophobicContact CD1-CB 4.42Å; Y5-F9 HydrophobicContact CE1-CB 4.15Å; Y5-F9 HydrophobicContact CE1-CD2 4.48Å; Y5-F9 HydrophobicContact CE1-CG 4.45Å; Y5-F9 VanDerWaalsContact O-CB 3.26Å; Y5-F9 WeakPolarHBondContact O-CB 3.4Å; Y5-F9 PolarHBondContact O-N 3.36Å; Y5-L107 HydrophobicContact CD1-CD1 3.41Å; Y5-L107 VanDerWaalsContact CD1-CD1 3.41Å; Y5-L107 HydrophobicContact CD1-CD2 3.55Å; Y5-L107 HydrophobicContact CD1-CG 4.1Å; Y5-L107 HydrophobicContact CE1-CD1 3.47Å; Y5-L107 VanDerWaalsContact CE1-CD1 3.47Å; Y5-L107 HydrophobicContact CE1-CD2 3.09Å; Y5-L107 HydrophobicContact CE1-CG 3.8Å; Y5-L107 HydrophobicContact CE2-CD2 4.32Å; Y5-L107 HydrophobicContact CG-CD2 4.37Å
6	A	80	Confident	82.9	Confident	5 Å²	5	65.5 Å²	65.5	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-65.5	-39.1	-179.3	0	0	0	0	0	111.9	M1 D4 F9 I10 L36 I92	M1-A6 HydrophobicContact CE-CB 4.23Å; M1-A6 HydrophobicContact SD-CB 3.61Å; D4-A6 PolarHBondContact O-N 3.19Å; A6-F9 PolarHBondContact O-N 3.43Å; A6-I10 WeakPolarHBondContact O-CB 2.95Å; A6-I10 WeakPolarHBondContact O-CD1 3.42Å; A6-I10 WeakPolarHBondContact O-CG1 3.41Å; A6-I10 PolarHBondContact O-N 2.87Å; A6-L36 HydrophobicContact CB-CD2 3.73Å; A6-I92 HydrophobicContact CB-CD1 4.25Å
7	V	84.9	Confident	83	Confident	49 Å²	49	63.9 Å²	63.9	30%	0.297	35%	0.35	S	S	.	.	H	α-helix	trans	-60.9	-52.1	176.8	173.9	0	0	0	0	109.6	D4 Y5 F9 I10 Q11 I39 I43	D4-V7 PolarHBondContact O-N 2.54Å; Y5-V7 VanDerWaalsContact C-N 3.33Å; Y5-V7 PolarHBondContact O-N 3.31Å; V7-F9 VanDerWaalsContact C-N 3.33Å; V7-F9 PolarHBondContact O-N 2.82Å; V7-I10 PolarHBondContact O-N 2.84Å; V7-Q11 WeakPolarHBondContact O-CB 3.34Å; V7-Q11 PolarHBondContact O-N 3.35Å; V7-I39 HydrophobicContact CG2-CG2 3.76Å; V7-I43 HydrophobicContact CB-CD1 4.29Å; V7-I43 HydrophobicContact CG1-CD1 3.84Å; V7-I43 HydrophobicContact CG1-CG1 4.28Å
8	N	87.7	Confident	83.1	Confident	92 Å²	92	60.6 Å²	60.6	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-61.9	-41.8	179.1	-68.7	-18.8	0	0	0	111.4	D4 Y5 Q11 C12	D4-N8 WeakPolarHBondContact O-CB 3.41Å; D4-N8 PolarHBondContact O-N 3.3Å; D4-N8 PolarHBondContact O-ND2 3.31Å; Y5-N8 PolarHBondContact O-N 2.94Å; N8-Q11 PolarHBondContact O-N 2.81Å; N8-C12 WeakPolarHBondContact O-CB 3.34Å; N8-C12 PolarHBondContact O-N 3.34Å; N8-C12 PolarHBondContact O-SG 3.37Å
9	F	86.5	Confident	83.3	Confident	43 Å²	43	64.8 Å²	64.8	19%	0.189	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-44	177.9	-172.5	-98.3	0	0	0	112.4	Y5 A6 V7 Q11 C12 I13 I92 V105	Y5-F9 HydrophobicContact CD1-CB 4.42Å; Y5-F9 HydrophobicContact CE1-CB 4.15Å; Y5-F9 HydrophobicContact CE1-CD2 4.48Å; Y5-F9 HydrophobicContact CE1-CG 4.45Å; Y5-F9 VanDerWaalsContact O-CB 3.26Å; Y5-F9 WeakPolarHBondContact O-CB 3.4Å; Y5-F9 PolarHBondContact O-N 3.36Å; A6-F9 PolarHBondContact O-N 3.43Å; V7-F9 VanDerWaalsContact C-N 3.33Å; V7-F9 PolarHBondContact O-N 2.82Å; F9-Q11 VanDerWaalsContact C-N 3.34Å; F9-C12 PolarHBondContact O-N 2.78Å; F9-I13 HydrophobicContact CD1-CD1 3.72Å; F9-I13 HydrophobicContact CD1-CG1 4.43Å; F9-I13 HydrophobicContact CE1-CD1 3.28Å; F9-I13 HydrophobicContact CE1-CG1 4.08Å; F9-I13 HydrophobicContact CZ-CD1 3.99Å; F9-I13 HydrophobicContact CZ-CG1 4.41Å; F9-I13 WeakPolarHBondContact O-CG1 2.98Å; F9-I13 PolarHBondContact O-N 3.27Å; F9-I92 HydrophobicContact CD1-CB 3.9Å; F9-I92 HydrophobicContact CD1-CD1 3.77Å; F9-I92 HydrophobicContact CD1-CG1 4.38Å; F9-I92 HydrophobicContact CD1-CG2 3.95Å; F9-I92 HydrophobicContact CE1-CB 3.76Å; F9-I92 HydrophobicContact CE1-CG2 3.85Å; F9-V105 HydrophobicContact CD1-CG1 3.62Å; F9-V105 HydrophobicContact CD2-CB 4.44Å; F9-V105 HydrophobicContact CD2-CG1 4.08Å; F9-V105 HydrophobicContact CE1-CB 3.98Å; F9-V105 HydrophobicContact CE1-CG1 3.25Å; F9-V105 HydrophobicContact CE2-CB 3.8Å; F9-V105 HydrophobicContact CE2-CG1 3.78Å; F9-V105 HydrophobicContact CE2-CG2 4.5Å; F9-V105 HydrophobicContact CG-CG1 4.01Å; F9-V105 HydrophobicContact CZ-CB 3.53Å; F9-V105 HydrophobicContact CZ-CG1 3.36Å
10	I	86	Confident	83.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62	-44.9	174.6	-70.1	160	0	0	0	110.2	A6 V7 C12 I13 L14 L36 I39 V40 I43 I75 I92	A6-I10 WeakPolarHBondContact O-CB 2.95Å; A6-I10 WeakPolarHBondContact O-CD1 3.42Å; A6-I10 WeakPolarHBondContact O-CG1 3.41Å; A6-I10 PolarHBondContact O-N 2.87Å; V7-I10 PolarHBondContact O-N 2.84Å; I10-C12 VanDerWaalsContact C-N 3.34Å; I10-C12 PolarHBondContact O-N 3.19Å; I10-I13 WeakPolarHBondContact O-CB 3.4Å; I10-I13 PolarHBondContact O-N 3.23Å; I10-L14 HydrophobicContact CG2-CD1 3.87Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 VanDerWaalsContact O-CG 3.31Å; I10-L14 WeakPolarHBondContact O-CG 3.23Å; I10-L14 PolarHBondContact O-N 3.12Å; I10-L36 HydrophobicContact CD1-CD2 4.49Å; I10-I39 HydrophobicContact CD1-CG2 3.89Å; I10-V40 HydrophobicContact CD1-CG2 3.62Å; I10-V40 HydrophobicContact CG1-CG2 4.13Å; I10-V40 HydrophobicContact CG2-CB 4.46Å; I10-V40 HydrophobicContact CG2-CG1 4.36Å; I10-V40 HydrophobicContact CG2-CG2 4.06Å; I10-I43 HydrophobicContact CB-CD1 3.85Å; I10-I43 HydrophobicContact CD1-CD1 4.42Å; I10-I43 HydrophobicContact CG2-CD1 3.66Å; I10-I43 HydrophobicContact CG2-CG2 4.46Å; I10-I75 HydrophobicContact CG2-CD1 4.08Å; I10-I92 HydrophobicContact CD1-CD1 4.32Å; I10-I92 HydrophobicContact CG1-CD1 4.05Å
11	Q	88	Confident	83.5	Confident	64 Å²	64	74.3 Å²	74.3	30%	0.299	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-45.6	176.8	-177.6	62.5	51.6	0	0	111.3	V7 N8 F9 I13 L14 D15 I43	V7-Q11 WeakPolarHBondContact O-CB 3.34Å; V7-Q11 PolarHBondContact O-N 3.35Å; N8-Q11 PolarHBondContact O-N 2.81Å; F9-Q11 VanDerWaalsContact C-N 3.34Å; Q11-I13 PolarHBondContact O-N 3.16Å; Q11-L14 PolarHBondContact O-N 3.45Å; Q11-D15 WeakPolarHBondContact CG-OD2 3.18Å; Q11-D15 PolarHBondContact NE2-OD1 3.15Å; Q11-D15 VanDerWaalsContact NE2-OD1 3.11Å; Q11-D15 PolarHBondContact NE2-OD2 3.43Å; Q11-D15 WeakPolarHBondContact O-CB 3.39Å; Q11-D15 PolarHBondContact O-N 2.81Å; Q11-I43 HydrophobicContact CB-CG2 4.48Å
12	C	88.1	Confident	84.5	Confident	84 Å²	84	72.3 Å²	72.3	57%	0.568	37%	0.374	S	S	*	.	H	α-helix	trans	-59.7	-41.3	174.9	-72.8	0	0	0	0	112.7	N8 F9 I10 G16	N8-C12 WeakPolarHBondContact O-CB 3.34Å; N8-C12 PolarHBondContact O-N 3.34Å; N8-C12 PolarHBondContact O-SG 3.37Å; F9-C12 PolarHBondContact O-N 2.78Å; I10-C12 VanDerWaalsContact C-N 3.34Å; I10-C12 PolarHBondContact O-N 3.19Å; C12-G16 PolarHBondContact O-N 2.76Å
13	I	86.7	Confident	85.1	Confident	16 Å²	16	73.4 Å²	73.4	8%	0.082	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-50.5	174	-74.1	169	0	0	0	109.9	F9 I10 Q11 D15 G16 G17 I75 I92	F9-I13 HydrophobicContact CD1-CD1 3.72Å; F9-I13 HydrophobicContact CD1-CG1 4.43Å; F9-I13 HydrophobicContact CE1-CD1 3.28Å; F9-I13 HydrophobicContact CE1-CG1 4.08Å; F9-I13 HydrophobicContact CZ-CD1 3.99Å; F9-I13 HydrophobicContact CZ-CG1 4.41Å; F9-I13 WeakPolarHBondContact O-CG1 2.98Å; F9-I13 PolarHBondContact O-N 3.27Å; I10-I13 WeakPolarHBondContact O-CB 3.4Å; I10-I13 PolarHBondContact O-N 3.23Å; Q11-I13 PolarHBondContact O-N 3.16Å; I13-D15 PolarHBondContact O-N 3.42Å; I13-G16 PolarHBondContact O-N 3.29Å; I13-G17 PolarHBondContact O-N 3.49Å; I13-I75 HydrophobicContact CG2-CD1 4.33Å; I13-I75 HydrophobicContact CG2-CG1 4.28Å; I13-I92 HydrophobicContact CD1-CG2 3.87Å
14	L	88.1	Confident	85.6	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-65	-42.2	-177.4	-65	170.2	0	0	0	111.1	I10 Q11 L18 K19 K22 L27 I43 F44 I75	I10-L14 HydrophobicContact CG2-CD1 3.87Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 VanDerWaalsContact O-CG 3.31Å; I10-L14 WeakPolarHBondContact O-CG 3.23Å; I10-L14 PolarHBondContact O-N 3.12Å; Q11-L14 PolarHBondContact O-N 3.45Å; L14-L18 HydrophobicContact CD2-CD1 3.93Å; L14-L18 WeakPolarHBondContact O-CA 3.37Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 PolarHBondContact O-N 3.2Å; L14-K19 PolarHBondContact O-N 3.43Å; L14-K22 WeakPolarHBondContact O-CE 3.34Å; L14-L27 HydrophobicContact CD2-CD1 4.21Å; L14-L27 HydrophobicContact CD2-CD2 3.96Å; L14-I43 HydrophobicContact CD1-CB 4.38Å; L14-I43 HydrophobicContact CD1-CG2 3.59Å; L14-F44 HydrophobicContact CD1-CB 4.02Å; L14-F44 HydrophobicContact CD1-CD2 4.25Å; L14-F44 HydrophobicContact CD2-CD2 3.93Å; L14-F44 HydrophobicContact CD2-CE2 4.49Å; L14-F44 HydrophobicContact CD2-CG 4.45Å; L14-I75 HydrophobicContact CD2-CD1 3.98Å; L14-I75 HydrophobicContact CG-CD1 4.32Å
