A0A096M7J2_POEFO Loading...

Phosphotransferase

AlphaFold DB , UniProt , Accession A0A096M7J2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 171 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	47.4	Very low	52.4	Low	213 Å²	213	111.5 Å²	111.5	100%	1.049	63%	0.628	S	S	*	*				0	-17.1	0	-88.4	-179.2	165.1	0	0	114.6	S4	M1-S4 PolarHBondContact O-OG 2.77Å
2	L	50.5	Low	53.9	Low	157 Å²	157	109.6 Å²	109.6	82%	0.822	62%	0.615	S	S	*	*	H	α-helix	trans	-85.6	-32.5	-180	-79.1	155.1	0	0	0	114.9	S4 L6	L2-S4 PolarHBondContact O-N 3.23Å; L2-L6 PolarHBondContact O-N 2.87Å
3	A	51.6	Low	56	Low	84 Å²	84	106.6 Å²	106.6	69%	0.694	60%	0.597	S	S	*	*	H	α-helix	trans	-72.9	-26.9	-177.2	0	0	0	0	0	114.2	S7	A3-S7 PolarHBondContact O-N 2.98Å
4	S	51.9	Low	58.1	Low	75 Å²	75	107.9 Å²	107.9	52%	0.524	60%	0.595	S	S	.	*	H	α-helix	trans	-72.9	-32.3	178.5	44.6	0	0	0	0	112.9	M1 L2	M1-S4 PolarHBondContact O-OG 2.77Å; L2-S4 PolarHBondContact O-N 3.23Å
5	N	51.4	Low	59.9	Low	102 Å²	102	103.6 Å²	103.6	55%	0.545	58%	0.58	S	S	.	*	H	α-helix	trans	-78.7	-36.5	179.4	-70	3.5	0	0	0	111.7	S7 A8 E9	N5-S7 PolarHBondContact O-N 3.03Å; N5-A8 PolarHBondContact O-N 3.1Å; N5-E9 WeakPolarHBondContact O-CG 3.22Å; N5-E9 PolarHBondContact O-N 2.82Å
6	L	49.1	Very low	61.6	Low	108 Å²	108	103.6 Å²	103.6	57%	0.565	57%	0.574	S	S	*	*	H	α-helix	trans	-66.4	-36.9	178.3	-150.1	82	0	0	0	112.5	L2 L10	L2-L6 PolarHBondContact O-N 2.87Å; L6-L10 HydrophobicContact CD2-CD1 4.36Å; L6-L10 HydrophobicContact CG-CD1 4.24Å; L6-L10 VanDerWaalsContact O-CB 3.29Å; L6-L10 WeakPolarHBondContact O-CB 3.1Å; L6-L10 WeakPolarHBondContact O-CD1 3.23Å; L6-L10 VanDerWaalsContact O-CG 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.07Å; L6-L10 PolarHBondContact O-N 3.36Å
7	S	51.4	Low	63.4	Low	64 Å²	64	105 Å²	105	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-67.4	-39.6	176.9	-179.4	0	0	0	0	112.4	A3 N5 H11	A3-S7 PolarHBondContact O-N 2.98Å; N5-S7 PolarHBondContact O-N 3.03Å; S7-H11 WeakPolarHBondContact O-CB 3.13Å; S7-H11 PolarHBondContact O-CD2 3.02Å; S7-H11 PolarHBondContact O-N 3.47Å
8	A	55.3	Low	65.1	Low	63 Å²	63	103.6 Å²	103.6	52%	0.521	57%	0.568	S	S	.	*	H	α-helix	trans	-67.7	-41.5	175.8	0	0	0	0	0	112.1	N5 H11 D12	N5-A8 PolarHBondContact O-N 3.1Å; A8-H11 PolarHBondContact O-N 3.3Å; A8-D12 WeakPolarHBondContact O-CB 2.99Å; A8-D12 PolarHBondContact O-N 3.34Å; A8-D12 VanDerWaalsContact O-N 3.08Å
9	E	53.9	Low	66.4	Low	131 Å²	131	103.8 Å²	103.8	61%	0.612	57%	0.568	S	S	*	*	H	α-helix	trans	-68.1	-37.5	175.8	-73	174.5	175.8	0	0	112.9	N5 D12 D13	N5-E9 WeakPolarHBondContact O-CG 3.22Å; N5-E9 PolarHBondContact O-N 2.82Å; E9-D12 PolarHBondContact O-N 3.23Å; E9-D13 PolarHBondContact O-N 2.89Å; E9-D13 VanDerWaalsContact O-N 3.08Å
10	L	53.9	Low	67.7	Low	101 Å²	101	107.6 Å²	107.6	53%	0.529	58%	0.579	S	S	.	*	H	α-helix	trans	-68	-36.3	174.6	-82.3	160.2	0	0	0	112.6	L6 D12 Q14	L6-L10 HydrophobicContact CD2-CD1 4.36Å; L6-L10 HydrophobicContact CG-CD1 4.24Å; L6-L10 VanDerWaalsContact O-CB 3.29Å; L6-L10 WeakPolarHBondContact O-CB 3.1Å; L6-L10 WeakPolarHBondContact O-CD1 3.23Å; L6-L10 VanDerWaalsContact O-CG 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.07Å; L6-L10 PolarHBondContact O-N 3.36Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-Q14 PolarHBondContact O-N 3.03Å
11	H	60	Low	69	Low	129 Å²	129	111.8 Å²	111.8	60%	0.597	59%	0.588	S	S	*	*	H	α-helix	trans	-67.3	-35	172.9	-95.5	-67.8	0	0	0	112.2	S7 A8 A15	S7-H11 WeakPolarHBondContact O-CB 3.13Å; S7-H11 PolarHBondContact O-CD2 3.02Å; S7-H11 PolarHBondContact O-N 3.47Å; A8-H11 PolarHBondContact O-N 3.3Å; H11-A15 WeakPolarHBondContact O-CB 3.22Å; H11-A15 PolarHBondContact O-N 3.45Å
12	D	71.1	Confident	71.3	Confident	88 Å²	88	105.3 Å²	105.3	47%	0.471	56%	0.557	S	S	.	*	H	α-helix	trans	-70.7	-41.2	178.3	-166.9	28.3	0	0	0	112.2	A8 E9 L10 Q14 A15 Q16	A8-D12 WeakPolarHBondContact O-CB 2.99Å; A8-D12 PolarHBondContact O-N 3.34Å; A8-D12 VanDerWaalsContact O-N 3.08Å; E9-D12 PolarHBondContact O-N 3.23Å; L10-D12 VanDerWaalsContact C-N 3.34Å; D12-Q14 PolarHBondContact O-N 3.21Å; D12-A15 PolarHBondContact O-N 3.08Å; D12-Q16 VanDerWaalsContact CG-NE2 3.29Å; D12-Q16 WeakPolarHBondContact O-CB 3.44Å; D12-Q16 VanDerWaalsContact O-CG 3.24Å; D12-Q16 WeakPolarHBondContact O-CG 3.4Å; D12-Q16 PolarHBondContact O-N 2.88Å; D12-Q16 PolarHBondContact OD1-NE2 3.46Å; D12-Q16 VanDerWaalsContact OD1-NE2 3.14Å; D12-Q16 PolarHBondContact OD2-NE2 2.64Å; D12-Q16 VanDerWaalsContact OD2-NE2 3.13Å
13	D	80.4	Confident	73.3	Confident	71 Å²	71	104 Å²	104	38%	0.38	55%	0.547	S	S	.	.	H	α-helix	trans	-65.9	-37.5	176.2	178.4	57.2	0	0	0	112.7	E9 K17	E9-D13 PolarHBondContact O-N 2.89Å; E9-D13 VanDerWaalsContact O-N 3.08Å; D13-K17 VanDerWaalsContact O-CG 3.3Å; D13-K17 WeakPolarHBondContact O-CG 3.32Å; D13-K17 PolarHBondContact O-N 3.11Å; D13-K17 VanDerWaalsContact O-N 3.12Å; D13-K17 WeakPolarHBondContact OD1-CE 3.25Å; D13-K17 IonicContact OD1-NZ 3.2Å; D13-K17 WeakPolarHBondContact OD2-CE 3.36Å; D13-K17 IonicContact OD2-NZ 3.18Å; D13-K17 PolarHBondContact OD2-NZ 3.35Å
14	Q	85.4	Confident	75.3	Confident	124 Å²	124	107.1 Å²	107.1	58%	0.579	55%	0.547	S	S	*	.	H	α-helix	trans	-68.9	-42.7	173.9	-72.5	-172.6	-14.7	0	0	112	L10 D12 K17 V18	L10-Q14 PolarHBondContact O-N 3.03Å; D12-Q14 PolarHBondContact O-N 3.21Å; Q14-K17 PolarHBondContact O-N 3.32Å; Q14-V18 WeakPolarHBondContact O-CG2 3.13Å; Q14-V18 PolarHBondContact O-N 2.98Å
15	A	85.4	Confident	77.3	Confident	44 Å²	44	110.3 Å²	110.3	36%	0.364	55%	0.551	S	S	.	*	H	α-helix	trans	-60.5	-45.9	175.8	0	0	0	0	0	111.5	H11 D12 K17 V18 D19	H11-A15 WeakPolarHBondContact O-CB 3.22Å; H11-A15 PolarHBondContact O-N 3.45Å; D12-A15 PolarHBondContact O-N 3.08Å; A15-K17 VanDerWaalsContact C-N 3.33Å; A15-K17 PolarHBondContact O-N 2.59Å; A15-V18 WeakPolarHBondContact O-CB 3.4Å; A15-V18 PolarHBondContact O-N 2.85Å; A15-V18 VanDerWaalsContact O-N 3.13Å; A15-D19 PolarHBondContact O-N 3.26Å
16	Q	87.6	Confident	79.3	Confident	104 Å²	104	112.6 Å²	112.6	49%	0.486	56%	0.558	S	S	.	*	H	α-helix	trans	-62.7	-36.6	177.6	-72.8	173	24.4	0	0	113	D12 K20	D12-Q16 VanDerWaalsContact CG-NE2 3.29Å; D12-Q16 WeakPolarHBondContact O-CB 3.44Å; D12-Q16 VanDerWaalsContact O-CG 3.24Å; D12-Q16 WeakPolarHBondContact O-CG 3.4Å; D12-Q16 PolarHBondContact O-N 2.88Å; D12-Q16 PolarHBondContact OD1-NE2 3.46Å; D12-Q16 VanDerWaalsContact OD1-NE2 3.14Å; D12-Q16 PolarHBondContact OD2-NE2 2.64Å; D12-Q16 VanDerWaalsContact OD2-NE2 3.13Å; Q16-K20 VanDerWaalsContact O-CB 3.26Å; Q16-K20 WeakPolarHBondContact O-CB 3.39Å; Q16-K20 PolarHBondContact O-N 3.29Å