15	D	88.7	Confident	86	Confident	78 Å²	78	63 Å²	63	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-40.8	175.9	-75.7	-33.5	0	0	0	111.5	Q11 I13 K19 K22	Q11-D15 WeakPolarHBondContact CG-OD2 3.18Å; Q11-D15 PolarHBondContact NE2-OD1 3.15Å; Q11-D15 VanDerWaalsContact NE2-OD1 3.11Å; Q11-D15 PolarHBondContact NE2-OD2 3.43Å; Q11-D15 WeakPolarHBondContact O-CB 3.39Å; Q11-D15 PolarHBondContact O-N 2.81Å; I13-D15 PolarHBondContact O-N 3.42Å; D15-K19 WeakPolarHBondContact O-CA 3.48Å; D15-K19 WeakPolarHBondContact O-CG 3.4Å; D15-K19 PolarHBondContact O-N 3.21Å; D15-K22 VanDerWaalsContact CG-NZ 3.33Å; D15-K22 WeakPolarHBondContact OD1-CE 3.1Å; D15-K22 IonicContact OD1-NZ 3.29Å; D15-K22 PolarHBondContact OD1-NZ 3.04Å; D15-K22 IonicContact OD2-NZ 2.54Å
16	G	86.3	Confident	86.5	Confident	48 Å²	48	59.4 Å²	59.4	50%	0.495	32%	0.322	S	S	.	.	H	α-helix	trans	-72.2	-45.8	179.2	0	0	0	0	0	113.7	C12 I13 K19	C12-G16 PolarHBondContact O-N 2.76Å; I13-G16 PolarHBondContact O-N 3.29Å; G16-K19 VanDerWaalsContact O-CE 3.29Å; G16-K19 WeakPolarHBondContact O-CE 3.35Å
17	G	83.5	Confident	87	Confident	38 Å²	38	59.1 Å²	59.1	39%	0.392	32%	0.32	S	S	.	.	H	α-helix	trans	-80.7	-53	-175.1	0	0	0	0	0	113.1	I13	I13-G17 PolarHBondContact O-N 3.49Å
18	L	85.4	Confident	87.2	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-32.2	-174.5	-64.9	173.6	0	0	0	113.2	L14 E20 K21 K22 F44 D72 D73	L14-L18 HydrophobicContact CD2-CD1 3.93Å; L14-L18 WeakPolarHBondContact O-CA 3.37Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 PolarHBondContact O-N 3.2Å; L18-E20 PolarHBondContact O-N 3.19Å; L18-K21 WeakPolarHBondContact O-CA 3.37Å; L18-K21 WeakPolarHBondContact O-CB 3.49Å; L18-K21 PolarHBondContact O-N 3.44Å; L18-K22 HydrophobicContact CB-CB 4.44Å; L18-K22 HydrophobicContact CB-CG 3.53Å; L18-K22 HydrophobicContact CD1-CG 4.21Å; L18-F44 HydrophobicContact CD1-CD2 4.23Å; L18-F44 HydrophobicContact CD1-CE2 3.44Å; L18-F44 VanDerWaalsContact CD1-CE2 3.44Å; L18-F44 HydrophobicContact CD1-CZ 3.97Å; L18-D72 HydrophobicContact CD2-CB 3.62Å; L18-D73 HydrophobicContact CD1-CB 4.37Å; L18-D73 HydrophobicContact CD2-CB 3.8Å; L18-D73 HydrophobicContact CG-CB 4.04Å
19	K	86.1	Confident	87.2	Confident	140 Å²	140	52.4 Å²	52.4	61%	0.609	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	48	-128.3	-177.7	-62.1	174.7	-178.7	-179.5	0	111.1	L14 D15 G16 K21 K22	L14-K19 PolarHBondContact O-N 3.43Å; D15-K19 WeakPolarHBondContact O-CA 3.48Å; D15-K19 WeakPolarHBondContact O-CG 3.4Å; D15-K19 PolarHBondContact O-N 3.21Å; G16-K19 VanDerWaalsContact O-CE 3.29Å; G16-K19 WeakPolarHBondContact O-CE 3.35Å; K19-K21 PolarHBondContact O-N 2.99Å; K19-K22 VanDerWaalsContact O-CG 3.23Å; K19-K22 WeakPolarHBondContact O-CG 3.26Å; K19-K22 PolarHBondContact O-N 3.3Å
20	E	84.8	Confident	87.2	Confident	181 Å²	181	50.4 Å²	50.4	85%	0.846	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-65.1	-19.4	175.5	-56.3	-54.8	141.7	0	0	113.9	L18 K22	L18-E20 PolarHBondContact O-N 3.19Å; E20-K22 PolarHBondContact O-N 2.9Å
21	K	85.8	Confident	86.8	Confident	148 Å²	148	50.4 Å²	50.4	64%	0.643	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-75	-7.5	179.5	-58.1	-178.5	176.6	178.1	0	113.3	L18 K19 K23 S25	L18-K21 WeakPolarHBondContact O-CA 3.37Å; L18-K21 WeakPolarHBondContact O-CB 3.49Å; L18-K21 PolarHBondContact O-N 3.44Å; K19-K21 PolarHBondContact O-N 2.99Å; K21-K23 PolarHBondContact O-N 3.42Å; K21-K23 VanDerWaalsContact O-N 3.12Å; K21-S25 WeakPolarHBondContact O-CB 3.48Å; K21-S25 PolarHBondContact O-N 2.84Å; K21-S25 PolarHBondContact O-OG 3.42Å
22	K	84.5	Confident	86.1	Confident	32 Å²	32	51.9 Å²	51.9	14%	0.139	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-47.2	-45.2	177.9	-76.6	175.3	-175.3	-160.5	0	111.7	L14 D15 L18 K19 E20 G24 S25 F44	L14-K22 WeakPolarHBondContact O-CE 3.34Å; D15-K22 VanDerWaalsContact CG-NZ 3.33Å; D15-K22 WeakPolarHBondContact OD1-CE 3.1Å; D15-K22 IonicContact OD1-NZ 3.29Å; D15-K22 PolarHBondContact OD1-NZ 3.04Å; D15-K22 IonicContact OD2-NZ 2.54Å; L18-K22 HydrophobicContact CB-CB 4.44Å; L18-K22 HydrophobicContact CB-CG 3.53Å; L18-K22 HydrophobicContact CD1-CG 4.21Å; K19-K22 VanDerWaalsContact O-CG 3.23Å; K19-K22 WeakPolarHBondContact O-CG 3.26Å; K19-K22 PolarHBondContact O-N 3.3Å; E20-K22 PolarHBondContact O-N 2.9Å; K22-G24 PolarHBondContact O-N 3.18Å; K22-G24 VanDerWaalsContact O-N 3.15Å; K22-S25 WeakPolarHBondContact CA-OG 3.42Å; K22-S25 PolarHBondContact O-N 2.92Å; K22-S25 PolarHBondContact O-OG 3.32Å; K22-F44 HydrophobicContact CB-CE2 4.29Å; K22-F44 HydrophobicContact CG-CE2 4.35Å
23	K	85.6	Confident	84.9	Confident	175 Å²	175	50 Å²	50	76%	0.761	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	112.8	177.7	-168.1	174.5	-177.3	176.6	0	110.8	K21 S25 D46	K21-K23 PolarHBondContact O-N 3.42Å; K21-K23 VanDerWaalsContact O-N 3.12Å; K23-S25 VanDerWaalsContact C-N 3.29Å; K23-S25 PolarHBondContact O-N 3.47Å; K23-D46 WeakPolarHBondContact CA-O 3.21Å
24	G	86.7	Confident	83.9	Confident	39 Å²	39	52.3 Å²	52.3	40%	0.402	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-6.6	179.2	0	0	0	0	0	116.1	K22 D46 R48	K22-G24 PolarHBondContact O-N 3.18Å; K22-G24 VanDerWaalsContact O-N 3.15Å; G24-D46 PolarHBondContact N-O 2.86Å; G24-R48 PolarHBondContact O-NE 2.74Å; G24-R48 PolarHBondContact O-NH2 2.92Å; G24-R48 VanDerWaalsContact O-NH2 3.12Å
25	S	90.7	Very high	82.8	Confident	5 Å²	5	58.8 Å²	58.8	4%	0.035	32%	0.321	C	S	.	.			trans	-62.9	159.1	171.9	56.6	0	0	0	0	112.2	K21 K22 K23 F44 G47 R48 D72	K21-S25 WeakPolarHBondContact O-CB 3.48Å; K21-S25 PolarHBondContact O-N 2.84Å; K21-S25 PolarHBondContact O-OG 3.42Å; K22-S25 WeakPolarHBondContact CA-OG 3.42Å; K22-S25 PolarHBondContact O-N 2.92Å; K22-S25 PolarHBondContact O-OG 3.32Å; K23-S25 VanDerWaalsContact C-N 3.29Å; K23-S25 PolarHBondContact O-N 3.47Å; S25-F44 VanDerWaalsContact OG-CZ 3.25Å; S25-F44 WeakPolarHBondContact OG-CZ 3.29Å; S25-G47 CarbonylContact O-C 3.6Å; S25-G47 WeakPolarHBondContact O-CA 3.42Å; S25-R48 PolarHBondContact O-N 3.3Å; S25-D72 WeakPolarHBondContact CA-OD2 3.23Å; S25-D72 VanDerWaalsContact CB-OD2 3.28Å; S25-D72 WeakPolarHBondContact CB-OD2 3.34Å
26	T	91.3	Very high	82	Confident	4 Å²	4	56 Å²	56	3%	0.025	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.7	173.7	-55.7	0	0	0	0	109.6	I28 R48 K50 A71 D72	T26-I28 HydrophobicContact CG2-CD1 4.4Å; T26-R48 CarbonylContact C-O 3.58Å; T26-R48 VanDerWaalsContact CA-O 3.25Å; T26-R48 WeakPolarHBondContact CA-O 3.22Å; T26-R48 VanDerWaalsContact OG1-CZ 3.31Å; T26-R48 PolarHBondContact OG1-NE 2.96Å; T26-R48 PolarHBondContact OG1-NH2 2.81Å; T26-K50 HydrophobicContact CG2-CD 4.19Å; T26-K50 HydrophobicContact CG2-CG 4.5Å; T26-A71 HydrophobicContact CG2-CB 4.12Å; T26-A71 WeakPolarHBondContact O-CB 3.4Å; T26-D72 PolarHBondContact N-OD2 2.97Å; T26-D72 PolarHBondContact O-N 2.93Å
27	L	91.1	Very high	81.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131	176.6	-177.4	70.5	0	0	0	110.1	L14 I29 V40 F44 R48 T49 K50 D73 I75	L14-L27 HydrophobicContact CD2-CD1 4.21Å; L14-L27 HydrophobicContact CD2-CD2 3.96Å; L27-I29 HydrophobicContact CD2-CD1 4.39Å; L27-I29 HydrophobicContact CD2-CG1 4.13Å; L27-I29 HydrophobicContact CG-CG1 4.29Å; L27-V40 HydrophobicContact CD2-CG1 3.83Å; L27-F44 HydrophobicContact CB-CD1 3.78Å; L27-F44 HydrophobicContact CB-CE1 3.36Å; L27-F44 HydrophobicContact CB-CZ 3.81Å; L27-F44 HydrophobicContact CD2-CB 4.02Å; L27-F44 HydrophobicContact CD2-CD1 3.56Å; L27-F44 HydrophobicContact CD2-CD2 4.28Å; L27-F44 HydrophobicContact CD2-CE1 4.04Å; L27-F44 HydrophobicContact CD2-CG 3.68Å; L27-F44 HydrophobicContact CG-CD1 4.32Å; L27-F44 HydrophobicContact CG-CE1 4.34Å; L27-R48 PolarHBondContact N-O 2.84Å; L27-T49 WeakPolarHBondContact O-CA 3.31Å; L27-K50 PolarHBondContact O-N 2.74Å; L27-D73 WeakPolarHBondContact CA-O 3.44Å; L27-D73 HydrophobicContact CD1-CB 3.95Å; L27-I75 HydrophobicContact CD1-CD1 4.42Å; L27-I75 HydrophobicContact CD1-CG1 4.28Å; L27-I75 HydrophobicContact CD2-CD1 4.32Å
28	I	90	Very high	81.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.5	168.8	-49.9	-51.9	0	0	0	109.7	T26 K50 M57 V62 T65 I66 A71 D73 A74 I75	T26-I28 HydrophobicContact CG2-CD1 4.4Å; I28-K50 CarbonylContact C-O 3.52Å; I28-K50 WeakPolarHBondContact CA-O 3.41Å; I28-K50 HydrophobicContact CD1-CB 3.6Å; I28-K50 HydrophobicContact CD1-CD 4.06Å; I28-K50 HydrophobicContact CD1-CG 4.36Å; I28-M57 HydrophobicContact CG2-CE 3.9Å; I28-M57 HydrophobicContact CG2-SD 3.86Å; I28-V62 HydrophobicContact CG2-CG1 4.07Å; I28-V62 HydrophobicContact CG2-CG2 4.49Å; I28-T65 HydrophobicContact CD1-CG2 3.55Å; I28-T65 HydrophobicContact CG1-CG2 4.03Å; I28-T65 HydrophobicContact CG2-CG2 4.07Å; I28-I66 HydrophobicContact CB-CG1 4.49Å; I28-I66 HydrophobicContact CG1-CG1 3.93Å; I28-A71 HydrophobicContact CD1-CB 3.72Å; I28-A71 HydrophobicContact CG1-CB 3.5Å; I28-D73 PolarHBondContact N-O 3.45Å; I28-A74 HydrophobicContact CB-CB 3.76Å; I28-A74 HydrophobicContact CG1-CB 4.48Å; I28-A74 CarbonylContact O-C 3.49Å; I28-A74 WeakPolarHBondContact O-CA 3.45Å; I28-A74 WeakPolarHBondContact O-CB 3.28Å; I28-I75 PolarHBondContact O-N 3.21Å
29	I	88.2	Confident	81	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.5	173.5	-55	175.3	0	0	0	108.7	L27 V40 L41 T49 K50 M51 I75 L77	L27-I29 HydrophobicContact CD2-CD1 4.39Å; L27-I29 HydrophobicContact CD2-CG1 4.13Å; L27-I29 HydrophobicContact CG-CG1 4.29Å; I29-V40 HydrophobicContact CD1-CB 3.83Å; I29-V40 HydrophobicContact CD1-CG1 3.43Å; I29-V40 VanDerWaalsContact CD1-CG1 3.43Å; I29-V40 HydrophobicContact CG1-CG1 3.92Å; I29-L41 HydrophobicContact CD1-CD2 4.05Å; I29-L41 HydrophobicContact CD1-CG 4.04Å; I29-T49 HydrophobicContact CD1-CG2 3.39Å; I29-T49 HydrophobicContact CG1-CG2 3.81Å; I29-K50 PolarHBondContact N-O 2.82Å; I29-M51 HydrophobicContact CB-CB 4.38Å; I29-M51 HydrophobicContact CB-CG 4.34Å; I29-M51 HydrophobicContact CG2-SD 4.37Å; I29-M51 WeakPolarHBondContact O-CA 3.43Å; I29-I75 WeakPolarHBondContact CA-O 3.32Å; I29-L77 HydrophobicContact CG2-CD1 4.48Å
30	G	85.7	Confident	80.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.2	169.7	0	0	0	0	0	111.1	I75 I76 L77	G30-I75 PolarHBondContact N-O 2.97Å; G30-I76 CarbonylContact O-C 3.55Å; G30-I76 VanDerWaalsContact O-CA 3.28Å; G30-I76 WeakPolarHBondContact O-CA 3.39Å; G30-L77 PolarHBondContact O-N 2.91Å
31	A	77.8	Confident	80.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	166.3	172.5	0	0	0	0	0	110.4	G33 G55 L56 M57 L77	A31-G33 PolarHBondContact O-N 2.96Å; A31-G55 CarbonylContact C-O 3.49Å; A31-G55 VanDerWaalsContact CA-O 3.31Å; A31-G55 WeakPolarHBondContact CA-O 3.26Å; A31-G55 VanDerWaalsContact CB-O 3.24Å; A31-G55 WeakPolarHBondContact CB-O 3.16Å; A31-G55 PolarHBondContact N-O 2.83Å; A31-G55 VanDerWaalsContact O-O 3.07Å; A31-L56 VanDerWaalsContact O-CA 3.29Å; A31-L56 WeakPolarHBondContact O-CA 3.47Å; A31-M57 PolarHBondContact O-N 3.36Å; A31-M57 VanDerWaalsContact O-N 3.13Å; A31-L77 WeakPolarHBondContact CA-O 3.37Å; A31-L77 HydrophobicContact CB-CB 3.77Å; A31-L77 HydrophobicContact CB-CD1 4.14Å; A31-L77 HydrophobicContact CB-CG 4.42Å
32	N	73.3	Confident	80.7	Confident	94 Å²	94	45.2 Å²	45.2	50%	0.503	24%	0.244	S	C	.	.	S	Bend	trans	-91.9	37.3	162.9	-69.6	-5.3	0	0	0	111.1	L56 L77 T78	N32-L56 VanDerWaalsContact C-CD2 3.45Å; N32-L77 PolarHBondContact N-O 3.45Å; N32-T78 PolarHBondContact ND2-OG1 2.94Å
33	G	63.5	Low	80.8	Confident	46 Å²	46	45.4 Å²	45.4	47%	0.474	25%	0.246	S	C	.	.	S	Bend	trans	85.2	22.1	173.2	0	0	0	0	0	115.6	A31 L56	A31-G33 PolarHBondContact O-N 2.96Å; G33-L56 VanDerWaalsContact N-CD2 3.25Å
34	R	64.5	Low	80.8	Confident	64 Å²	64	37.4 Å²	37.4	24%	0.242	21%	0.212	C	C	.	.			trans	-96.9	152.1	-176.3	-60.2	-172.1	-177.1	-154.9	18.9	112.5	L36 D89 F90	R34-L36 PolarHBondContact O-N 2.76Å; R34-D89 PolarHBondContact NH1-O 3.47Å; R34-F90 HydrophobicContact CB-CE2 4.24Å
35	N	65	Low	80.7	Confident	137 Å²	137	44.5 Å²	44.5	73%	0.733	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-9.2	-174.5	-68.3	-19.2	0	0	0	116.8	S37 N38	N35-S37 VanDerWaalsContact C-N 3.33Å; N35-S37 PolarHBondContact O-N 3.41Å; N35-N38 PolarHBondContact O-N 2.77Å
36	L	72.4	Confident	80.4	Confident	19 Å²	19	50.2 Å²	50.2	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-79.1	-13.6	-173.1	-82.4	153.2	0	0	0	113.9	M1 A6 I10 R34 N38 I39 V40 L77 F90	M1-L36 HydrophobicContact CE-CD1 4.49Å; A6-L36 HydrophobicContact CB-CD2 3.73Å; I10-L36 HydrophobicContact CD1-CD2 4.49Å; R34-L36 PolarHBondContact O-N 2.76Å; L36-N38 PolarHBondContact O-N 2.82Å; L36-I39 HydrophobicContact CD2-CB 4.07Å; L36-I39 HydrophobicContact CD2-CD1 3.34Å; L36-I39 HydrophobicContact CD2-CG1 4.24Å; L36-I39 HydrophobicContact CD2-CG2 4.32Å; L36-I39 HydrophobicContact CG-CD1 4.19Å; L36-I39 PolarHBondContact O-N 3.18Å; L36-I39 VanDerWaalsContact O-N 3.14Å; L36-V40 WeakPolarHBondContact O-CG2 3.3Å; L36-V40 PolarHBondContact O-N 3.06Å; L36-L77 HydrophobicContact CB-CD1 3.69Å; L36-L77 HydrophobicContact CB-CD2 4.19Å; L36-L77 HydrophobicContact CB-CG 4.47Å; L36-F90 HydrophobicContact CB-CE1 4.44Å; L36-F90 HydrophobicContact CB-CE2 4.41Å; L36-F90 HydrophobicContact CB-CZ 3.83Å; L36-F90 HydrophobicContact CD1-CD1 3.54Å; L36-F90 HydrophobicContact CD1-CD2 3.98Å; L36-F90 HydrophobicContact CD1-CE1 3.07Å; L36-F90 HydrophobicContact CD1-CE2 3.59Å; L36-F90 HydrophobicContact CD1-CG 3.96Å; L36-F90 HydrophobicContact CD1-CZ 3.11Å; L36-F90 HydrophobicContact CG-CE1 4.22Å; L36-F90 HydrophobicContact CG-CZ 4.01Å
37	S	73.1	Confident	80	Confident	13 Å²	13	50.9 Å²	50.9	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-38.9	171.6	50.7	0	0	0	0	111.7	N35 I39 V40 L41	N35-S37 VanDerWaalsContact C-N 3.33Å; N35-S37 PolarHBondContact O-N 3.41Å; S37-I39 VanDerWaalsContact C-N 3.31Å; S37-I39 PolarHBondContact O-N 3.23Å; S37-V40 PolarHBondContact O-N 3.16Å; S37-L41 WeakPolarHBondContact O-CG 3.4Å; S37-L41 PolarHBondContact O-N 2.91Å
38	N	78.7	Confident	79.9	Confident	92 Å²	92	58.4 Å²	58.4	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-37.7	176.2	-67	-19.6	0	0	0	111.8	N35 L36 L41 Q42	N35-N38 PolarHBondContact O-N 2.77Å; L36-N38 PolarHBondContact O-N 2.82Å; N38-L41 PolarHBondContact O-N 3.12Å; N38-Q42 VanDerWaalsContact O-CG 3.31Å; N38-Q42 WeakPolarHBondContact O-CG 3.39Å; N38-Q42 PolarHBondContact O-N 3.39Å
39	I	82.7	Confident	79.8	Confident	47 Å²	47	60.7 Å²	60.7	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-67.1	-44.1	176.9	-72.2	166.2	0	0	0	110.4	V7 I10 L36 S37 L41 Q42 I43	V7-I39 HydrophobicContact CG2-CG2 3.76Å; I10-I39 HydrophobicContact CD1-CG2 3.89Å; L36-I39 HydrophobicContact CD2-CB 4.07Å; L36-I39 HydrophobicContact CD2-CD1 3.34Å; L36-I39 HydrophobicContact CD2-CG1 4.24Å; L36-I39 HydrophobicContact CD2-CG2 4.32Å; L36-I39 HydrophobicContact CG-CD1 4.19Å; L36-I39 PolarHBondContact O-N 3.18Å; L36-I39 VanDerWaalsContact O-N 3.14Å; S37-I39 VanDerWaalsContact C-N 3.31Å; S37-I39 PolarHBondContact O-N 3.23Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 3.38Å; I39-Q42 WeakPolarHBondContact O-CB 3.25Å; I39-Q42 PolarHBondContact O-N 3.4Å; I39-Q42 VanDerWaalsContact O-N 3.16Å; I39-I43 HydrophobicContact CG2-CD1 3.76Å; I39-I43 VanDerWaalsContact O-CG1 3.3Å; I39-I43 WeakPolarHBondContact O-CG1 3.5Å; I39-I43 PolarHBondContact O-N 3.4Å