17	K	91.8	Very high	81.5	Confident	127 Å²	127	110.9 Å²	110.9	55%	0.552	55%	0.55	S	S	*	.	H	α-helix	trans	-65.3	-41.6	173.4	-75.7	169.3	-175.2	162.4	0	111.8	D13 Q14 A15 Y21	D13-K17 VanDerWaalsContact O-CG 3.3Å; D13-K17 WeakPolarHBondContact O-CG 3.32Å; D13-K17 PolarHBondContact O-N 3.11Å; D13-K17 VanDerWaalsContact O-N 3.12Å; D13-K17 WeakPolarHBondContact OD1-CE 3.25Å; D13-K17 IonicContact OD1-NZ 3.2Å; D13-K17 WeakPolarHBondContact OD2-CE 3.36Å; D13-K17 IonicContact OD2-NZ 3.18Å; D13-K17 PolarHBondContact OD2-NZ 3.35Å; Q14-K17 PolarHBondContact O-N 3.32Å; A15-K17 VanDerWaalsContact C-N 3.33Å; A15-K17 PolarHBondContact O-N 2.59Å; K17-Y21 WeakPolarHBondContact O-CB 3.47Å; K17-Y21 PolarHBondContact O-N 3.4Å
18	V	93.1	Very high	83.7	Confident	79 Å²	79	110.4 Å²	110.4	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-64.9	-47.6	175.7	171.7	0	0	0	0	110.6	Q14 A15 K20 Y21 L22	Q14-V18 WeakPolarHBondContact O-CG2 3.13Å; Q14-V18 PolarHBondContact O-N 2.98Å; A15-V18 WeakPolarHBondContact O-CB 3.4Å; A15-V18 PolarHBondContact O-N 2.85Å; A15-V18 VanDerWaalsContact O-N 3.13Å; V18-K20 VanDerWaalsContact C-N 3.31Å; V18-K20 PolarHBondContact O-N 3.2Å; V18-Y21 WeakPolarHBondContact O-CB 3.41Å; V18-Y21 PolarHBondContact O-N 2.94Å; V18-Y21 VanDerWaalsContact O-N 3.09Å; V18-L22 HydrophobicContact CG1-CD1 3.66Å; V18-L22 HydrophobicContact CG1-CG 4.24Å; V18-L22 WeakPolarHBondContact O-CB 3.45Å; V18-L22 WeakPolarHBondContact O-CG 3.44Å; V18-L22 PolarHBondContact O-N 2.89Å
19	D	89.8	Confident	85.7	Confident	109 Å²	109	114 Å²	114	58%	0.583	56%	0.557	S	S	*	*	H	α-helix	trans	-61.1	-40.7	178.1	-76.5	-14.6	0	0	0	111.7	A15 Y21 L22 H23	A15-D19 PolarHBondContact O-N 3.26Å; D19-Y21 VanDerWaalsContact C-N 3.33Å; D19-Y21 PolarHBondContact O-N 3.16Å; D19-L22 CarbonylContact O-C 3.49Å; D19-L22 PolarHBondContact O-N 2.86Å; D19-H23 VanDerWaalsContact O-CA 3.25Å; D19-H23 WeakPolarHBondContact O-CA 3.27Å; D19-H23 WeakPolarHBondContact O-CB 3.46Å; D19-H23 PolarHBondContact O-N 2.93Å
20	K	92.9	Very high	87.8	Confident	178 Å²	178	116 Å²	116	77%	0.774	56%	0.563	S	S	*	*	H	α-helix	trans	-63	-40.7	174.5	-174.3	176.9	-179.4	178.7	0	111.9	Q16 V18	Q16-K20 VanDerWaalsContact O-CB 3.26Å; Q16-K20 WeakPolarHBondContact O-CB 3.39Å; Q16-K20 PolarHBondContact O-N 3.29Å; V18-K20 VanDerWaalsContact C-N 3.31Å; V18-K20 PolarHBondContact O-N 3.2Å
21	Y	95.3	Very high	89.9	Confident	197 Å²	197	113.6 Å²	113.6	77%	0.773	55%	0.553	S	S	*	*	H	α-helix	trans	-69.7	-38.4	178.1	-168.1	-95.9	0	0	0	112	K17 V18 D19	K17-Y21 WeakPolarHBondContact O-CB 3.47Å; K17-Y21 PolarHBondContact O-N 3.4Å; V18-Y21 WeakPolarHBondContact O-CB 3.41Å; V18-Y21 PolarHBondContact O-N 2.94Å; V18-Y21 VanDerWaalsContact O-N 3.09Å; D19-Y21 VanDerWaalsContact C-N 3.33Å; D19-Y21 PolarHBondContact O-N 3.16Å
22	L	95.8	Very high	91.7	Very high	76 Å²	76	111.4 Å²	111.4	40%	0.398	55%	0.545	S	S	.	.	H	α-helix	trans	-92.5	3.7	-178.7	-61.9	-178.9	0	0	0	113.6	V18 D19 Q24 F25 H26	V18-L22 HydrophobicContact CG1-CD1 3.66Å; V18-L22 HydrophobicContact CG1-CG 4.24Å; V18-L22 WeakPolarHBondContact O-CB 3.45Å; V18-L22 WeakPolarHBondContact O-CG 3.44Å; V18-L22 PolarHBondContact O-N 2.89Å; D19-L22 CarbonylContact O-C 3.49Å; D19-L22 PolarHBondContact O-N 2.86Å; L22-Q24 PolarHBondContact O-N 3.34Å; L22-F25 HydrophobicContact CB-CD2 4.41Å; L22-F25 HydrophobicContact CD2-CD2 3.99Å; L22-F25 HydrophobicContact CD2-CE2 4.21Å; L22-F25 WeakPolarHBondContact O-CA 3.48Å; L22-F25 WeakPolarHBondContact O-CB 3.3Å; L22-F25 PolarHBondContact O-N 3.32Å; L22-H26 PolarHBondContact O-N 3.4Å
23	H	92.5	Very high	93	Very high	131 Å²	131	113 Å²	113	61%	0.606	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-53.6	-34.8	-174	-180	-86.7	0	0	0	112.9	D19 F25 H26	D19-H23 VanDerWaalsContact O-CA 3.25Å; D19-H23 WeakPolarHBondContact O-CA 3.27Å; D19-H23 WeakPolarHBondContact O-CB 3.46Å; D19-H23 PolarHBondContact O-N 2.93Å; H23-F25 PolarHBondContact O-N 3.4Å; H23-H26 WeakPolarHBondContact O-CB 3.28Å; H23-H26 PolarHBondContact O-N 2.87Å
24	Q	93.3	Very high	93.9	Very high	148 Å²	148	113.4 Å²	113.4	69%	0.692	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-65.4	-20.8	176.8	67.9	-179.8	30.2	0	0	114.4	L22	L22-Q24 PolarHBondContact O-N 3.34Å
25	F	94.6	Very high	94.5	Very high	143 Å²	143	111.3 Å²	111.3	63%	0.627	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-90.8	-12	174.3	-60.4	-83.7	0	0	0	112.2	L22 H23 L27	L22-F25 HydrophobicContact CB-CD2 4.41Å; L22-F25 HydrophobicContact CD2-CD2 3.99Å; L22-F25 HydrophobicContact CD2-CE2 4.21Å; L22-F25 WeakPolarHBondContact O-CA 3.48Å; L22-F25 WeakPolarHBondContact O-CB 3.3Å; L22-F25 PolarHBondContact O-N 3.32Å; H23-F25 PolarHBondContact O-N 3.4Å; F25-L27 PolarHBondContact O-N 3.26Å
26	H	93.1	Very high	95.1	Very high	149 Å²	149	112.8 Å²	112.8	69%	0.69	55%	0.551	S	S	*	*			trans	-82.2	97.4	174.4	-168.8	-129.4	0	0	0	109.7	L22 H23 S28	L22-H26 PolarHBondContact O-N 3.4Å; H23-H26 WeakPolarHBondContact O-CB 3.28Å; H23-H26 PolarHBondContact O-N 2.87Å; H26-S28 PolarHBondContact O-N 2.76Å
27	L	95.6	Very high	95.6	Very high	73 Å²	73	113.4 Å²	113.4	38%	0.382	56%	0.555	S	S	.	*			trans	-83.9	116.1	-178.5	-55.8	-179.3	0	0	0	109.9	F25 T31 L32 L35	F25-L27 PolarHBondContact O-N 3.26Å; L27-T31 HydrophobicContact CD2-CG2 3.95Å; L27-L32 HydrophobicContact CB-CD2 3.86Å; L27-L32 HydrophobicContact CB-CG 4.03Å; L27-L32 HydrophobicContact CD1-CD2 3.77Å; L27-L32 HydrophobicContact CG-CD2 4.49Å; L27-L35 HydrophobicContact CD1-CD1 4.08Å
28	S	96.6	Very high	95.9	Very high	54 Å²	54	113.6 Å²	113.6	38%	0.378	55%	0.552	S	S	.	*			trans	-64.9	156.6	170.1	73.6	0	0	0	0	111.6	H26 K30 T31 L32	H26-S28 PolarHBondContact O-N 2.76Å; S28-K30 PolarHBondContact O-N 3.25Å; S28-K30 VanDerWaalsContact O-N 3.14Å; S28-T31 WeakPolarHBondContact O-CA 3.29Å; S28-T31 WeakPolarHBondContact O-CB 3.29Å; S28-T31 PolarHBondContact O-N 3.06Å; S28-T31 PolarHBondContact OG-N 2.81Å; S28-T31 PolarHBondContact OG-OG1 3.23Å; S28-L32 PolarHBondContact O-N 3.32Å
29	D	97.8	Very high	96.2	Very high	138 Å²	138	115.2 Å²	115.2	74%	0.738	55%	0.553	S	S	*	*	H	α-helix	trans	-52.5	-36.9	173.1	-68.7	-7.9	0	0	0	112.6	L32 M33	D29-L32 PolarHBondContact O-N 3.4Å; D29-M33 WeakPolarHBondContact O-CB 3.35Å; D29-M33 PolarHBondContact O-N 2.95Å
30	K	98.1	Very high	96.6	Very high	172 Å²	172	116.8 Å²	116.8	75%	0.748	55%	0.551	S	S	*	*	H	α-helix	trans	-61.2	-45.6	174.7	-178.4	-177	175.8	-176	0	111.3	S28 M33 E34	S28-K30 PolarHBondContact O-N 3.25Å; S28-K30 VanDerWaalsContact O-N 3.14Å; K30-M33 PolarHBondContact O-N 3.16Å; K30-E34 PolarHBondContact O-N 3.1Å