40	V	82.4	Confident	79.7	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-44.6	175	-178.9	0	0	0	0	110.8	I10 L27 I29 L36 S37 Q42 I43 F44 I75 L77	I10-V40 HydrophobicContact CD1-CG2 3.62Å; I10-V40 HydrophobicContact CG1-CG2 4.13Å; I10-V40 HydrophobicContact CG2-CB 4.46Å; I10-V40 HydrophobicContact CG2-CG1 4.36Å; I10-V40 HydrophobicContact CG2-CG2 4.06Å; L27-V40 HydrophobicContact CD2-CG1 3.83Å; I29-V40 HydrophobicContact CD1-CB 3.83Å; I29-V40 HydrophobicContact CD1-CG1 3.43Å; I29-V40 VanDerWaalsContact CD1-CG1 3.43Å; I29-V40 HydrophobicContact CG1-CG1 3.92Å; L36-V40 WeakPolarHBondContact O-CG2 3.3Å; L36-V40 PolarHBondContact O-N 3.06Å; S37-V40 PolarHBondContact O-N 3.16Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 2.78Å; V40-I43 PolarHBondContact O-N 2.96Å; V40-F44 WeakPolarHBondContact O-CB 3.31Å; V40-F44 PolarHBondContact O-N 2.91Å; V40-I75 HydrophobicContact CG1-CD1 3.84Å; V40-I75 HydrophobicContact CG2-CD1 4.4Å; V40-I75 HydrophobicContact CG2-CG2 4.19Å; V40-L77 HydrophobicContact CG2-CD1 4.41Å; V40-L77 HydrophobicContact CG2-CD2 4.43Å
41	L	82.6	Confident	79.7	Confident	61 Å²	61	68 Å²	68	32%	0.319	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-35.9	176.5	-73.7	168.8	0	0	0	113.1	I29 S37 N38 I39 I43 T49 M51	I29-L41 HydrophobicContact CD1-CD2 4.05Å; I29-L41 HydrophobicContact CD1-CG 4.04Å; S37-L41 WeakPolarHBondContact O-CG 3.4Å; S37-L41 PolarHBondContact O-N 2.91Å; N38-L41 PolarHBondContact O-N 3.12Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 3.38Å; L41-I43 VanDerWaalsContact C-N 3.32Å; L41-T49 HydrophobicContact CD2-CG2 3.55Å; L41-M51 HydrophobicContact CD1-CE 3.92Å
42	Q	85.5	Confident	79.8	Confident	121 Å²	121	68.8 Å²	68.8	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-68.7	-31.7	176	-76.5	176.6	1.4	0	0	112.6	N38 I39 V40 R45	N38-Q42 VanDerWaalsContact O-CG 3.31Å; N38-Q42 WeakPolarHBondContact O-CG 3.39Å; N38-Q42 PolarHBondContact O-N 3.39Å; I39-Q42 WeakPolarHBondContact O-CB 3.25Å; I39-Q42 PolarHBondContact O-N 3.4Å; I39-Q42 VanDerWaalsContact O-N 3.16Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 2.78Å; Q42-R45 WeakPolarHBondContact O-CG 3.17Å; Q42-R45 PolarHBondContact O-NE 3.08Å
43	I	86.6	Confident	80.1	Confident	35 Å²	35	70.4 Å²	70.4	18%	0.179	36%	0.362	C	S	.	.	H	α-helix	trans	-82.8	-45.4	179.5	-64.1	164.7	0	0	0	110.7	V7 I10 Q11 L14 I39 V40 L41 R45	V7-I43 HydrophobicContact CB-CD1 4.29Å; V7-I43 HydrophobicContact CG1-CD1 3.84Å; V7-I43 HydrophobicContact CG1-CG1 4.28Å; I10-I43 HydrophobicContact CB-CD1 3.85Å; I10-I43 HydrophobicContact CD1-CD1 4.42Å; I10-I43 HydrophobicContact CG2-CD1 3.66Å; I10-I43 HydrophobicContact CG2-CG2 4.46Å; Q11-I43 HydrophobicContact CB-CG2 4.48Å; L14-I43 HydrophobicContact CD1-CB 4.38Å; L14-I43 HydrophobicContact CD1-CG2 3.59Å; I39-I43 HydrophobicContact CG2-CD1 3.76Å; I39-I43 VanDerWaalsContact O-CG1 3.3Å; I39-I43 WeakPolarHBondContact O-CG1 3.5Å; I39-I43 PolarHBondContact O-N 3.4Å; V40-I43 PolarHBondContact O-N 2.96Å; L41-I43 VanDerWaalsContact C-N 3.32Å; I43-R45 PolarHBondContact O-N 3.15Å
44	F	85.8	Confident	80.6	Confident	8 Å²	8	73.2 Å²	73.2	4%	0.035	37%	0.374	C	S	.	.			trans	-92.4	74.7	-175.7	-170.4	-107.4	0	0	0	111.7	L14 L18 K22 S25 L27 V40 T49	L14-F44 HydrophobicContact CD1-CB 4.02Å; L14-F44 HydrophobicContact CD1-CD2 4.25Å; L14-F44 HydrophobicContact CD2-CD2 3.93Å; L14-F44 HydrophobicContact CD2-CE2 4.49Å; L14-F44 HydrophobicContact CD2-CG 4.45Å; L18-F44 HydrophobicContact CD1-CD2 4.23Å; L18-F44 HydrophobicContact CD1-CE2 3.44Å; L18-F44 VanDerWaalsContact CD1-CE2 3.44Å; L18-F44 HydrophobicContact CD1-CZ 3.97Å; K22-F44 HydrophobicContact CB-CE2 4.29Å; K22-F44 HydrophobicContact CG-CE2 4.35Å; S25-F44 VanDerWaalsContact OG-CZ 3.25Å; S25-F44 WeakPolarHBondContact OG-CZ 3.29Å; L27-F44 HydrophobicContact CB-CD1 3.78Å; L27-F44 HydrophobicContact CB-CE1 3.36Å; L27-F44 HydrophobicContact CB-CZ 3.81Å; L27-F44 HydrophobicContact CD2-CB 4.02Å; L27-F44 HydrophobicContact CD2-CD1 3.56Å; L27-F44 HydrophobicContact CD2-CD2 4.28Å; L27-F44 HydrophobicContact CD2-CE1 4.04Å; L27-F44 HydrophobicContact CD2-CG 3.68Å; L27-F44 HydrophobicContact CG-CD1 4.32Å; L27-F44 HydrophobicContact CG-CE1 4.34Å; V40-F44 WeakPolarHBondContact O-CB 3.31Å; V40-F44 PolarHBondContact O-N 2.91Å; F44-T49 WeakPolarHBondContact CD1-OG1 3.5Å
45	R	83.9	Confident	81.1	Confident	188 Å²	188	70.2 Å²	70.2	71%	0.709	36%	0.363	S	S	*	.			trans	-89.4	-27.2	-176	-61.8	-173.7	-177.3	-172.7	-0.4	114.8	Q42 I43	Q42-R45 WeakPolarHBondContact O-CG 3.17Å; Q42-R45 PolarHBondContact O-NE 3.08Å; I43-R45 PolarHBondContact O-N 3.15Å
46	D	83.5	Confident	81.8	Confident	124 Å²	124	68.2 Å²	68.2	66%	0.663	35%	0.352	S	S	*	.	S	Bend	trans	-92.3	3.1	-168.4	-62.2	-33.6	0	0	0	114.4	K23 G24	K23-D46 WeakPolarHBondContact CA-O 3.21Å; G24-D46 PolarHBondContact N-O 2.86Å
47	G	83.6	Confident	82.5	Confident	19 Å²	19	68.3 Å²	68.3	20%	0.196	35%	0.352	C	S	.	.	S	Bend	trans	-121.7	175	-177.7	0	0	0	0	0	113.7	S25	S25-G47 CarbonylContact O-C 3.6Å; S25-G47 WeakPolarHBondContact O-CA 3.42Å
48	R	88.6	Confident	82.9	Confident	158 Å²	158	71.7 Å²	71.7	60%	0.596	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.6	171.6	-68.2	174.9	-70.3	169	0	108.3	G24 S25 T26 L27	G24-R48 PolarHBondContact O-NE 2.74Å; G24-R48 PolarHBondContact O-NH2 2.92Å; G24-R48 VanDerWaalsContact O-NH2 3.12Å; S25-R48 PolarHBondContact O-N 3.3Å; T26-R48 CarbonylContact C-O 3.58Å; T26-R48 VanDerWaalsContact CA-O 3.25Å; T26-R48 WeakPolarHBondContact CA-O 3.22Å; T26-R48 VanDerWaalsContact OG1-CZ 3.31Å; T26-R48 PolarHBondContact OG1-NE 2.96Å; T26-R48 PolarHBondContact OG1-NH2 2.81Å; L27-R48 PolarHBondContact N-O 2.84Å
49	T	87.7	Confident	83.2	Confident	47 Å²	47	70.2 Å²	70.2	29%	0.288	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.3	176.8	-55.8	0	0	0	0	110.6	L27 I29 L41 F44	L27-T49 WeakPolarHBondContact O-CA 3.31Å; I29-T49 HydrophobicContact CD1-CG2 3.39Å; I29-T49 HydrophobicContact CG1-CG2 3.81Å; L41-T49 HydrophobicContact CD2-CG2 3.55Å; F44-T49 WeakPolarHBondContact CD1-OG1 3.5Å
50	K	87.2	Confident	83.3	Confident	78 Å²	78	72.6 Å²	72.6	34%	0.339	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.6	169.5	-71.6	177.8	176.2	-79	0	109.1	T26 L27 I28 I29 F69	T26-K50 HydrophobicContact CG2-CD 4.19Å; T26-K50 HydrophobicContact CG2-CG 4.5Å; L27-K50 PolarHBondContact O-N 2.74Å; I28-K50 CarbonylContact C-O 3.52Å; I28-K50 WeakPolarHBondContact CA-O 3.41Å; I28-K50 HydrophobicContact CD1-CB 3.6Å; I28-K50 HydrophobicContact CD1-CD 4.06Å; I28-K50 HydrophobicContact CD1-CG 4.36Å; I29-K50 PolarHBondContact N-O 2.82Å; K50-F69 HydrophobicContact CD-CB 3.89Å; K50-F69 HydrophobicContact CD-CD1 3.81Å; K50-F69 HydrophobicContact CD-CD2 3.81Å; K50-F69 HydrophobicContact CD-CE1 4.28Å; K50-F69 HydrophobicContact CD-CE2 4.29Å; K50-F69 HydrophobicContact CD-CG 3.53Å; K50-F69 VanDerWaalsContact CE-CG 3.47Å; K50-F69 VanDerWaalsContact NZ-CD1 3.29Å
51	M	85.6	Confident	83.6	Confident	76 Å²	76	74.1 Å²	74.1	37%	0.374	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.3	-176.2	-179.8	169.8	56.7	0	0	108.9	I29 L41	I29-M51 HydrophobicContact CB-CB 4.38Å; I29-M51 HydrophobicContact CB-CG 4.34Å; I29-M51 HydrophobicContact CG2-SD 4.37Å; I29-M51 WeakPolarHBondContact O-CA 3.43Å; L41-M51 HydrophobicContact CD1-CE 3.92Å
52	G	80.1	Confident	83.9	Confident	17 Å²	17	71.2 Å²	71.2	18%	0.175	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	163.3	174	0	0	0	0	0	112.2	S54 G55 M57	G52-S54 PolarHBondContact O-N 2.82Å; G52-G55 WeakPolarHBondContact O-CA 3.14Å; G52-G55 PolarHBondContact O-N 3.12Å; G52-M57 PolarHBondContact N-SD 2.9Å; G52-M57 VanDerWaalsContact N-SD 3.39Å
53	V	78.4	Confident	83.9	Confident	129 Å²	129	66.4 Å²	66.4	78%	0.782	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	127.7	175.5	-178	0	0	0	0	108.9	G55 L56	V53-G55 PolarHBondContact O-N 2.88Å; V53-L56 WeakPolarHBondContact O-CB 3.19Å; V53-L56 PolarHBondContact O-N 3.01Å
54	S	75.3	Confident	84.1	Confident	104 Å²	104	69.9 Å²	69.9	73%	0.727	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.1	20.9	-174.3	-50.5	0	0	0	0	115	G52 L56	G52-S54 PolarHBondContact O-N 2.82Å; S54-L56 PolarHBondContact O-N 2.88Å
55	G	75.5	Confident	84.3	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.9	5.6	-173.4	0	0	0	0	0	113.9	A31 G52 V53	A31-G55 CarbonylContact C-O 3.49Å; A31-G55 VanDerWaalsContact CA-O 3.31Å; A31-G55 WeakPolarHBondContact CA-O 3.26Å; A31-G55 VanDerWaalsContact CB-O 3.24Å; A31-G55 WeakPolarHBondContact CB-O 3.16Å; A31-G55 PolarHBondContact N-O 2.83Å; A31-G55 VanDerWaalsContact O-O 3.07Å; G52-G55 WeakPolarHBondContact O-CA 3.14Å; G52-G55 PolarHBondContact O-N 3.12Å; V53-G55 PolarHBondContact O-N 2.88Å
56	L	79.8	Confident	84.6	Confident	96 Å²	96	61.7 Å²	61.7	50%	0.503	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.2	-175.9	-67	169.6	0	0	0	111.4	A31 N32 G33 V53 S54	A31-L56 VanDerWaalsContact O-CA 3.29Å; A31-L56 WeakPolarHBondContact O-CA 3.47Å; N32-L56 VanDerWaalsContact C-CD2 3.45Å; G33-L56 VanDerWaalsContact N-CD2 3.25Å; V53-L56 WeakPolarHBondContact O-CB 3.19Å; V53-L56 PolarHBondContact O-N 3.01Å; S54-L56 PolarHBondContact O-N 2.88Å
57	M	85.2	Confident	84.8	Confident	20 Å²	20	62.5 Å²	62.5	10%	0.099	35%	0.346	C	S	.	.			trans	-148	134	168.1	-62.3	-176.9	65.4	0	0	110.4	I28 A31 G52 A61 V62 T65	I28-M57 HydrophobicContact CG2-CE 3.9Å; I28-M57 HydrophobicContact CG2-SD 3.86Å; A31-M57 PolarHBondContact O-N 3.36Å; A31-M57 VanDerWaalsContact O-N 3.13Å; G52-M57 PolarHBondContact N-SD 2.9Å; G52-M57 VanDerWaalsContact N-SD 3.39Å; M57-A61 HydrophobicContact CE-CB 4.3Å; M57-V62 HydrophobicContact CB-CG2 3.65Å; M57-V62 HydrophobicContact CE-CB 4.36Å; M57-V62 HydrophobicContact CE-CG2 3.85Å; M57-V62 HydrophobicContact SD-CG2 4.18Å; M57-T65 HydrophobicContact CE-CG2 4.18Å; M57-T65 WeakPolarHBondContact CE-OG1 3.27Å
58	T	83.3	Confident	85.2	Confident	85 Å²	85	67.7 Å²	67.7	52%	0.521	37%	0.365	S	S	.	.			trans	-75.2	156.5	171	65.2	0	0	0	0	110.2	P60 A61 V62	T58-P60 VanDerWaalsContact C-N 3.33Å; T58-A61 WeakPolarHBondContact O-CA 3.14Å; T58-A61 WeakPolarHBondContact O-CB 3.44Å; T58-A61 PolarHBondContact O-N 3.04Å; T58-A61 WeakPolarHBondContact OG1-CB 3.45Å; T58-A61 PolarHBondContact OG1-N 3.38Å; T58-V62 WeakPolarHBondContact O-CG2 3.5Å; T58-V62 PolarHBondContact O-N 2.89Å
59	T	83.2	Confident	85.3	Confident	61 Å²	61	64.2 Å²	64.2	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-53.6	-43.1	175.9	-53.4	0	0	0	0	113.3	A61 V62 S63 I76 M95	T59-A61 PolarHBondContact O-N 3.3Å; T59-V62 PolarHBondContact O-N 3.14Å; T59-S63 PolarHBondContact O-N 3.44Å; T59-I76 HydrophobicContact CG2-CD1 3.88Å; T59-M95 HydrophobicContact CG2-CE 3.25Å; T59-M95 HydrophobicContact CG2-SD 4.23Å
60	P	85.9	Confident	85.4	Confident	96 Å²	96	70.5 Å²	70.5	62%	0.623	38%	0.378	S	S	*	.	H	α-helix	trans	-62.3	-39.1	172.5	-24	35.5	0	0	0	113.5	T58 S63 L64	T58-P60 VanDerWaalsContact C-N 3.33Å; P60-S63 PolarHBondContact O-N 3.39Å; P60-L64 PolarHBondContact O-N 3Å
61	A	88.1	Confident	85.5	Confident	33 Å²	33	66.9 Å²	66.9	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-42.9	176.9	0	0	0	0	0	111.4	M57 T58 T59 S63 L64 T65	M57-A61 HydrophobicContact CE-CB 4.3Å; T58-A61 WeakPolarHBondContact O-CA 3.14Å; T58-A61 WeakPolarHBondContact O-CB 3.44Å; T58-A61 PolarHBondContact O-N 3.04Å; T58-A61 WeakPolarHBondContact OG1-CB 3.45Å; T58-A61 PolarHBondContact OG1-N 3.38Å; T59-A61 PolarHBondContact O-N 3.3Å; A61-S63 VanDerWaalsContact C-N 3.34Å; A61-S63 PolarHBondContact O-N 3.5Å; A61-L64 PolarHBondContact O-N 2.73Å; A61-T65 WeakPolarHBondContact O-CB 3.44Å; A61-T65 PolarHBondContact O-N 2.77Å; A61-T65 PolarHBondContact O-OG1 3.43Å
62	V	88.3	Confident	85.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-58.8	-48	174.1	174.2	0	0	0	0	110.4	I28 M57 T58 T59 L64 T65 I66 A74 I76 M95	I28-V62 HydrophobicContact CG2-CG1 4.07Å; I28-V62 HydrophobicContact CG2-CG2 4.49Å; M57-V62 HydrophobicContact CB-CG2 3.65Å; M57-V62 HydrophobicContact CE-CB 4.36Å; M57-V62 HydrophobicContact CE-CG2 3.85Å; M57-V62 HydrophobicContact SD-CG2 4.18Å; T58-V62 WeakPolarHBondContact O-CG2 3.5Å; T58-V62 PolarHBondContact O-N 2.89Å; T59-V62 PolarHBondContact O-N 3.14Å; V62-L64 VanDerWaalsContact C-N 3.28Å; V62-L64 PolarHBondContact O-N 3.38Å; V62-T65 PolarHBondContact O-N 2.86Å; V62-I66 HydrophobicContact CG1-CD1 4.01Å; V62-I66 HydrophobicContact CG1-CG1 4.39Å; V62-I66 VanDerWaalsContact O-CG1 3.28Å; V62-I66 WeakPolarHBondContact O-CG1 3.46Å; V62-I66 PolarHBondContact O-N 2.76Å; V62-A74 HydrophobicContact CG1-CB 3.63Å; V62-I76 HydrophobicContact CB-CD1 3.96Å; V62-I76 HydrophobicContact CB-CG1 4.34Å; V62-I76 HydrophobicContact CG1-CD1 3.88Å; V62-I76 HydrophobicContact CG1-CG1 3.99Å; V62-I76 HydrophobicContact CG2-CD1 4.13Å; V62-I76 HydrophobicContact CG2-CG1 4.14Å; V62-M95 HydrophobicContact CG1-SD 4.42Å
63	S	87.4	Confident	86.1	Confident	20 Å²	20	65.6 Å²	65.6	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-59.2	-38.2	178.2	-161.4	0	0	0	0	112.6	T59 P60 A61 R67	T59-S63 PolarHBondContact O-N 3.44Å; P60-S63 PolarHBondContact O-N 3.39Å; A61-S63 VanDerWaalsContact C-N 3.34Å; A61-S63 PolarHBondContact O-N 3.5Å; S63-R67 PolarHBondContact O-NH1 3.42Å; S63-R67 PolarHBondContact OG-NH1 2.71Å; S63-R67 PolarHBondContact OG-NH2 3.27Å
64	L	90.3	Very high	86.6	Confident	108 Å²	108	59.4 Å²	59.4	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-67.1	-49.1	174.9	-179.9	64	0	0	0	111.4	P60 A61 V62 I66 R67 E68	P60-L64 PolarHBondContact O-N 3Å; A61-L64 PolarHBondContact O-N 2.73Å; V62-L64 VanDerWaalsContact C-N 3.28Å; V62-L64 PolarHBondContact O-N 3.38Å; L64-I66 VanDerWaalsContact C-N 3.3Å; L64-I66 PolarHBondContact O-N 3.44Å; L64-R67 PolarHBondContact O-N 3.46Å; L64-E68 PolarHBondContact O-N 2.94Å
65	T	90	Very high	87.3	Confident	22 Å²	22	54.5 Å²	54.5	14%	0.135	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-36.3	-178.9	-56.7	0	0	0	0	112.2	I28 M57 A61 V62 R67 E68 F69	I28-T65 HydrophobicContact CD1-CG2 3.55Å; I28-T65 HydrophobicContact CG1-CG2 4.03Å; I28-T65 HydrophobicContact CG2-CG2 4.07Å; M57-T65 HydrophobicContact CE-CG2 4.18Å; M57-T65 WeakPolarHBondContact CE-OG1 3.27Å; A61-T65 WeakPolarHBondContact O-CB 3.44Å; A61-T65 PolarHBondContact O-N 2.77Å; A61-T65 PolarHBondContact O-OG1 3.43Å; V62-T65 PolarHBondContact O-N 2.86Å; T65-R67 VanDerWaalsContact C-N 3.3Å; T65-R67 PolarHBondContact O-N 3.06Å; T65-E68 PolarHBondContact O-N 3.22Å; T65-F69 HydrophobicContact CG2-CD2 3.47Å; T65-F69 VanDerWaalsContact CG2-CD2 3.47Å; T65-F69 HydrophobicContact CG2-CE2 3.85Å; T65-F69 WeakPolarHBondContact O-CB 3.21Å; T65-F69 WeakPolarHBondContact O-CD2 3.46Å; T65-F69 PolarHBondContact O-N 3.29Å
66	I	89.5	Confident	87.7	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-47	173.2	-69.1	165.8	0	0	0	110.5	I28 V62 L64 K70 A71 A74 M95 A97	I28-I66 HydrophobicContact CB-CG1 4.49Å; I28-I66 HydrophobicContact CG1-CG1 3.93Å; V62-I66 HydrophobicContact CG1-CD1 4.01Å; V62-I66 HydrophobicContact CG1-CG1 4.39Å; V62-I66 VanDerWaalsContact O-CG1 3.28Å; V62-I66 WeakPolarHBondContact O-CG1 3.46Å; V62-I66 PolarHBondContact O-N 2.76Å; L64-I66 VanDerWaalsContact C-N 3.3Å; L64-I66 PolarHBondContact O-N 3.44Å; I66-K70 CarbonylContact O-C 3.51Å; I66-K70 WeakPolarHBondContact O-CA 3.25Å; I66-K70 PolarHBondContact O-N 3.38Å; I66-A71 HydrophobicContact CB-CB 4.38Å; I66-A71 HydrophobicContact CG1-CB 4.32Å; I66-A71 HydrophobicContact CG2-CB 4.33Å; I66-A71 PolarHBondContact O-N 2.79Å; I66-A74 HydrophobicContact CD1-CB 3.54Å; I66-A74 HydrophobicContact CG1-CB 3.88Å; I66-M95 HydrophobicContact CD1-CB 4.05Å; I66-A97 WeakPolarHBondContact CG2-O 3.34Å
67	R	88.8	Confident	87.8	Confident	141 Å²	141	50 Å²	50	53%	0.532	26%	0.257	S	S	.	.	H	α-helix	trans	-71.1	-42.7	-178.8	-64.6	-177.1	-173.8	91.8	4.3	112.3	S63 L64 T65 M98	S63-R67 PolarHBondContact O-NH1 3.42Å; S63-R67 PolarHBondContact OG-NH1 2.71Å; S63-R67 PolarHBondContact OG-NH2 3.27Å; L64-R67 PolarHBondContact O-N 3.46Å; T65-R67 VanDerWaalsContact C-N 3.3Å; T65-R67 PolarHBondContact O-N 3.06Å; R67-M98 PolarHBondContact NH2-O 3.32Å