31	T	97.8	Very high	96.9	Very high	52 Å²	52	115.1 Å²	115.1	32%	0.319	54%	0.54	S	S	.	.	H	α-helix	trans	-64.2	-43.7	177.1	-51.5	0	0	0	0	111	L27 S28 M33 E34 L35	L27-T31 HydrophobicContact CD2-CG2 3.95Å; S28-T31 WeakPolarHBondContact O-CA 3.29Å; S28-T31 WeakPolarHBondContact O-CB 3.29Å; S28-T31 PolarHBondContact O-N 3.06Å; S28-T31 PolarHBondContact OG-N 2.81Å; S28-T31 PolarHBondContact OG-OG1 3.23Å; T31-M33 PolarHBondContact O-N 3.08Å; T31-E34 PolarHBondContact O-N 3.03Å; T31-L35 HydrophobicContact CG2-CD1 4.42Å; T31-L35 WeakPolarHBondContact O-CG 3.49Å; T31-L35 PolarHBondContact O-N 2.73Å
32	L	98.3	Very high	97	Very high	83 Å²	83	107.6 Å²	107.6	44%	0.435	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-42.4	177.6	-67.9	174.4	0	0	0	111.9	L27 S28 D29 E34 L35 S36	L27-L32 HydrophobicContact CB-CD2 3.86Å; L27-L32 HydrophobicContact CB-CG 4.03Å; L27-L32 HydrophobicContact CD1-CD2 3.77Å; L27-L32 HydrophobicContact CG-CD2 4.49Å; S28-L32 PolarHBondContact O-N 3.32Å; D29-L32 PolarHBondContact O-N 3.4Å; L32-E34 VanDerWaalsContact C-N 3.34Å; L32-E34 PolarHBondContact O-N 3.26Å; L32-L35 PolarHBondContact O-N 3.03Å; L32-S36 PolarHBondContact O-N 2.9Å
33	M	98.5	Very high	97.1	Very high	121 Å²	121	106.1 Å²	106.1	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-63.1	-41.2	175.1	-174.4	61.8	102.6	0	0	111.6	D29 K30 T31 S36 M37	D29-M33 WeakPolarHBondContact O-CB 3.35Å; D29-M33 PolarHBondContact O-N 2.95Å; K30-M33 PolarHBondContact O-N 3.16Å; T31-M33 PolarHBondContact O-N 3.08Å; M33-S36 WeakPolarHBondContact O-CB 3.41Å; M33-S36 PolarHBondContact O-N 3.46Å; M33-M37 HydrophobicContact CG-CE 4.38Å; M33-M37 WeakPolarHBondContact O-CG 3.38Å; M33-M37 PolarHBondContact O-N 2.86Å
34	E	98.4	Very high	97.4	Very high	80 Å²	80	103.3 Å²	103.3	37%	0.374	49%	0.493	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175	-172	179.5	171.8	0	0	112.3	K30 T31 L32 S36 M37 R38	K30-E34 PolarHBondContact O-N 3.1Å; T31-E34 PolarHBondContact O-N 3.03Å; L32-E34 VanDerWaalsContact C-N 3.34Å; L32-E34 PolarHBondContact O-N 3.26Å; E34-S36 VanDerWaalsContact C-N 3.34Å; E34-S36 PolarHBondContact O-N 2.88Å; E34-M37 PolarHBondContact O-N 3.37Å; E34-R38 VanDerWaalsContact O-CG 3.3Å; E34-R38 WeakPolarHBondContact O-CG 3.47Å; E34-R38 PolarHBondContact O-N 3.47Å; E34-R38 IonicContact OE1-CZ 3.67Å; E34-R38 VanDerWaalsContact OE1-CZ 3.28Å; E34-R38 IonicContact OE1-NE 3.63Å; E34-R38 PolarHBondContact OE1-NE 3.11Å; E34-R38 IonicContact OE1-NH2 3.54Å; E34-R38 PolarHBondContact OE1-NH2 2.9Å
35	L	97.9	Very high	97.7	Very high	80 Å²	80	99.9 Å²	99.9	42%	0.419	48%	0.476	S	S	.	.	H	α-helix	trans	-61.5	-42.3	175.3	-70.2	173.9	0	0	0	111.7	L27 T31 L32 M37 R38 F39	L27-L35 HydrophobicContact CD1-CD1 4.08Å; T31-L35 HydrophobicContact CG2-CD1 4.42Å; T31-L35 WeakPolarHBondContact O-CG 3.49Å; T31-L35 PolarHBondContact O-N 2.73Å; L32-L35 PolarHBondContact O-N 3.03Å; L35-M37 PolarHBondContact O-N 3.27Å; L35-R38 PolarHBondContact O-N 3.35Å; L35-F39 WeakPolarHBondContact O-CB 3.02Å; L35-F39 PolarHBondContact O-N 3.38Å
36	S	98.4	Very high	97.8	Very high	75 Å²	75	93.1 Å²	93.1	52%	0.524	45%	0.447	S	S	.	.	H	α-helix	trans	-58.6	-46.9	175.3	-178.2	0	0	0	0	111.8	L32 M33 E34 R38 F39 R40	L32-S36 PolarHBondContact O-N 2.9Å; M33-S36 WeakPolarHBondContact O-CB 3.41Å; M33-S36 PolarHBondContact O-N 3.46Å; E34-S36 VanDerWaalsContact C-N 3.34Å; E34-S36 PolarHBondContact O-N 2.88Å; S36-R38 PolarHBondContact O-N 3.07Å; S36-F39 PolarHBondContact O-N 2.87Å; S36-R40 WeakPolarHBondContact O-CB 3.2Å; S36-R40 PolarHBondContact O-N 2.83Å
37	M	98.5	Very high	98.1	Very high	116 Å²	116	91.5 Å²	91.5	57%	0.571	44%	0.442	S	S	*	.	H	α-helix	trans	-63.6	-40.5	176.4	-70.2	-173.3	-67.5	0	0	112.6	M33 E34 L35 R40 R41	M33-M37 HydrophobicContact CG-CE 4.38Å; M33-M37 WeakPolarHBondContact O-CG 3.38Å; M33-M37 PolarHBondContact O-N 2.86Å; E34-M37 PolarHBondContact O-N 3.37Å; L35-M37 PolarHBondContact O-N 3.27Å; M37-R40 PolarHBondContact O-N 2.69Å; M37-R41 PolarHBondContact O-N 2.88Å
38	R	98.4	Very high	98.2	Very high	131 Å²	131	90.6 Å²	90.6	49%	0.494	44%	0.442	S	S	.	.	H	α-helix	trans	-62.8	-45.7	175.8	-72.2	172.5	-179.6	-151.4	4.1	111	E34 L35 S36 R40 R41 E42	E34-R38 VanDerWaalsContact O-CG 3.3Å; E34-R38 WeakPolarHBondContact O-CG 3.47Å; E34-R38 PolarHBondContact O-N 3.47Å; E34-R38 IonicContact OE1-CZ 3.67Å; E34-R38 VanDerWaalsContact OE1-CZ 3.28Å; E34-R38 IonicContact OE1-NE 3.63Å; E34-R38 PolarHBondContact OE1-NE 3.11Å; E34-R38 IonicContact OE1-NH2 3.54Å; E34-R38 PolarHBondContact OE1-NH2 2.9Å; L35-R38 PolarHBondContact O-N 3.35Å; S36-R38 PolarHBondContact O-N 3.07Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-R40 PolarHBondContact O-N 3.41Å; R38-R41 PolarHBondContact O-N 2.93Å; R38-E42 PolarHBondContact O-N 3.48Å; R38-E42 VanDerWaalsContact O-N 3.08Å
39	F	98.5	Very high	98.2	Very high	113 Å²	113	98.7 Å²	98.7	50%	0.496	46%	0.464	S	S	.	.	H	α-helix	trans	-62.8	-41.5	176.9	-171.2	-104.4	0	0	0	111.4	L35 S36 R41 E42 M43 V57	L35-F39 WeakPolarHBondContact O-CB 3.02Å; L35-F39 PolarHBondContact O-N 3.38Å; S36-F39 PolarHBondContact O-N 2.87Å; F39-R41 VanDerWaalsContact C-N 3.33Å; F39-R41 PolarHBondContact O-N 2.82Å; F39-E42 PolarHBondContact O-N 2.86Å; F39-E42 VanDerWaalsContact O-N 3.12Å; F39-M43 HydrophobicContact CD1-CE 3.75Å; F39-M43 HydrophobicContact CD1-CG 4.19Å; F39-M43 HydrophobicContact CD1-SD 4.04Å; F39-M43 HydrophobicContact CE1-CE 3.92Å; F39-M43 HydrophobicContact CE1-CG 3.9Å; F39-M43 HydrophobicContact CE1-SD 3.6Å; F39-M43 HydrophobicContact CZ-CG 4.36Å; F39-M43 HydrophobicContact CZ-SD 4.44Å; F39-M43 WeakPolarHBondContact O-CG 3.26Å; F39-M43 PolarHBondContact O-N 3.31Å; F39-V57 HydrophobicContact CD2-CG2 4.35Å; F39-V57 HydrophobicContact CE2-CG2 3.89Å
40	R	98.5	Very high	98.2	Very high	142 Å²	142	98.6 Å²	98.6	54%	0.536	46%	0.464	S	S	.	.	H	α-helix	trans	-56.5	-46.5	174.2	179.4	59.8	-167	-158.6	11.2	112.3	S36 M37 R38 E42 M43 D44	S36-R40 WeakPolarHBondContact O-CB 3.2Å; S36-R40 PolarHBondContact O-N 2.83Å; M37-R40 PolarHBondContact O-N 2.69Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-R40 PolarHBondContact O-N 3.41Å; R40-E42 VanDerWaalsContact C-N 3.31Å; R40-E42 PolarHBondContact O-N 2.94Å; R40-M43 HydrophobicContact CB-CE 4.33Å; R40-M43 WeakPolarHBondContact O-CB 3.19Å; R40-M43 PolarHBondContact O-N 2.94Å; R40-D44 IonicContact CZ-OD1 3.28Å; R40-D44 IonicContact NE-OD1 2.65Å; R40-D44 PolarHBondContact NE-OD1 3.06Å; R40-D44 IonicContact NE-OD2 2.83Å; R40-D44 IonicContact NH2-OD1 3.18Å; R40-D44 PolarHBondContact NH2-OD1 3.44Å; R40-D44 PolarHBondContact O-N 3.18Å
41	R	98.3	Very high	98.1	Very high	143 Å²	143	92.9 Å²	92.9	54%	0.54	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-38	176.5	-175.4	178.7	65	-175.7	-1.7	112.4	M37 R38 F39 D44 K45	M37-R41 PolarHBondContact O-N 2.88Å; R38-R41 PolarHBondContact O-N 2.93Å; F39-R41 VanDerWaalsContact C-N 3.33Å; F39-R41 PolarHBondContact O-N 2.82Å; R41-D44 PolarHBondContact O-N 2.86Å; R41-K45 WeakPolarHBondContact O-CG 3.44Å; R41-K45 PolarHBondContact O-N 2.89Å
42	E	98.4	Very high	98.1	Very high	39 Å²	39	93 Å²	93	18%	0.182	44%	0.442	C	S	.	.	H	α-helix	trans	-69.3	-34.1	175.5	-65.1	-52.3	130.6	0	0	112.4	R38 F39 R40 K45 G46 V57	R38-E42 PolarHBondContact O-N 3.48Å; R38-E42 VanDerWaalsContact O-N 3.08Å; F39-E42 PolarHBondContact O-N 2.86Å; F39-E42 VanDerWaalsContact O-N 3.12Å; R40-E42 VanDerWaalsContact C-N 3.31Å; R40-E42 PolarHBondContact O-N 2.94Å; E42-K45 PolarHBondContact O-N 2.69Å; E42-K45 IonicContact OE1-NZ 2.76Å; E42-K45 PolarHBondContact OE1-NZ 3.42Å; E42-K45 WeakPolarHBondContact OE2-CD 3.35Å; E42-K45 IonicContact OE2-NZ 2.88Å; E42-G46 PolarHBondContact O-N 3.15Å; E42-V57 HydrophobicContact CB-CB 4.2Å; E42-V57 HydrophobicContact CB-CG2 3.77Å
43	M	98.6	Very high	97.9	Very high	45 Å²	45	93.6 Å²	93.6	22%	0.222	45%	0.451	C	S	.	.	H	α-helix	trans	-63	-45.8	170.1	-67.6	-169.6	-74	0	0	111.6	F39 R40 K45 G46 L47 V57 M59	F39-M43 HydrophobicContact CD1-CE 3.75Å; F39-M43 HydrophobicContact CD1-CG 4.19Å; F39-M43 HydrophobicContact CD1-SD 4.04Å; F39-M43 HydrophobicContact CE1-CE 3.92Å; F39-M43 HydrophobicContact CE1-CG 3.9Å; F39-M43 HydrophobicContact CE1-SD 3.6Å; F39-M43 HydrophobicContact CZ-CG 4.36Å; F39-M43 HydrophobicContact CZ-SD 4.44Å; F39-M43 WeakPolarHBondContact O-CG 3.26Å; F39-M43 PolarHBondContact O-N 3.31Å; R40-M43 HydrophobicContact CB-CE 4.33Å; R40-M43 WeakPolarHBondContact O-CB 3.19Å; R40-M43 PolarHBondContact O-N 2.94Å; M43-K45 VanDerWaalsContact C-N 3.29Å; M43-K45 PolarHBondContact O-N 3.05Å; M43-G46 PolarHBondContact O-N 2.99Å; M43-G46 VanDerWaalsContact O-N 3.11Å; M43-L47 WeakPolarHBondContact O-CG 3.41Å; M43-L47 PolarHBondContact O-N 2.95Å; M43-V57 HydrophobicContact CG-CG1 4.42Å; M43-M59 HydrophobicContact CB-CE 4.17Å; M43-M59 HydrophobicContact CB-SD 3.95Å; M43-M59 HydrophobicContact CG-CE 4.26Å; M43-M59 HydrophobicContact CG-SD 3.77Å; M43-M59 HydrophobicContact SD-CE 4.43Å; M43-M59 HydrophobicContact SD-SD 4.48Å
44	D	98.5	Very high	97.7	Very high	73 Å²	73	93.8 Å²	93.8	39%	0.39	46%	0.459	S	S	.	.	H	α-helix	trans	-62	-39.4	178.5	-63	-32.7	0	0	0	111	R40 R41 L47 C48	R40-D44 IonicContact CZ-OD1 3.28Å; R40-D44 IonicContact NE-OD1 2.65Å; R40-D44 PolarHBondContact NE-OD1 3.06Å; R40-D44 IonicContact NE-OD2 2.83Å; R40-D44 IonicContact NH2-OD1 3.18Å; R40-D44 PolarHBondContact NH2-OD1 3.44Å; R40-D44 PolarHBondContact O-N 3.18Å; R41-D44 PolarHBondContact O-N 2.86Å; D44-L47 PolarHBondContact O-N 3.12Å; D44-C48 WeakPolarHBondContact O-CB 3.49Å; D44-C48 PolarHBondContact O-N 3.16Å
45	K	98.3	Very high	97.6	Very high	75 Å²	75	90.1 Å²	90.1	33%	0.326	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-40.9	171.9	-74	173.8	-179.4	176.1	0	113	R41 E42 M43 L47 C48 T51 N52 A55	R41-K45 WeakPolarHBondContact O-CG 3.44Å; R41-K45 PolarHBondContact O-N 2.89Å; E42-K45 PolarHBondContact O-N 2.69Å; E42-K45 IonicContact OE1-NZ 2.76Å; E42-K45 PolarHBondContact OE1-NZ 3.42Å; E42-K45 WeakPolarHBondContact OE2-CD 3.35Å; E42-K45 IonicContact OE2-NZ 2.88Å; M43-K45 VanDerWaalsContact C-N 3.29Å; M43-K45 PolarHBondContact O-N 3.05Å; K45-L47 VanDerWaalsContact C-N 3.32Å; K45-C48 PolarHBondContact O-N 2.94Å; K45-T51 VanDerWaalsContact CA-OG1 3.29Å; K45-T51 WeakPolarHBondContact CA-OG1 3.48Å; K45-T51 CarbonylContact O-C 3.57Å; K45-T51 PolarHBondContact O-OG1 2.86Å; K45-N52 PolarHBondContact O-N 2.92Å; K45-A55 HydrophobicContact CB-CB 4.23Å
46	G	97.9	Very high	97.4	Very high	2 Å²	2	90.3 Å²	90.3	2%	0.021	46%	0.455	C	S	.	.	H	α-helix	trans	-66.2	-33.4	178	0	0	0	0	0	112.8	E42 M43 N52 V57	E42-G46 PolarHBondContact O-N 3.15Å; M43-G46 PolarHBondContact O-N 2.99Å; M43-G46 VanDerWaalsContact O-N 3.11Å; G46-N52 PolarHBondContact O-ND2 2.94Å; G46-V57 VanDerWaalsContact CA-O 3.26Å; G46-V57 WeakPolarHBondContact CA-O 3.43Å
47	L	98.2	Very high	97.3	Very high	114 Å²	114	88.5 Å²	88.5	60%	0.597	44%	0.441	S	S	*	.	H	α-helix	trans	-80.6	-27.4	177.5	-70.2	169	0	0	0	113.2	M43 D44 K45 M59	M43-L47 WeakPolarHBondContact O-CG 3.41Å; M43-L47 PolarHBondContact O-N 2.95Å; D44-L47 PolarHBondContact O-N 3.12Å; K45-L47 VanDerWaalsContact C-N 3.32Å; L47-M59 HydrophobicContact CD1-CE 4.03Å; L47-M59 HydrophobicContact CD2-CB 3.84Å; L47-M59 HydrophobicContact CD2-CE 4.03Å; L47-M59 HydrophobicContact CD2-CG 4.38Å; L47-M59 HydrophobicContact CG-CB 4Å; L47-M59 HydrophobicContact CG-CE 3.94Å; L47-M59 HydrophobicContact CG-CG 4.04Å
48	C	97.9	Very high	97.1	Very high	55 Å²	55	87.5 Å²	87.5	37%	0.372	43%	0.433	S	S	.	.	S	Bend	trans	-76.5	127.6	-179.4	174.7	0	0	0	0	111.7	D44 K45 D50 T51 N52	D44-C48 WeakPolarHBondContact O-CB 3.49Å; D44-C48 PolarHBondContact O-N 3.16Å; K45-C48 PolarHBondContact O-N 2.94Å; C48-D50 VanDerWaalsContact C-N 3.28Å; C48-D50 PolarHBondContact O-N 3.38Å; C48-T51 VanDerWaalsContact CB-OG1 3.29Å; C48-T51 WeakPolarHBondContact CB-OG1 3.28Å; C48-T51 PolarHBondContact O-N 3.46Å; C48-T51 PolarHBondContact O-OG1 3.34Å; C48-N52 VanDerWaalsContact O-CB 3.28Å; C48-N52 WeakPolarHBondContact O-CB 3.48Å; C48-N52 PolarHBondContact O-N 3.14Å
49	R	96.5	Very high	97.1	Very high	223 Å²	223	84.5 Å²	84.5	84%	0.842	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-43.6	-177.4	-175.5	-177	-175	-174	1.2	113.3
50	D	97.7	Very high	96.9	Very high	137 Å²	137	81.9 Å²	81.9	73%	0.733	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-28.7	-172.3	-59.2	-27.6	0	0	0	112.3	C48	C48-D50 VanDerWaalsContact C-N 3.28Å; C48-D50 PolarHBondContact O-N 3.38Å
51	T	97.6	Very high	96.8	Very high	51 Å²	51	78.7 Å²	78.7	31%	0.313	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-18	-177.7	53.2	0	0	0	0	113.8	K45 C48 P53 T54 A55	K45-T51 VanDerWaalsContact CA-OG1 3.29Å; K45-T51 WeakPolarHBondContact CA-OG1 3.48Å; K45-T51 CarbonylContact O-C 3.57Å; K45-T51 PolarHBondContact O-OG1 2.86Å; C48-T51 VanDerWaalsContact CB-OG1 3.29Å; C48-T51 WeakPolarHBondContact CB-OG1 3.28Å; C48-T51 PolarHBondContact O-N 3.46Å; C48-T51 PolarHBondContact O-OG1 3.34Å; T51-P53 VanDerWaalsContact C-CD 3.44Å; T51-T54 PolarHBondContact O-N 2.92Å; T51-T54 PolarHBondContact O-OG1 3.28Å; T51-A55 PolarHBondContact O-N 3.08Å; T51-A55 VanDerWaalsContact O-N 3.1Å
52	N	96.1	Very high	96.7	Very high	56 Å²	56	75.6 Å²	75.6	30%	0.299	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-53.1	-43.6	-179.3	175.7	-86.2	0	0	0	114.1	K45 G46 C48 T54 A55 K58	K45-N52 PolarHBondContact O-N 2.92Å; G46-N52 PolarHBondContact O-ND2 2.94Å; C48-N52 VanDerWaalsContact O-CB 3.28Å; C48-N52 WeakPolarHBondContact O-CB 3.48Å; C48-N52 PolarHBondContact O-N 3.14Å; N52-T54 PolarHBondContact O-N 3.3Å; N52-A55 PolarHBondContact O-N 3.33Å; N52-K58 PolarHBondContact ND2-O 3.23Å