68	E	91	Very high	87.3	Confident	128 Å²	128	49.9 Å²	49.9	60%	0.598	26%	0.258	S	S	*	.	H	α-helix	trans	-63.8	-44.1	-178.6	-173.8	178.8	175.2	0	0	112	L64 T65	L64-E68 PolarHBondContact O-N 2.94Å; T65-E68 PolarHBondContact O-N 3.22Å
69	F	89.8	Confident	86.5	Confident	85 Å²	85	46.1 Å²	46.1	37%	0.373	24%	0.235	S	C	.	.	H	α-helix	trans	-97.4	2.8	-177.6	-66.5	-75.2	0	0	0	114.1	K50 T65 A71	K50-F69 HydrophobicContact CD-CB 3.89Å; K50-F69 HydrophobicContact CD-CD1 3.81Å; K50-F69 HydrophobicContact CD-CD2 3.81Å; K50-F69 HydrophobicContact CD-CE1 4.28Å; K50-F69 HydrophobicContact CD-CE2 4.29Å; K50-F69 HydrophobicContact CD-CG 3.53Å; K50-F69 VanDerWaalsContact CE-CG 3.47Å; K50-F69 VanDerWaalsContact NZ-CD1 3.29Å; T65-F69 HydrophobicContact CG2-CD2 3.47Å; T65-F69 VanDerWaalsContact CG2-CD2 3.47Å; T65-F69 HydrophobicContact CG2-CE2 3.85Å; T65-F69 WeakPolarHBondContact O-CB 3.21Å; T65-F69 WeakPolarHBondContact O-CD2 3.46Å; T65-F69 PolarHBondContact O-N 3.29Å; F69-A71 PolarHBondContact O-N 2.86Å
70	K	90	Very high	85.7	Confident	179 Å²	179	47.3 Å²	47.3	78%	0.778	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	49.5	-172.9	-58.3	-178.5	179.6	-178.7	0	111.1	I66	I66-K70 CarbonylContact O-C 3.51Å; I66-K70 WeakPolarHBondContact O-CA 3.25Å; I66-K70 PolarHBondContact O-N 3.38Å
71	A	90.2	Very high	84.8	Confident	2 Å²	2	51.8 Å²	51.8	2%	0.017	26%	0.258	C	S	.	.			trans	-67.5	147	179.6	0	0	0	0	0	110.9	T26 I28 I66 F69 A97	T26-A71 HydrophobicContact CG2-CB 4.12Å; T26-A71 WeakPolarHBondContact O-CB 3.4Å; I28-A71 HydrophobicContact CD1-CB 3.72Å; I28-A71 HydrophobicContact CG1-CB 3.5Å; I66-A71 HydrophobicContact CB-CB 4.38Å; I66-A71 HydrophobicContact CG1-CB 4.32Å; I66-A71 HydrophobicContact CG2-CB 4.33Å; I66-A71 PolarHBondContact O-N 2.79Å; F69-A71 PolarHBondContact O-N 2.86Å; A71-A97 WeakPolarHBondContact O-CA 3.49Å; A71-A97 VanDerWaalsContact O-CB 3.27Å; A71-A97 WeakPolarHBondContact O-CB 3.32Å
72	D	90	Very high	83.5	Confident	63 Å²	63	51.8 Å²	51.8	34%	0.337	26%	0.257	S	S	.	.	S	Bend	trans	-82.5	-32.8	-177.6	-62	-82.8	0	0	0	111.4	L18 S25 T26 A97	L18-D72 HydrophobicContact CD2-CB 3.62Å; S25-D72 WeakPolarHBondContact CA-OD2 3.23Å; S25-D72 VanDerWaalsContact CB-OD2 3.28Å; S25-D72 WeakPolarHBondContact CB-OD2 3.34Å; T26-D72 PolarHBondContact N-OD2 2.97Å; T26-D72 PolarHBondContact O-N 2.93Å; D72-A97 PolarHBondContact O-N 3.35Å
73	D	88.8	Confident	82.1	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	167.6	-179.3	-155.1	-19	0	0	0	110.1	L18 L27 I28 M95	L18-D73 HydrophobicContact CD1-CB 4.37Å; L18-D73 HydrophobicContact CD2-CB 3.8Å; L18-D73 HydrophobicContact CG-CB 4.04Å; L27-D73 WeakPolarHBondContact CA-O 3.44Å; L27-D73 HydrophobicContact CD1-CB 3.95Å; I28-D73 PolarHBondContact N-O 3.45Å; D73-M95 CarbonylContact C-O 3.49Å
74	A	89.3	Confident	80.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143.7	173.8	0	0	0	0	0	112.5	I28 V62 I66 S94 M95	I28-A74 HydrophobicContact CB-CB 3.76Å; I28-A74 HydrophobicContact CG1-CB 4.48Å; I28-A74 CarbonylContact O-C 3.49Å; I28-A74 WeakPolarHBondContact O-CA 3.45Å; I28-A74 WeakPolarHBondContact O-CB 3.28Å; V62-A74 HydrophobicContact CG1-CB 3.63Å; I66-A74 HydrophobicContact CD1-CB 3.54Å; I66-A74 HydrophobicContact CG1-CB 3.88Å; A74-S94 CarbonylContact O-C 3.26Å; A74-S94 VanDerWaalsContact O-CA 3.26Å; A74-S94 WeakPolarHBondContact O-CA 3.41Å; A74-M95 HydrophobicContact CB-CB 4.25Å; A74-M95 PolarHBondContact N-O 2.94Å; A74-M95 PolarHBondContact O-N 3.02Å
75	I	88.1	Confident	79.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.1	174.2	-67	172.5	0	0	0	108.9	I10 I13 L14 L27 I28 I29 G30 V40 L77 I92 S93	I10-I75 HydrophobicContact CG2-CD1 4.08Å; I13-I75 HydrophobicContact CG2-CD1 4.33Å; I13-I75 HydrophobicContact CG2-CG1 4.28Å; L14-I75 HydrophobicContact CD2-CD1 3.98Å; L14-I75 HydrophobicContact CG-CD1 4.32Å; L27-I75 HydrophobicContact CD1-CD1 4.42Å; L27-I75 HydrophobicContact CD1-CG1 4.28Å; L27-I75 HydrophobicContact CD2-CD1 4.32Å; I28-I75 PolarHBondContact O-N 3.21Å; I29-I75 WeakPolarHBondContact CA-O 3.32Å; G30-I75 PolarHBondContact N-O 2.97Å; V40-I75 HydrophobicContact CG1-CD1 3.84Å; V40-I75 HydrophobicContact CG2-CD1 4.4Å; V40-I75 HydrophobicContact CG2-CG2 4.19Å; I75-L77 HydrophobicContact CG2-CD2 3.76Å; I75-L77 HydrophobicContact CG2-CG 4.22Å; I75-I92 HydrophobicContact CG2-CG2 4.04Å; I75-S93 CarbonylContact C-O 3.55Å; I75-S93 WeakPolarHBondContact CA-O 3.28Å
76	I	85.6	Confident	77.7	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.3	176.6	-49.9	-174.5	0	0	0	109.6	G30 T59 V62 T78 S93 M95	G30-I76 CarbonylContact O-C 3.55Å; G30-I76 VanDerWaalsContact O-CA 3.28Å; G30-I76 WeakPolarHBondContact O-CA 3.39Å; T59-I76 HydrophobicContact CG2-CD1 3.88Å; V62-I76 HydrophobicContact CB-CD1 3.96Å; V62-I76 HydrophobicContact CB-CG1 4.34Å; V62-I76 HydrophobicContact CG1-CD1 3.88Å; V62-I76 HydrophobicContact CG1-CG1 3.99Å; V62-I76 HydrophobicContact CG2-CD1 4.13Å; V62-I76 HydrophobicContact CG2-CG1 4.14Å; I76-T78 HydrophobicContact CG2-CG2 3.6Å; I76-T78 PolarHBondContact O-N 2.87Å; I76-S93 PolarHBondContact N-O 2.82Å; I76-S93 PolarHBondContact O-N 3.38Å; I76-M95 HydrophobicContact CD1-CE 3.78Å; I76-M95 HydrophobicContact CD1-CG 4.02Å; I76-M95 HydrophobicContact CD1-SD 3.44Å; I76-M95 WeakPolarHBondContact CD1-SD 3.39Å; I76-M95 HydrophobicContact CG1-SD 4.48Å
77	L	80.6	Confident	76.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	84	178.7	-54.1	172.4	0	0	0	108.8	I29 G30 A31 N32 L36 V40 I75 F90 G91 I92	I29-L77 HydrophobicContact CG2-CD1 4.48Å; G30-L77 PolarHBondContact O-N 2.91Å; A31-L77 WeakPolarHBondContact CA-O 3.37Å; A31-L77 HydrophobicContact CB-CB 3.77Å; A31-L77 HydrophobicContact CB-CD1 4.14Å; A31-L77 HydrophobicContact CB-CG 4.42Å; N32-L77 PolarHBondContact N-O 3.45Å; L36-L77 HydrophobicContact CB-CD1 3.69Å; L36-L77 HydrophobicContact CB-CD2 4.19Å; L36-L77 HydrophobicContact CB-CG 4.47Å; V40-L77 HydrophobicContact CG2-CD1 4.41Å; V40-L77 HydrophobicContact CG2-CD2 4.43Å; I75-L77 HydrophobicContact CG2-CD2 3.76Å; I75-L77 HydrophobicContact CG2-CG 4.22Å; L77-F90 HydrophobicContact CB-CE2 4.09Å; L77-F90 HydrophobicContact CB-CZ 3.86Å; L77-F90 HydrophobicContact CD2-CZ 3.82Å; L77-F90 HydrophobicContact CG-CZ 4.33Å; L77-G91 CarbonylContact C-O 3.47Å; L77-G91 WeakPolarHBondContact CA-O 3.47Å; L77-I92 HydrophobicContact CD2-CB 4.46Å; L77-I92 HydrophobicContact CD2-CG1 4.03Å; L77-I92 HydrophobicContact CD2-CG2 4.07Å
78	T	74.3	Confident	75	Confident	18 Å²	18	58.4 Å²	58.4	11%	0.11	32%	0.323	C	S	.	.			trans	-139	138.1	-176.4	-176.6	0	0	0	0	111.5	N32 I76 S80 G91	N32-T78 PolarHBondContact ND2-OG1 2.94Å; I76-T78 HydrophobicContact CG2-CG2 3.6Å; I76-T78 PolarHBondContact O-N 2.87Å; T78-S80 VanDerWaalsContact C-N 3.26Å; T78-S80 PolarHBondContact O-N 2.84Å; T78-S80 PolarHBondContact OG1-N 3.04Å; T78-G91 CarbonylContact C-O 3.52Å; T78-G91 PolarHBondContact N-O 3.48Å; T78-G91 CarbonylContact O-C 3.54Å; T78-G91 VanDerWaalsContact O-C 3.26Å; T78-G91 WeakPolarHBondContact O-CA 3.28Å; T78-G91 PolarHBondContact O-N 3.32Å; T78-G91 VanDerWaalsContact O-O 3.08Å
79	A	66.5	Low	73.8	Confident	5 Å²	5	53.1 Å²	53.1	4%	0.041	30%	0.299	C	S	.	.			trans	-89.1	18	174.2	0	0	0	0	0	112.9	Q81 S82 D89 L106	A79-Q81 PolarHBondContact O-N 3.4Å; A79-S82 WeakPolarHBondContact O-CB 3.44Å; A79-S82 PolarHBondContact O-N 2.93Å; A79-D89 WeakPolarHBondContact CB-O 3.07Å; A79-L106 HydrophobicContact CB-CD1 4.37Å
80	S	67.5	Low	72.9	Confident	86 Å²	86	49.4 Å²	49.4	60%	0.601	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	-111.9	-178.4	-172.8	0	0	0	0	112.5	T78	T78-S80 VanDerWaalsContact C-N 3.26Å; T78-S80 PolarHBondContact O-N 2.84Å; T78-S80 PolarHBondContact OG1-N 3.04Å
81	Q	66	Low	72.1	Confident	190 Å²	190	41 Å²	41	89%	0.888	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.4	-179.3	-64.4	178.1	-4.5	0	0	113.5	A79	A79-Q81 PolarHBondContact O-N 3.4Å