53	P	94.3	Very high	96.6	Very high	95 Å²	95	77.9 Å²	77.9	62%	0.617	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-55.1	-33.2	-177.6	-28.5	36.6	0	0	0	113.6	T51	T51-P53 VanDerWaalsContact C-CD 3.44Å
54	T	94.9	Very high	96.5	Very high	125 Å²	125	80.3 Å²	80.3	77%	0.767	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-105.6	0.7	-179.5	55.1	0	0	0	0	114.1	T51 N52	T51-T54 PolarHBondContact O-N 2.92Å; T51-T54 PolarHBondContact O-OG1 3.28Å; N52-T54 PolarHBondContact O-N 3.3Å
55	A	95.6	Very high	96.5	Very high	3 Å²	3	87.9 Å²	87.9	3%	0.025	46%	0.459	C	S	.	.			trans	-69.4	141.1	-179.2	0	0	0	0	0	111.4	K45 T51 N52 K58	K45-A55 HydrophobicContact CB-CB 4.23Å; T51-A55 PolarHBondContact O-N 3.08Å; T51-A55 VanDerWaalsContact O-N 3.1Å; N52-A55 PolarHBondContact O-N 3.33Å; A55-K58 WeakPolarHBondContact O-CE 3.4Å; A55-K58 PolarHBondContact O-NZ 3.04Å
56	A	94.3	Very high	96.4	Very high	84 Å²	84	88.7 Å²	88.7	69%	0.694	47%	0.474	S	S	*	.	S	Bend	trans	-74.8	-40.4	174.9	0	0	0	0	0	111.5
57	V	96.3	Very high	96.3	Very high	37 Å²	37	94.2 Å²	94.2	22%	0.224	51%	0.508	C	S	.	.	S	Bend	trans	-93.2	111.1	173.9	-176.7	0	0	0	0	108.4	F39 E42 M43 G46 M59	F39-V57 HydrophobicContact CD2-CG2 4.35Å; F39-V57 HydrophobicContact CE2-CG2 3.89Å; E42-V57 HydrophobicContact CB-CB 4.2Å; E42-V57 HydrophobicContact CB-CG2 3.77Å; M43-V57 HydrophobicContact CG-CG1 4.42Å; G46-V57 VanDerWaalsContact CA-O 3.26Å; G46-V57 WeakPolarHBondContact CA-O 3.43Å; V57-M59 HydrophobicContact CG1-CG 4.15Å; V57-M59 HydrophobicContact CG1-SD 3.67Å; V57-M59 PolarHBondContact O-N 3.43Å
58	K	94.8	Very high	96	Very high	95 Å²	95	93.9 Å²	93.9	41%	0.413	51%	0.512	S	S	.	.			trans	-76.7	-20.8	-166.2	-63.5	-57.5	-173.9	-170.8	0	115.7	N52 A55 L60	N52-K58 PolarHBondContact ND2-O 3.23Å; A55-K58 WeakPolarHBondContact O-CE 3.4Å; A55-K58 PolarHBondContact O-NZ 3.04Å; K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 HydrophobicContact CB-CD1 4.25Å; K58-L60 HydrophobicContact CB-CD2 3.72Å; K58-L60 HydrophobicContact CB-CG 3.7Å; K58-L60 PolarHBondContact O-N 2.99Å
59	M	97.3	Very high	95.7	Very high	67 Å²	67	96.6 Å²	96.6	33%	0.33	52%	0.523	S	S	.	.			trans	48	49.7	179.8	-57.6	-58.3	-66	0	0	112.9	M43 L47 V57	M43-M59 HydrophobicContact CB-CE 4.17Å; M43-M59 HydrophobicContact CB-SD 3.95Å; M43-M59 HydrophobicContact CG-CE 4.26Å; M43-M59 HydrophobicContact CG-SD 3.77Å; M43-M59 HydrophobicContact SD-CE 4.43Å; M43-M59 HydrophobicContact SD-SD 4.48Å; L47-M59 HydrophobicContact CD1-CE 4.03Å; L47-M59 HydrophobicContact CD2-CB 3.84Å; L47-M59 HydrophobicContact CD2-CE 4.03Å; L47-M59 HydrophobicContact CD2-CG 4.38Å; L47-M59 HydrophobicContact CG-CB 4Å; L47-M59 HydrophobicContact CG-CE 3.94Å; L47-M59 HydrophobicContact CG-CG 4.04Å; V57-M59 HydrophobicContact CG1-CG 4.15Å; V57-M59 HydrophobicContact CG1-SD 3.67Å; V57-M59 PolarHBondContact O-N 3.43Å
60	L	95.1	Very high	95.4	Very high	58 Å²	58	87.5 Å²	87.5	30%	0.304	50%	0.499	S	S	.	.			trans	-68.7	134.2	-172.7	-59.5	174.5	0	0	0	111.4	K58 P153 C154 L155	K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 HydrophobicContact CB-CD1 4.25Å; K58-L60 HydrophobicContact CB-CD2 3.72Å; K58-L60 HydrophobicContact CB-CG 3.7Å; K58-L60 PolarHBondContact O-N 2.99Å; L60-P153 HydrophobicContact CD1-CB 4.14Å; L60-C154 WeakPolarHBondContact CD1-O 3.3Å; L60-L155 HydrophobicContact CD2-CD2 3.74Å
61	P	95.9	Very high	95.1	Very high	75 Å²	75	86 Å²	86	49%	0.487	50%	0.495	S	S	.	.			trans	-71.7	133.1	175.9	29	-33.5	0	0	0	111.3	Y63	P61-Y63 HydrophobicContact CB-CE2 4.15Å; P61-Y63 HydrophobicContact CG-CE2 4.12Å
62	T	95.9	Very high	94.8	Very high	78 Å²	78	87.1 Å²	87.1	48%	0.479	50%	0.497	S	S	.	.			trans	-97.1	-9.6	-178.1	62.8	0	0	0	0	114.1	V64	T62-V64 PolarHBondContact O-N 3.32Å; T62-V64 VanDerWaalsContact O-N 3.08Å; T62-V64 PolarHBondContact OG1-N 2.74Å
63	Y	96.9	Very high	94.7	Very high	87 Å²	87	90.3 Å²	90.3	34%	0.341	51%	0.51	S	S	.	.			trans	61.9	7.7	-173	-65.8	-97.4	0	0	0	115.6	P61 Q156 T157	P61-Y63 HydrophobicContact CB-CE2 4.15Å; P61-Y63 HydrophobicContact CG-CE2 4.12Å; Y63-Q156 HydrophobicContact CD2-CB 3.81Å; Y63-Q156 VanDerWaalsContact CE2-C 3.49Å; Y63-Q156 HydrophobicContact CE2-CB 3.79Å; Y63-Q156 VanDerWaalsContact CE2-O 3.22Å; Y63-Q156 WeakPolarHBondContact CE2-O 3.24Å; Y63-Q156 PolarHBondContact OH-O 2.65Å; Y63-T157 VanDerWaalsContact CE1-C 3.45Å; Y63-T157 WeakPolarHBondContact CE1-O 3.37Å; Y63-T157 VanDerWaalsContact OH-C 3.23Å; Y63-T157 VanDerWaalsContact OH-CA 3.22Å; Y63-T157 WeakPolarHBondContact OH-CA 3.42Å; Y63-T157 PolarHBondContact OH-O 3.47Å
64	V	97.1	Very high	94.8	Very high	97 Å²	97	87.4 Å²	87.4	59%	0.588	50%	0.497	S	S	*	.			trans	-85.9	120.8	166.6	-178.1	0	0	0	0	108.6	T62 S66 L159	T62-V64 PolarHBondContact O-N 3.32Å; T62-V64 VanDerWaalsContact O-N 3.08Å; T62-V64 PolarHBondContact OG1-N 2.74Å; V64-S66 WeakPolarHBondContact CG1-O 3.41Å; V64-L159 HydrophobicContact CG2-CD1 4.25Å
65	R	97.7	Very high	94.8	Very high	231 Å²	231	84.5 Å²	84.5	87%	0.872	48%	0.475	S	S	*	.			trans	-105.9	-15.6	-170	-62	-175.6	-178.4	-171.5	0.2	114.6
66	S	97.3	Very high	94.9	Very high	92 Å²	92	87.9 Å²	87.9	64%	0.643	49%	0.489	S	S	*	.	S	Bend	trans	-152.1	159.3	179.2	56	0	0	0	0	110	V64	V64-S66 WeakPolarHBondContact CG1-O 3.41Å
67	T	96	Very high	95.1	Very high	118 Å²	118	84.4 Å²	84.4	72%	0.724	46%	0.459	S	S	*	.			trans	-74.4	165.2	164.7	52.4	0	0	0	0	110.2	D69	T67-D69 PolarHBondContact O-N 2.78Å
68	P	92.1	Very high	95.2	Very high	107 Å²	107	83.8 Å²	83.8	70%	0.695	46%	0.457	S	S	*	.			trans	-53.7	138.8	175.7	-27.8	36	0	0	0	112.7	E72	P68-E72 WeakPolarHBondContact CA-OE1 3.39Å; P68-E72 WeakPolarHBondContact CB-OE1 3.43Å
69	D	91.4	Very high	95.3	Very high	112 Å²	112	79.6 Å²	79.6	60%	0.599	44%	0.439	S	S	*	.			trans	-107.7	-2.9	-179.5	72	6.7	0	0	0	113.4	T67 T71 E72	T67-D69 PolarHBondContact O-N 2.78Å; D69-T71 VanDerWaalsContact OD1-CB 3.25Å; D69-T71 WeakPolarHBondContact OD1-CB 3.36Å; D69-T71 VanDerWaalsContact OD1-CG2 3.32Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.46Å; D69-T71 PolarHBondContact OD1-N 2.9Å; D69-T71 PolarHBondContact OD1-OG1 2.89Å; D69-E72 PolarHBondContact N-OE1 2.84Å
70	G	89.8	Confident	95.2	Very high	32 Å²	32	78.4 Å²	78.4	33%	0.33	43%	0.434	S	S	.	.	S	Bend	trans	91	-0.7	178.6	0	0	0	0	0	114.4	E72	G70-E72 VanDerWaalsContact C-N 3.3Å; G70-E72 WeakPolarHBondContact CA-OE2 3.48Å; G70-E72 PolarHBondContact N-OE2 3Å