82	S	61.8	Low	71.5	Confident	34 Å²	34	40.9 Å²	40.9	24%	0.238	25%	0.246	C	C	.	.	S	Bend	trans	-78.9	144.9	-179.7	-70.3	0	0	0	0	112.3	A79 G84 D89 L106	A79-S82 WeakPolarHBondContact O-CB 3.44Å; A79-S82 PolarHBondContact O-N 2.93Å; S82-G84 PolarHBondContact O-N 3.17Å; S82-G84 VanDerWaalsContact O-N 3.17Å; S82-D89 WeakPolarHBondContact CB-OD2 3.49Å; S82-D89 PolarHBondContact OG-OD2 2.85Å; S82-L106 VanDerWaalsContact OG-CD2 3.23Å; S82-L106 WeakPolarHBondContact OG-CD2 3.47Å
83	P	58.4	Low	70.9	Confident	95 Å²	95	38 Å²	38	62%	0.617	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-60.2	122.1	174.8	23.8	-31	0	0	0	110	G88 D89	P83-G88 CarbonylContact O-C 3.52Å; P83-G88 VanDerWaalsContact O-CA 3.24Å; P83-G88 WeakPolarHBondContact O-CA 3.26Å; P83-D89 PolarHBondContact O-N 3.01Å
84	G	60.7	Low	70.6	Confident	45 Å²	45	38 Å²	38	46%	0.464	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-77.7	166.6	171.3	0	0	0	0	0	112.7	S82	S82-G84 PolarHBondContact O-N 3.17Å; S82-G84 VanDerWaalsContact O-N 3.17Å
85	G	57	Low	70.2	Confident	42 Å²	42	38.7 Å²	38.7	43%	0.433	24%	0.235	S	C	.	.	S	Bend	trans	142.7	174.6	174.1	0	0	0	0	0	111.9	N87 G88	G85-N87 PolarHBondContact O-N 3.3Å; G85-G88 PolarHBondContact O-N 3.41Å
86	H	58.1	Low	69.8	Low	142 Å²	142	42.6 Å²	42.6	66%	0.657	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-37.3	173.8	165.5	77.1	0	0	0	112.4	I111	H86-I111 WeakPolarHBondContact CE1-CD1 3.42Å; H86-I111 WeakPolarHBondContact O-CD1 3.37Å
87	N	61.6	Low	69.3	Low	98 Å²	98	45 Å²	45	52%	0.524	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	10.5	174.6	-65.9	-15.7	0	0	0	113.2	G85	G85-N87 PolarHBondContact O-N 3.3Å
88	G	60.3	Low	68.9	Low	8 Å²	8	52.4 Å²	52.4	8%	0.082	31%	0.31	C	S	.	.	S	Bend	trans	-86.8	174.8	-176.6	0	0	0	0	0	112.1	P83 G85 T109	P83-G88 CarbonylContact O-C 3.52Å; P83-G88 VanDerWaalsContact O-CA 3.24Å; P83-G88 WeakPolarHBondContact O-CA 3.26Å; G85-G88 PolarHBondContact O-N 3.41Å; G88-T109 VanDerWaalsContact O-CB 3.26Å; G88-T109 WeakPolarHBondContact O-CB 3.46Å; G88-T109 PolarHBondContact O-N 3.19Å; G88-T109 PolarHBondContact O-OG1 2.87Å
89	D	66.2	Low	68.5	Low	18 Å²	18	52.1 Å²	52.1	10%	0.096	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	151.7	172.1	-55.1	-28.4	0	0	0	109.7	R34 A79 S82 P83 L106 L107 R108	R34-D89 PolarHBondContact NH1-O 3.47Å; A79-D89 WeakPolarHBondContact CB-O 3.07Å; S82-D89 WeakPolarHBondContact CB-OD2 3.49Å; S82-D89 PolarHBondContact OG-OD2 2.85Å; P83-D89 PolarHBondContact O-N 3.01Å; D89-L106 HydrophobicContact CB-CD1 3.73Å; D89-L106 HydrophobicContact CB-CD2 4.26Å; D89-L106 HydrophobicContact CB-CG 3.97Å; D89-L107 CarbonylContact C-O 3.52Å; D89-L107 WeakPolarHBondContact CA-O 3.47Å; D89-R108 WeakPolarHBondContact OD1-CA 3.24Å; D89-R108 WeakPolarHBondContact OD1-CB 3.29Å; D89-R108 WeakPolarHBondContact OD1-CG 3.31Å; D89-R108 IonicContact OD1-NE 3.99Å; D89-R108 PolarHBondContact OD1-NE 3.39Å
90	F	69.4	Low	68.6	Low	6 Å²	6	54.4 Å²	54.4	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.5	175.7	176.4	-98.1	0	0	0	108.6	M1 R34 L36 L77 I92 L107	M1-F90 HydrophobicContact CE-CD1 3.97Å; R34-F90 HydrophobicContact CB-CE2 4.24Å; L36-F90 HydrophobicContact CB-CE1 4.44Å; L36-F90 HydrophobicContact CB-CE2 4.41Å; L36-F90 HydrophobicContact CB-CZ 3.83Å; L36-F90 HydrophobicContact CD1-CD1 3.54Å; L36-F90 HydrophobicContact CD1-CD2 3.98Å; L36-F90 HydrophobicContact CD1-CE1 3.07Å; L36-F90 HydrophobicContact CD1-CE2 3.59Å; L36-F90 HydrophobicContact CD1-CG 3.96Å; L36-F90 HydrophobicContact CD1-CZ 3.11Å; L36-F90 HydrophobicContact CG-CE1 4.22Å; L36-F90 HydrophobicContact CG-CZ 4.01Å; L77-F90 HydrophobicContact CB-CE2 4.09Å; L77-F90 HydrophobicContact CB-CZ 3.86Å; L77-F90 HydrophobicContact CD2-CZ 3.82Å; L77-F90 HydrophobicContact CG-CZ 4.33Å; F90-I92 HydrophobicContact CD1-CG1 4.11Å; F90-I92 HydrophobicContact CE1-CD1 3.81Å; F90-I92 HydrophobicContact CE1-CG1 3.22Å; F90-I92 HydrophobicContact CZ-CG1 3.91Å; F90-L107 PolarHBondContact N-O 3.01Å; F90-L107 WeakPolarHBondContact O-CA 3.41Å; F90-L107 WeakPolarHBondContact O-CB 3.21Å; F90-L107 PolarHBondContact O-N 3.13Å
91	G	73	Confident	68.6	Low	2 Å²	2	56.3 Å²	56.3	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.8	177.5	0	0	0	0	0	112.6	L77 T78 V105	L77-G91 CarbonylContact C-O 3.47Å; L77-G91 WeakPolarHBondContact CA-O 3.47Å; T78-G91 CarbonylContact C-O 3.52Å; T78-G91 PolarHBondContact N-O 3.48Å; T78-G91 CarbonylContact O-C 3.54Å; T78-G91 VanDerWaalsContact O-C 3.26Å; T78-G91 WeakPolarHBondContact O-CA 3.28Å; T78-G91 PolarHBondContact O-N 3.32Å; T78-G91 VanDerWaalsContact O-O 3.08Å; G91-V105 CarbonylContact C-O 3.51Å; G91-V105 WeakPolarHBondContact CA-O 3.5Å
92	I	77.4	Confident	68.6	Low	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.2	168.1	-53.9	173.7	0	0	0	106.5	A6 F9 I10 I13 I75 L77 F90 S104 V105	A6-I92 HydrophobicContact CB-CD1 4.25Å; F9-I92 HydrophobicContact CD1-CB 3.9Å; F9-I92 HydrophobicContact CD1-CD1 3.77Å; F9-I92 HydrophobicContact CD1-CG1 4.38Å; F9-I92 HydrophobicContact CD1-CG2 3.95Å; F9-I92 HydrophobicContact CE1-CB 3.76Å; F9-I92 HydrophobicContact CE1-CG2 3.85Å; I10-I92 HydrophobicContact CD1-CD1 4.32Å; I10-I92 HydrophobicContact CG1-CD1 4.05Å; I13-I92 HydrophobicContact CD1-CG2 3.87Å; I75-I92 HydrophobicContact CG2-CG2 4.04Å; L77-I92 HydrophobicContact CD2-CB 4.46Å; L77-I92 HydrophobicContact CD2-CG1 4.03Å; L77-I92 HydrophobicContact CD2-CG2 4.07Å; F90-I92 HydrophobicContact CD1-CG1 4.11Å; F90-I92 HydrophobicContact CE1-CD1 3.81Å; F90-I92 HydrophobicContact CE1-CG1 3.22Å; F90-I92 HydrophobicContact CZ-CG1 3.91Å; I92-S104 CarbonylContact O-C 3.54Å; I92-S104 VanDerWaalsContact O-CA 3.29Å; I92-S104 WeakPolarHBondContact O-CA 3.35Å; I92-V105 HydrophobicContact CB-CG1 4.14Å; I92-V105 PolarHBondContact N-O 3.44Å; I92-V105 PolarHBondContact O-N 2.9Å
93	S	79.5	Confident	68.9	Low	2 Å²	2	52.1 Å²	52.1	1%	0.014	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.7	175.2	-55.4	0	0	0	0	110.9	I75 I76 R101 A103 S104	I75-S93 CarbonylContact C-O 3.55Å; I75-S93 WeakPolarHBondContact CA-O 3.28Å; I76-S93 PolarHBondContact N-O 2.82Å; I76-S93 PolarHBondContact O-N 3.38Å; S93-R101 PolarHBondContact OG-NE 2.98Å; S93-R101 PolarHBondContact OG-NH2 3.23Å; S93-A103 CarbonylContact C-O 3.59Å; S93-A103 WeakPolarHBondContact CA-O 3.35Å; S93-S104 WeakPolarHBondContact OG-CB 3.44Å
94	S	81	Confident	69.4	Low	5 Å²	5	51 Å²	51	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	151.3	173.3	61	0	0	0	0	111.9	A74 R101 L102 A103	A74-S94 CarbonylContact O-C 3.26Å; A74-S94 VanDerWaalsContact O-CA 3.26Å; A74-S94 WeakPolarHBondContact O-CA 3.41Å; S94-R101 WeakPolarHBondContact O-CA 3.13Å; S94-L102 PolarHBondContact O-N 2.89Å; S94-L102 VanDerWaalsContact O-N 3.08Å; S94-A103 PolarHBondContact N-O 2.91Å; S94-A103 PolarHBondContact OG-N 2.98Å
95	M	80.7	Confident	69.8	Low	13 Å²	13	50.1 Å²	50.1	6%	0.064	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127	173.1	-65	-171.1	155.9	0	0	110.9	T59 V62 I66 D73 A74 I76 A100 R101	T59-M95 HydrophobicContact CG2-CE 3.25Å; T59-M95 HydrophobicContact CG2-SD 4.23Å; V62-M95 HydrophobicContact CG1-SD 4.42Å; I66-M95 HydrophobicContact CD1-CB 4.05Å; D73-M95 CarbonylContact C-O 3.49Å; A74-M95 HydrophobicContact CB-CB 4.25Å; A74-M95 PolarHBondContact N-O 2.94Å; A74-M95 PolarHBondContact O-N 3.02Å; I76-M95 HydrophobicContact CD1-CE 3.78Å; I76-M95 HydrophobicContact CD1-CG 4.02Å; I76-M95 HydrophobicContact CD1-SD 3.44Å; I76-M95 WeakPolarHBondContact CD1-SD 3.39Å; I76-M95 HydrophobicContact CG1-SD 4.48Å; M95-A100 WeakPolarHBondContact CA-O 3.34Å; M95-R101 HydrophobicContact CE-CB 4.2Å; M95-R101 HydrophobicContact CG-CB 4.48Å
96	E	80	Confident	70.2	Confident	83 Å²	83	52.4 Å²	52.4	39%	0.388	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	171.5	176.7	-74.3	178.9	148.3	0	0	112.7	M98 G99 A100 L102	E96-M98 PolarHBondContact O-N 3.23Å; E96-G99 WeakPolarHBondContact O-CA 3.48Å; E96-G99 PolarHBondContact O-N 2.92Å; E96-A100 PolarHBondContact N-O 3.22Å; E96-A100 VanDerWaalsContact N-O 3.15Å; E96-L102 VanDerWaalsContact CD-CD1 3.42Å; E96-L102 HydrophobicContact CG-CD1 3.28Å; E96-L102 HydrophobicContact CG-CD2 4.2Å; E96-L102 HydrophobicContact CG-CG 3.61Å; E96-L102 WeakPolarHBondContact OE1-CD1 3.24Å