71	T	90.8	Very high	95	Very high	105 Å²	105	76.4 Å²	76.4	64%	0.644	42%	0.424	S	S	*	.			trans	-85	-6.2	172.9	68.3	0	0	0	0	112.7	D69	D69-T71 VanDerWaalsContact OD1-CB 3.25Å; D69-T71 WeakPolarHBondContact OD1-CB 3.36Å; D69-T71 VanDerWaalsContact OD1-CG2 3.32Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.46Å; D69-T71 PolarHBondContact OD1-N 2.9Å; D69-T71 PolarHBondContact OD1-OG1 2.89Å
72	E	92.3	Very high	93.7	Very high	76 Å²	76	74.4 Å²	74.4	36%	0.355	42%	0.417	S	S	.	.			trans	-64.3	135.1	178.1	-57	79.7	-174.2	0	0	111.1	P68 D69 G70 V93	P68-E72 WeakPolarHBondContact CA-OE1 3.39Å; P68-E72 WeakPolarHBondContact CB-OE1 3.43Å; D69-E72 PolarHBondContact N-OE1 2.84Å; G70-E72 VanDerWaalsContact C-N 3.3Å; G70-E72 WeakPolarHBondContact CA-OE2 3.48Å; G70-E72 PolarHBondContact N-OE2 3Å; E72-V93 HydrophobicContact CB-CG1 4.34Å; E72-V93 WeakPolarHBondContact O-CG1 3.41Å
73	Q	94	Very high	92.7	Very high	122 Å²	122	73.5 Å²	73.5	57%	0.57	42%	0.423	S	S	*	.			trans	-156.5	152.5	177.1	57.9	177.6	38.4	0	0	110.2	F76 V93	Q73-F76 WeakPolarHBondContact O-CZ 3.25Å; Q73-V93 WeakPolarHBondContact CA-O 3.26Å
74	G	94.8	Very high	91.6	Very high	34 Å²	34	75.2 Å²	75.2	35%	0.351	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	131.1	-175.9	174.8	0	0	0	0	0	113.9	K92 V93	G74-K92 WeakPolarHBondContact O-CA 3.33Å; G74-V93 PolarHBondContact N-O 2.74Å; G74-V93 PolarHBondContact O-N 2.77Å
75	E	96.2	Very high	91	Very high	64 Å²	64	73.8 Å²	73.8	30%	0.299	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.4	172.9	-56.8	-168.8	161.1	0	0	108.8	V91 K92 K142 L144	E75-V91 CarbonylContact C-O 3.59Å; E75-V91 WeakPolarHBondContact CA-O 3.42Å; E75-K92 HydrophobicContact CG-CD 4.49Å; E75-K92 HydrophobicContact CG-CG 4.06Å; E75-K142 IonicContact OE2-NZ 2.98Å; E75-K142 PolarHBondContact OE2-NZ 3.36Å; E75-L144 HydrophobicContact CB-CD2 3.97Å
76	F	97.9	Very high	90.8	Very high	74 Å²	74	62.9 Å²	62.9	33%	0.325	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.3	-174.8	-53.7	-88.1	0	0	0	110.2	Q73 V91 V93 P145	Q73-F76 WeakPolarHBondContact O-CZ 3.25Å; F76-V91 PolarHBondContact N-O 3.39Å; F76-V91 PolarHBondContact O-N 3.43Å; F76-V93 HydrophobicContact CD2-CG2 4.45Å; F76-V93 HydrophobicContact CE2-CG2 4.31Å; F76-P145 HydrophobicContact CD1-CB 3.98Å; F76-P145 HydrophobicContact CD1-CG 4.03Å; F76-P145 HydrophobicContact CE1-CB 4.43Å; F76-P145 HydrophobicContact CE1-CG 4.18Å
77	L	98.4	Very high	90.7	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.063	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.9	163.9	-68.4	165.1	0	0	0	109.2	L89 L90 L130 F133 L134 I139 L144 P145 L146 G147	L77-L89 CarbonylContact C-O 3.57Å; L77-L89 WeakPolarHBondContact CA-O 3.43Å; L77-L90 HydrophobicContact CD2-CD1 4.33Å; L77-L130 HydrophobicContact CD1-CD1 4.48Å; L77-F133 HydrophobicContact CD2-CD1 4.38Å; L77-F133 HydrophobicContact CD2-CE1 4.04Å; L77-L134 HydrophobicContact CD1-CD2 3.75Å; L77-L134 HydrophobicContact CD2-CD2 3.88Å; L77-L134 HydrophobicContact CG-CD2 4.47Å; L77-I139 HydrophobicContact CD2-CD1 4.26Å; L77-L144 HydrophobicContact CD1-CB 4.04Å; L77-L144 HydrophobicContact CD1-CD1 4.41Å; L77-L144 HydrophobicContact CD2-CD1 4.43Å; L77-L144 HydrophobicContact CG-CB 4.09Å; L77-L144 HydrophobicContact CG-CD1 4.06Å; L77-P145 PolarHBondContact N-O 3.32Å; L77-L146 HydrophobicContact CB-CB 4.19Å; L77-L146 HydrophobicContact CB-CD1 4.17Å; L77-L146 HydrophobicContact CB-CG 4.12Å; L77-L146 HydrophobicContact CD1-CD1 4.48Å; L77-L146 CarbonylContact O-C 3.55Å; L77-L146 WeakPolarHBondContact O-CA 3.38Å; L77-G147 PolarHBondContact O-N 3.12Å
78	A	97.8	Very high	90.8	Very high	23 Å²	23	57.9 Å²	57.9	19%	0.19	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.5	168.4	0	0	0	0	0	110.7	I88 L89 G147	A78-I88 CarbonylContact O-C 3.52Å; A78-I88 WeakPolarHBondContact O-CA 3.47Å; A78-L89 HydrophobicContact CB-CB 4.24Å; A78-L89 HydrophobicContact CB-CD1 4.16Å; A78-L89 PolarHBondContact N-O 2.81Å; A78-L89 PolarHBondContact O-N 2.97Å; A78-G147 CarbonylContact C-O 3.48Å; A78-G147 VanDerWaalsContact CA-O 3.3Å; A78-G147 WeakPolarHBondContact CA-O 3.41Å
79	L	97.5	Very high	91.1	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.037	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.2	167.9	-57.1	-177	0	0	0	108.5	F86 I88 I126 L130 L146 G147 F148 T149	L79-F86 HydrophobicContact CB-CE2 4.28Å; L79-F86 HydrophobicContact CD2-CE2 4.43Å; L79-F86 HydrophobicContact CD2-CZ 4.21Å; L79-I88 HydrophobicContact CD2-CB 4.33Å; L79-I88 HydrophobicContact CD2-CD1 4.04Å; L79-I88 HydrophobicContact CD2-CG1 3.79Å; L79-I88 HydrophobicContact CD2-CG2 4.01Å; L79-I126 HydrophobicContact CD1-CG2 3.97Å; L79-L130 HydrophobicContact CD2-CD1 4.33Å; L79-L146 HydrophobicContact CD1-CD1 4.12Å; L79-L146 HydrophobicContact CD1-CD2 3.99Å; L79-L146 HydrophobicContact CD2-CD1 4.48Å; L79-L146 HydrophobicContact CG-CD1 4.07Å; L79-L146 HydrophobicContact CG-CD2 4.06Å; L79-L146 HydrophobicContact CG-CG 4.3Å; L79-G147 PolarHBondContact N-O 2.89Å; L79-F148 HydrophobicContact CB-CD2 3.54Å; L79-F148 HydrophobicContact CB-CE2 3.8Å; L79-F148 HydrophobicContact CB-CG 4Å; L79-F148 HydrophobicContact CB-CZ 4.47Å; L79-F148 HydrophobicContact CD1-CD1 4.1Å; L79-F148 HydrophobicContact CD1-CD2 4.4Å; L79-F148 HydrophobicContact CD1-CE1 4.12Å; L79-F148 HydrophobicContact CD1-CE2 4.44Å; L79-F148 HydrophobicContact CD1-CG 4.24Å; L79-F148 HydrophobicContact CD1-CZ 4.31Å; L79-T149 PolarHBondContact O-N 3.32Å
80	D	95.6	Very high	91.4	Very high	42 Å²	42	49.4 Å²	49.4	23%	0.225	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	105.6	178.6	179.8	20	0	0	0	110.6	F86 R87 L89	D80-F86 WeakPolarHBondContact O-CA 3.41Å; D80-F86 VanDerWaalsContact O-CD2 3.29Å; D80-F86 WeakPolarHBondContact O-CD2 3.5Å; D80-R87 HydrophobicContact CB-CB 4.2Å; D80-R87 PolarHBondContact N-O 3.41Å; D80-R87 PolarHBondContact O-N 3.18Å; D80-L89 HydrophobicContact CB-CD1 4.44Å
81	L	90.2	Very high	91.8	Very high	16 Å²	16	49 Å²	49	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.1	-176.8	-174.9	68.2	0	0	0	110.6	F86 I110 L122 I126 F148 T149 F150 S151	L81-F86 HydrophobicContact CB-CD2 4.17Å; L81-F86 HydrophobicContact CD1-CB 4.18Å; L81-F86 HydrophobicContact CD1-CD2 4.01Å; L81-F86 HydrophobicContact CD1-CG 4.3Å; L81-I110 HydrophobicContact CD1-CD1 3.31Å; L81-L122 HydrophobicContact CD2-CD2 4.49Å; L81-I126 HydrophobicContact CD2-CD1 3.77Å; L81-F148 HydrophobicContact CB-CE2 3.72Å; L81-F148 HydrophobicContact CB-CZ 4.29Å; L81-F148 HydrophobicContact CD2-CE2 4.35Å; L81-F148 HydrophobicContact CD2-CZ 4.1Å; L81-T149 PolarHBondContact N-O 2.93Å; L81-F150 HydrophobicContact CB-CD2 4.5Å; L81-F150 HydrophobicContact CD2-CD2 3.91Å; L81-F150 HydrophobicContact CD2-CE2 3.7Å; L81-S151 PolarHBondContact O-N 3.17Å; L81-S151 PolarHBondContact O-OG 2.99Å