97	A	75.8	Confident	70.5	Confident	53 Å²	53	46.7 Å²	46.7	44%	0.438	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-21.5	172.7	0	0	0	0	0	116	I66 A71 D72 G99	I66-A97 WeakPolarHBondContact CG2-O 3.34Å; A71-A97 WeakPolarHBondContact O-CA 3.49Å; A71-A97 VanDerWaalsContact O-CB 3.27Å; A71-A97 WeakPolarHBondContact O-CB 3.32Å; D72-A97 PolarHBondContact O-N 3.35Å; A97-G99 VanDerWaalsContact C-N 3.34Å
98	M	71	Confident	70.5	Confident	155 Å²	155	48.5 Å²	48.5	76%	0.764	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.4	174.5	-68.1	-171.8	168.3	0	0	114	R67 E96 A100	R67-M98 PolarHBondContact NH2-O 3.32Å; E96-M98 PolarHBondContact O-N 3.23Å; M98-A100 VanDerWaalsContact C-N 3.3Å
99	G	66.3	Low	70.3	Confident	13 Å²	13	49.3 Å²	49.3	13%	0.134	27%	0.268	C	S	.	.	S	Bend	trans	78.2	11.4	-174.8	0	0	0	0	0	114	E96 A97	E96-G99 WeakPolarHBondContact O-CA 3.48Å; E96-G99 PolarHBondContact O-N 2.92Å; A97-G99 VanDerWaalsContact C-N 3.34Å
100	A	69.4	Low	69.4	Low	53 Å²	53	55.3 Å²	55.3	44%	0.438	29%	0.294	S	S	.	.			trans	-83.6	140.8	174	0	0	0	0	0	110.3	M95 E96 M98	M95-A100 WeakPolarHBondContact CA-O 3.34Å; E96-A100 PolarHBondContact N-O 3.22Å; E96-A100 VanDerWaalsContact N-O 3.15Å; M98-A100 VanDerWaalsContact C-N 3.3Å
101	R	66.3	Low	68.2	Low	125 Å²	125	59 Å²	59	47%	0.472	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.4	177.3	-167.4	-179.5	-170.9	176.7	-1.2	109.5	S93 S94 M95	S93-R101 PolarHBondContact OG-NE 2.98Å; S93-R101 PolarHBondContact OG-NH2 3.23Å; S94-R101 WeakPolarHBondContact O-CA 3.13Å; M95-R101 HydrophobicContact CE-CB 4.2Å; M95-R101 HydrophobicContact CG-CB 4.48Å
102	L	67	Low	66.3	Low	98 Å²	98	69.6 Å²	69.6	51%	0.513	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-58.7	178.4	-78.2	-176.7	0	0	0	112.5	S94 E96	S94-L102 PolarHBondContact O-N 2.89Å; S94-L102 VanDerWaalsContact O-N 3.08Å; E96-L102 VanDerWaalsContact CD-CD1 3.42Å; E96-L102 HydrophobicContact CG-CD1 3.28Å; E96-L102 HydrophobicContact CG-CD2 4.2Å; E96-L102 HydrophobicContact CG-CG 3.61Å; E96-L102 WeakPolarHBondContact OE1-CD1 3.24Å
103	A	67.4	Low	65.8	Low	38 Å²	38	73.1 Å²	73.1	31%	0.314	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.4	-172.5	0	0	0	0	0	109.5	S93 S94	S93-A103 CarbonylContact C-O 3.59Å; S93-A103 WeakPolarHBondContact CA-O 3.35Å; S94-A103 PolarHBondContact N-O 2.91Å; S94-A103 PolarHBondContact OG-N 2.98Å
104	S	69.5	Low	65	Low	72 Å²	72	76.8 Å²	76.8	50%	0.503	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	131.2	166.6	60.3	0	0	0	0	110	I92 S93	I92-S104 CarbonylContact O-C 3.54Å; I92-S104 VanDerWaalsContact O-CA 3.29Å; I92-S104 WeakPolarHBondContact O-CA 3.35Å; S93-S104 WeakPolarHBondContact OG-CB 3.44Å
105	V	68.7	Low	64.2	Low	26 Å²	26	80.8 Å²	80.8	16%	0.158	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.6	165.6	72.7	0	0	0	0	108.1	F9 G91 I92 L107	F9-V105 HydrophobicContact CD1-CG1 3.62Å; F9-V105 HydrophobicContact CD2-CB 4.44Å; F9-V105 HydrophobicContact CD2-CG1 4.08Å; F9-V105 HydrophobicContact CE1-CB 3.98Å; F9-V105 HydrophobicContact CE1-CG1 3.25Å; F9-V105 HydrophobicContact CE2-CB 3.8Å; F9-V105 HydrophobicContact CE2-CG1 3.78Å; F9-V105 HydrophobicContact CE2-CG2 4.5Å; F9-V105 HydrophobicContact CG-CG1 4.01Å; F9-V105 HydrophobicContact CZ-CB 3.53Å; F9-V105 HydrophobicContact CZ-CG1 3.36Å; G91-V105 CarbonylContact C-O 3.51Å; G91-V105 WeakPolarHBondContact CA-O 3.5Å; I92-V105 HydrophobicContact CB-CG1 4.14Å; I92-V105 PolarHBondContact N-O 3.44Å; I92-V105 PolarHBondContact O-N 2.9Å; V105-L107 HydrophobicContact CG1-CD1 4.2Å; V105-L107 HydrophobicContact CG1-CG 4.12Å; V105-L107 HydrophobicContact CG2-CD2 4Å; V105-L107 HydrophobicContact CG2-CG 4.15Å
106	L	66.3	Low	63.2	Low	90 Å²	90	84.8 Å²	84.8	47%	0.471	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.8	166.5	-173.6	73.5	0	0	0	107.2	A79 S82 D89	A79-L106 HydrophobicContact CB-CD1 4.37Å; S82-L106 VanDerWaalsContact OG-CD2 3.23Å; S82-L106 WeakPolarHBondContact OG-CD2 3.47Å; D89-L106 HydrophobicContact CB-CD1 3.73Å; D89-L106 HydrophobicContact CB-CD2 4.26Å; D89-L106 HydrophobicContact CB-CG 3.97Å
107	L	64.8	Low	62.1	Low	23 Å²	23	84.9 Å²	84.9	12%	0.12	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.5	177.7	-64.4	164.4	0	0	0	108.5	M1 Y5 D89 F90 V105 T109	M1-L107 HydrophobicContact CE-CB 4.4Å; M1-L107 HydrophobicContact CE-CD1 3.94Å; Y5-L107 HydrophobicContact CD1-CD1 3.41Å; Y5-L107 VanDerWaalsContact CD1-CD1 3.41Å; Y5-L107 HydrophobicContact CD1-CD2 3.55Å; Y5-L107 HydrophobicContact CD1-CG 4.1Å; Y5-L107 HydrophobicContact CE1-CD1 3.47Å; Y5-L107 VanDerWaalsContact CE1-CD1 3.47Å; Y5-L107 HydrophobicContact CE1-CD2 3.09Å; Y5-L107 HydrophobicContact CE1-CG 3.8Å; Y5-L107 HydrophobicContact CE2-CD2 4.32Å; Y5-L107 HydrophobicContact CG-CD2 4.37Å; D89-L107 CarbonylContact C-O 3.52Å; D89-L107 WeakPolarHBondContact CA-O 3.47Å; F90-L107 PolarHBondContact N-O 3.01Å; F90-L107 WeakPolarHBondContact O-CA 3.41Å; F90-L107 WeakPolarHBondContact O-CB 3.21Å; F90-L107 PolarHBondContact O-N 3.13Å; V105-L107 HydrophobicContact CG1-CD1 4.2Å; V105-L107 HydrophobicContact CG1-CG 4.12Å; V105-L107 HydrophobicContact CG2-CD2 4Å; V105-L107 HydrophobicContact CG2-CG 4.15Å; L107-T109 PolarHBondContact O-N 3.36Å
108	R	60.6	Low	61.2	Low	136 Å²	136	87.1 Å²	87.1	51%	0.513	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.2	166.3	-176.3	157.3	-122.4	-104	2.2	108.4	D89 F110	D89-R108 WeakPolarHBondContact OD1-CA 3.24Å; D89-R108 WeakPolarHBondContact OD1-CB 3.29Å; D89-R108 WeakPolarHBondContact OD1-CG 3.31Å; D89-R108 IonicContact OD1-NE 3.99Å; D89-R108 PolarHBondContact OD1-NE 3.39Å; R108-F110 HydrophobicContact CB-CD2 4Å; R108-F110 HydrophobicContact CB-CE2 3.67Å; R108-F110 HydrophobicContact CB-CZ 4.33Å; R108-F110 VanDerWaalsContact CD-CZ 3.46Å; R108-F110 HydrophobicContact CG-CD2 3.92Å; R108-F110 HydrophobicContact CG-CE1 4.33Å; R108-F110 HydrophobicContact CG-CE2 3.62Å; R108-F110 HydrophobicContact CG-CG 4.41Å; R108-F110 HydrophobicContact CG-CZ 3.85Å; R108-F110 PolarHBondContact O-N 2.81Å
109	T	56.1	Low	60.5	Low	24 Å²	24	82.2 Å²	82.2	15%	0.147	43%	0.432	C	S	.	.			trans	-74.6	83.8	174.7	-39.9	0	0	0	0	107.8	M1 G88 L107 I111	M1-T109 HydrophobicContact CB-CG2 4.37Å; G88-T109 VanDerWaalsContact O-CB 3.26Å; G88-T109 WeakPolarHBondContact O-CB 3.46Å; G88-T109 PolarHBondContact O-N 3.19Å; G88-T109 PolarHBondContact O-OG1 2.87Å; L107-T109 PolarHBondContact O-N 3.36Å; T109-I111 VanDerWaalsContact C-N 3.32Å; T109-I111 HydrophobicContact CG2-CD1 3.89Å; T109-I111 HydrophobicContact CG2-CG1 3.54Å; T109-I111 PolarHBondContact O-N 3.28Å; T109-I111 VanDerWaalsContact O-N 3.12Å
110	F	46.9	Very low	60.1	Low	144 Å²	144	87.5 Å²	87.5	63%	0.632	46%	0.455	S	S	*	.			trans	-73.2	97.4	159.7	-65.4	-79.8	0	0	0	105.9	M1 R108	M1-F110 PolarHBondContact N-O 3.24Å; R108-F110 HydrophobicContact CB-CD2 4Å; R108-F110 HydrophobicContact CB-CE2 3.67Å; R108-F110 HydrophobicContact CB-CZ 4.33Å; R108-F110 VanDerWaalsContact CD-CZ 3.46Å; R108-F110 HydrophobicContact CG-CD2 3.92Å; R108-F110 HydrophobicContact CG-CE1 4.33Å; R108-F110 HydrophobicContact CG-CE2 3.62Å; R108-F110 HydrophobicContact CG-CG 4.41Å; R108-F110 HydrophobicContact CG-CZ 3.85Å; R108-F110 PolarHBondContact O-N 2.81Å
111	I	44.4	Very low	59.3	Low	83 Å²	83	90.4 Å²	90.4	43%	0.426	46%	0.456	S	S	.	.			trans	-92.7	114.4	157.2	-53.7	-176.3	0	0	0	103.2	H86 T109	H86-I111 WeakPolarHBondContact CE1-CD1 3.42Å; H86-I111 WeakPolarHBondContact O-CD1 3.37Å; T109-I111 VanDerWaalsContact C-N 3.32Å; T109-I111 HydrophobicContact CG2-CD1 3.89Å; T109-I111 HydrophobicContact CG2-CG1 3.54Å; T109-I111 PolarHBondContact O-N 3.28Å; T109-I111 VanDerWaalsContact O-N 3.12Å
112	N	33.8	Very low	58.7	Low	226 Å²	226	87.3 Å²	87.3	100%	1.209	46%	0.455	S	S	*	.			trans	-72.8	0	161.6	-81.1	-26.8	0	0	0	108.5

Retrieved 112 of 112 residues in 116.6 ms (Link to these results)

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