82	G	69.4	Low	92	Very high	33 Å²	33	47.2 Å²	47.2	34%	0.34	27%	0.273	S	S	.	.	S	Bend	trans	119.4	18.1	174.1	0	0	0	0	0	115.6
83	G	74	Confident	92.1	Very high	60 Å²	60	45.2 Å²	45.2	62%	0.619	27%	0.265	S	S	*	.	S	Bend	trans	-111.8	-154.7	159.6	0	0	0	0	0	111.7	N85	G83-N85 PolarHBondContact O-N 2.83Å
84	S	74.2	Confident	91.8	Very high	122 Å²	122	44 Å²	44	85%	0.853	26%	0.258	S	S	*	.	S	Bend	trans	-71.5	-15.6	176.2	-49.5	0	0	0	0	114.3
85	N	83.1	Confident	90.6	Very high	67 Å²	67	43.7 Å²	43.7	36%	0.358	26%	0.255	S	S	.	.	S	Bend	trans	-141.1	143.2	-174.5	-65.5	-68.9	0	0	0	110.1	G83 I107	G83-N85 PolarHBondContact O-N 2.83Å; N85-I107 HydrophobicContact CB-CG2 3.92Å
86	F	94	Very high	88.9	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.5	168.7	169.4	-125.4	0	0	0	109.9	L79 D80 L81 I88 I107 Y108 I110 I126 C129	L79-F86 HydrophobicContact CB-CE2 4.28Å; L79-F86 HydrophobicContact CD2-CE2 4.43Å; L79-F86 HydrophobicContact CD2-CZ 4.21Å; D80-F86 WeakPolarHBondContact O-CA 3.41Å; D80-F86 VanDerWaalsContact O-CD2 3.29Å; D80-F86 WeakPolarHBondContact O-CD2 3.5Å; L81-F86 HydrophobicContact CB-CD2 4.17Å; L81-F86 HydrophobicContact CD1-CB 4.18Å; L81-F86 HydrophobicContact CD1-CD2 4.01Å; L81-F86 HydrophobicContact CD1-CG 4.3Å; F86-I88 HydrophobicContact CE1-CD1 4Å; F86-I88 HydrophobicContact CE1-CG1 4Å; F86-I88 HydrophobicContact CE2-CG1 4.34Å; F86-I88 HydrophobicContact CZ-CD1 3.86Å; F86-I88 HydrophobicContact CZ-CG1 3.66Å; F86-I107 WeakPolarHBondContact O-CA 3.36Å; F86-Y108 PolarHBondContact O-N 2.89Å; F86-I110 HydrophobicContact CB-CD1 3.51Å; F86-I110 HydrophobicContact CB-CG1 3.74Å; F86-I110 HydrophobicContact CD1-CD1 4.13Å; F86-I110 HydrophobicContact CD1-CG1 4.21Å; F86-I110 HydrophobicContact CG-CD1 3.85Å; F86-I110 HydrophobicContact CG-CG1 4.26Å; F86-I126 HydrophobicContact CE1-CG1 4.29Å; F86-I126 HydrophobicContact CE2-CG1 4.48Å; F86-I126 HydrophobicContact CZ-CB 4.37Å; F86-I126 HydrophobicContact CZ-CG1 4.12Å; F86-I126 HydrophobicContact CZ-CG2 3.92Å; F86-C129 HydrophobicContact CE1-CB 3.73Å
87	R	96.4	Very high	87	Confident	105 Å²	105	48.4 Å²	48.4	40%	0.396	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.8	-177.6	-55.7	176.8	177.1	159.8	-2.6	111.8	D80 L89 Q106 I107	D80-R87 HydrophobicContact CB-CB 4.2Å; D80-R87 PolarHBondContact N-O 3.41Å; D80-R87 PolarHBondContact O-N 3.18Å; R87-L89 HydrophobicContact CB-CD1 4.13Å; R87-Q106 WeakPolarHBondContact CA-O 3.09Å; R87-I107 HydrophobicContact CG-CG1 3.94Å
88	I	98	Very high	85.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132	169.2	-52.6	-172.1	0	0	0	107.7	A78 L79 F86 S105 Q106 Y108 C129 L130 F133	A78-I88 CarbonylContact O-C 3.52Å; A78-I88 WeakPolarHBondContact O-CA 3.47Å; L79-I88 HydrophobicContact CD2-CB 4.33Å; L79-I88 HydrophobicContact CD2-CD1 4.04Å; L79-I88 HydrophobicContact CD2-CG1 3.79Å; L79-I88 HydrophobicContact CD2-CG2 4.01Å; F86-I88 HydrophobicContact CE1-CD1 4Å; F86-I88 HydrophobicContact CE1-CG1 4Å; F86-I88 HydrophobicContact CE2-CG1 4.34Å; F86-I88 HydrophobicContact CZ-CD1 3.86Å; F86-I88 HydrophobicContact CZ-CG1 3.66Å; I88-S105 CarbonylContact O-C 3.58Å; I88-S105 VanDerWaalsContact O-CA 3.31Å; I88-S105 WeakPolarHBondContact O-CA 3.46Å; I88-Q106 PolarHBondContact N-O 3.41Å; I88-Q106 PolarHBondContact O-N 3.2Å; I88-Y108 HydrophobicContact CB-CE2 4.24Å; I88-Y108 HydrophobicContact CD1-CD2 4.02Å; I88-Y108 HydrophobicContact CD1-CE2 3.8Å; I88-Y108 HydrophobicContact CG1-CD2 3.97Å; I88-Y108 HydrophobicContact CG1-CE2 3.97Å; I88-C129 VanDerWaalsContact CD1-C 3.5Å; I88-C129 HydrophobicContact CD1-CB 3.89Å; I88-L130 VanDerWaalsContact CD1-CA 3.47Å; I88-L130 HydrophobicContact CD1-CB 4.02Å; I88-L130 HydrophobicContact CD1-CD1 4.41Å; I88-L130 HydrophobicContact CG2-CD1 4.01Å; I88-F133 HydrophobicContact CB-CB 4.42Å; I88-F133 HydrophobicContact CB-CD1 4.42Å; I88-F133 HydrophobicContact CB-CD2 4.22Å; I88-F133 HydrophobicContact CB-CG 4.1Å; I88-F133 HydrophobicContact CD1-CB 4.28Å; I88-F133 HydrophobicContact CG2-CB 4.05Å; I88-F133 HydrophobicContact CG2-CD1 3.47Å; I88-F133 VanDerWaalsContact CG2-CD1 3.47Å; I88-F133 HydrophobicContact CG2-CD2 4.13Å; I88-F133 HydrophobicContact CG2-CE1 3.87Å; I88-F133 HydrophobicContact CG2-CE2 4.47Å; I88-F133 HydrophobicContact CG2-CG 3.61Å; I88-F133 HydrophobicContact CG2-CZ 4.35Å
89	L	97.8	Very high	83.8	Confident	32 Å²	32	59.9 Å²	59.9	17%	0.168	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.8	-177.6	-52.5	90	0	0	0	111	L77 A78 D80 R87 V91 E104	L77-L89 CarbonylContact C-O 3.57Å; L77-L89 WeakPolarHBondContact CA-O 3.43Å; A78-L89 HydrophobicContact CB-CB 4.24Å; A78-L89 HydrophobicContact CB-CD1 4.16Å; A78-L89 PolarHBondContact N-O 2.81Å; A78-L89 PolarHBondContact O-N 2.97Å; D80-L89 HydrophobicContact CB-CD1 4.44Å; R87-L89 HydrophobicContact CB-CD1 4.13Å; L89-V91 HydrophobicContact CB-CG2 4.17Å; L89-E104 CarbonylContact C-O 3.59Å; L89-E104 VanDerWaalsContact CA-O 3.25Å; L89-E104 WeakPolarHBondContact CA-O 3.42Å
90	L	98.1	Very high	83.3	Confident	8 Å²	8	65 Å²	65	4%	0.042	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.7	159.4	175.8	66.8	0	0	0	107.7	L77 M103 E104 F133 I139 L144	L77-L90 HydrophobicContact CD2-CD1 4.33Å; L90-M103 WeakPolarHBondContact O-CA 3.34Å; L90-E104 HydrophobicContact CB-CB 4.36Å; L90-E104 PolarHBondContact N-O 2.91Å; L90-E104 PolarHBondContact O-N 3.47Å; L90-F133 HydrophobicContact CB-CE1 4.07Å; L90-F133 HydrophobicContact CB-CZ 4.04Å; L90-I139 HydrophobicContact CD1-CD1 4.17Å; L90-I139 HydrophobicContact CD2-CD1 4.2Å; L90-L144 HydrophobicContact CD1-CD1 3.69Å
91	V	97	Very high	83.1	Confident	25 Å²	25	66.5 Å²	66.5	15%	0.152	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.2	-178.8	-174.7	0	0	0	0	108.9	E75 F76 L89 V93 V101 M103	E75-V91 CarbonylContact C-O 3.59Å; E75-V91 WeakPolarHBondContact CA-O 3.42Å; F76-V91 PolarHBondContact N-O 3.39Å; F76-V91 PolarHBondContact O-N 3.43Å; L89-V91 HydrophobicContact CB-CG2 4.17Å; V91-V93 HydrophobicContact CG1-CG2 4.14Å; V91-V101 HydrophobicContact CG1-CG1 3.85Å; V91-M103 HydrophobicContact CG1-CG 4.24Å; V91-M103 HydrophobicContact CG2-CG 4.25Å
92	K	95.7	Very high	83.3	Confident	67 Å²	67	68.7 Å²	68.7	29%	0.291	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117	175.1	-53.3	-177.6	-177.7	169.6	0	108.9	G74 E75 V101 E102	G74-K92 WeakPolarHBondContact O-CA 3.33Å; E75-K92 HydrophobicContact CG-CD 4.49Å; E75-K92 HydrophobicContact CG-CG 4.06Å; K92-V101 WeakPolarHBondContact O-CA 3.41Å; K92-E102 HydrophobicContact CB-CB 4.3Å; K92-E102 PolarHBondContact N-O 3.41Å; K92-E102 PolarHBondContact O-N 2.99Å
93	V	94.1	Very high	84.5	Confident	33 Å²	33	72.8 Å²	72.8	20%	0.2	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.3	176.3	-171.1	0	0	0	0	107.5	E72 Q73 G74 F76 V91	E72-V93 HydrophobicContact CB-CG1 4.34Å; E72-V93 WeakPolarHBondContact O-CG1 3.41Å; Q73-V93 WeakPolarHBondContact CA-O 3.26Å; G74-V93 PolarHBondContact N-O 2.74Å; G74-V93 PolarHBondContact O-N 2.77Å; F76-V93 HydrophobicContact CD2-CG2 4.45Å; F76-V93 HydrophobicContact CE2-CG2 4.31Å; V91-V93 HydrophobicContact CG1-CG2 4.14Å
94	K	87.5	Confident	85.6	Confident	97 Å²	97	75.4 Å²	75.4	42%	0.422	41%	0.408	S	S	.	.			trans	-80	129.9	177.4	-65	-173.5	-174.6	174.1	0	109.8	K100 E102	K94-K100 PolarHBondContact N-O 2.96Å; K94-E102 WeakPolarHBondContact CE-OE1 3.46Å; K94-E102 IonicContact NZ-OE1 2.74Å; K94-E102 PolarHBondContact NZ-OE1 3.08Å; K94-E102 IonicContact NZ-OE2 2.65Å
95	G	70.7	Confident	86.7	Confident	28 Å²	28	73.2 Å²	73.2	29%	0.289	39%	0.393	S	S	.	.			trans	-80.1	163.1	167.5	0	0	0	0	0	111.6
96	N	58.9	Low	87.3	Confident	160 Å²	160	72.9 Å²	72.9	86%	0.856	39%	0.389	S	S	*	.	S	Bend	trans	89.8	49.7	171.3	-49.4	-26.8	0	0	0	117.7	D98	N96-D98 VanDerWaalsContact C-N 3.29Å; N96-D98 PolarHBondContact O-N 2.88Å
97	G	59	Low	87.4	Confident	77 Å²	77	76.8 Å²	76.8	79%	0.794	41%	0.409	S	S	*	.	S	Bend	trans	88.6	-25.6	161.7	0	0	0	0	0	115.6
98	D	63.1	Low	87.4	Confident	134 Å²	134	73 Å²	73	72%	0.717	40%	0.395	S	S	*	.			trans	-93.9	93.2	161.9	-90.3	-19.8	0	0	0	108.4	N96 K100	N96-D98 VanDerWaalsContact C-N 3.29Å; N96-D98 PolarHBondContact O-N 2.88Å; D98-K100 PolarHBondContact O-N 3.47Å
99	Q	66.4	Low	87.1	Confident	142 Å²	142	79.2 Å²	79.2	66%	0.664	43%	0.428	S	S	*	.			trans	-69.7	53.6	176.3	-68.6	-175.9	-29.5	0	0	112	V101	Q99-V101 PolarHBondContact O-N 3.27Å
100	K	85.2	Confident	86.8	Confident	115 Å²	115	79.3 Å²	79.3	50%	0.5	43%	0.428	S	S	.	.			trans	-84.5	117	178.7	-165.5	-173.9	-179.9	-154.5	0	109.1	K94 D98 E102	K94-K100 PolarHBondContact N-O 2.96Å; D98-K100 PolarHBondContact O-N 3.47Å; K100-E102 HydrophobicContact CD-CG 4.41Å; K100-E102 WeakPolarHBondContact CE-OE1 3.47Å; K100-E102 HydrophobicContact CG-CG 4.49Å; K100-E102 IonicContact NZ-OE1 3.53Å; K100-E102 PolarHBondContact NZ-OE1 2.97Å
101	V	92.3	Very high	86.5	Confident	73 Å²	73	82 Å²	82	44%	0.442	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.4	170.1	-176.3	0	0	0	0	108.5	V91 K92 Q99 M103	V91-V101 HydrophobicContact CG1-CG1 3.85Å; K92-V101 WeakPolarHBondContact O-CA 3.41Å; Q99-V101 PolarHBondContact O-N 3.27Å; V101-M103 HydrophobicContact CG1-CE 4.29Å; V101-M103 HydrophobicContact CG1-CG 3.96Å; V101-M103 HydrophobicContact CG1-SD 4.36Å
102	E	94.6	Very high	86.1	Confident	61 Å²	61	86 Å²	86	29%	0.285	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.8	172.4	-66.8	172.9	-180	0	0	108.6	K92 K94 K100	K92-E102 HydrophobicContact CB-CB 4.3Å; K92-E102 PolarHBondContact N-O 3.41Å; K92-E102 PolarHBondContact O-N 2.99Å; K94-E102 WeakPolarHBondContact CE-OE1 3.46Å; K94-E102 IonicContact NZ-OE1 2.74Å; K94-E102 PolarHBondContact NZ-OE1 3.08Å; K94-E102 IonicContact NZ-OE2 2.65Å; K100-E102 HydrophobicContact CD-CG 4.41Å; K100-E102 WeakPolarHBondContact CE-OE1 3.47Å; K100-E102 HydrophobicContact CG-CG 4.49Å; K100-E102 IonicContact NZ-OE1 3.53Å; K100-E102 PolarHBondContact NZ-OE1 2.97Å
103	M	95.4	Very high	85.9	Confident	120 Å²	120	90 Å²	90	59%	0.591	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.6	-175.9	-68.2	-177.7	-83.8	0	0	110.2	L90 V91 V101	L90-M103 WeakPolarHBondContact O-CA 3.34Å; V91-M103 HydrophobicContact CG1-CG 4.24Å; V91-M103 HydrophobicContact CG2-CG 4.25Å; V101-M103 HydrophobicContact CG1-CE 4.29Å; V101-M103 HydrophobicContact CG1-CG 3.96Å; V101-M103 HydrophobicContact CG1-SD 4.36Å
104	E	96.8	Very high	85.7	Confident	114 Å²	114	89.8 Å²	89.8	53%	0.533	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.8	165.7	-64.9	-68.1	174.1	0	0	107.8	L89 L90 M137	L89-E104 CarbonylContact C-O 3.59Å; L89-E104 VanDerWaalsContact CA-O 3.25Å; L89-E104 WeakPolarHBondContact CA-O 3.42Å; L90-E104 HydrophobicContact CB-CB 4.36Å; L90-E104 PolarHBondContact N-O 2.91Å; L90-E104 PolarHBondContact O-N 3.47Å; E104-M137 HydrophobicContact CB-SD 4.36Å
105	S	95.8	Very high	85.7	Confident	76 Å²	76	90.4 Å²	90.4	53%	0.531	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.4	-176.3	71	0	0	0	0	112.7	I88	I88-S105 CarbonylContact O-C 3.58Å; I88-S105 VanDerWaalsContact O-CA 3.31Å; I88-S105 WeakPolarHBondContact O-CA 3.46Å
106	Q	97.1	Very high	86.5	Confident	60 Å²	60	98.3 Å²	98.3	28%	0.28	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.5	171.5	-178.6	152.5	21.1	0	0	110.2	R87 I88 Y108 F133	R87-Q106 WeakPolarHBondContact CA-O 3.09Å; I88-Q106 PolarHBondContact N-O 3.41Å; I88-Q106 PolarHBondContact O-N 3.2Å; Q106-Y108 HydrophobicContact CB-CD2 4.43Å; Q106-Y108 HydrophobicContact CB-CE2 3.78Å; Q106-Y108 HydrophobicContact CG-CD2 4.04Å; Q106-Y108 HydrophobicContact CG-CE2 3.51Å; Q106-Y108 PolarHBondContact OE1-OH 2.74Å; Q106-F133 HydrophobicContact CB-CD2 3.81Å; Q106-F133 HydrophobicContact CB-CE2 4.01Å
107	I	96.3	Very high	88	Confident	85 Å²	85	92.6 Å²	92.6	44%	0.436	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	137.6	169.5	-65.1	165.5	0	0	0	108.5	N85 F86 R87	N85-I107 HydrophobicContact CB-CG2 3.92Å; F86-I107 WeakPolarHBondContact O-CA 3.36Å; R87-I107 HydrophobicContact CG-CG1 3.94Å
108	Y	95.4	Very high	89.6	Confident	25 Å²	25	91.4 Å²	91.4	10%	0.098	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133	172.6	-71.3	-91.3	0	0	0	108.8	F86 I88 Q106 C129 N132 F133	F86-Y108 PolarHBondContact O-N 2.89Å; I88-Y108 HydrophobicContact CB-CE2 4.24Å; I88-Y108 HydrophobicContact CD1-CD2 4.02Å; I88-Y108 HydrophobicContact CD1-CE2 3.8Å; I88-Y108 HydrophobicContact CG1-CD2 3.97Å; I88-Y108 HydrophobicContact CG1-CE2 3.97Å; Q106-Y108 HydrophobicContact CB-CD2 4.43Å; Q106-Y108 HydrophobicContact CB-CE2 3.78Å; Q106-Y108 HydrophobicContact CG-CD2 4.04Å; Q106-Y108 HydrophobicContact CG-CE2 3.51Å; Q106-Y108 PolarHBondContact OE1-OH 2.74Å; Y108-C129 HydrophobicContact CD1-CB 3.68Å; Y108-C129 WeakPolarHBondContact CD1-SG 3.46Å; Y108-C129 HydrophobicContact CD2-CB 4.13Å; Y108-C129 HydrophobicContact CE1-CB 3.97Å; Y108-C129 HydrophobicContact CE2-CB 4.4Å; Y108-C129 HydrophobicContact CG-CB 3.77Å; Y108-C129 PolarHBondContact OH-O 3.03Å; Y108-N132 HydrophobicContact CE1-CB 4.42Å; Y108-N132 PolarHBondContact OH-OD1 3.14Å; Y108-F133 HydrophobicContact CE2-CB 4.3Å; Y108-F133 WeakPolarHBondContact OH-CA 3.25Å; Y108-F133 WeakPolarHBondContact OH-CB 3.44Å; Y108-F133 PolarHBondContact OH-N 3.05Å
109	D	92.9	Very high	90.9	Very high	132 Å²	132	87.3 Å²	87.3	71%	0.706	46%	0.464	S	S	*	.			trans	-73.4	138.5	172.1	-63.6	-34.7	0	0	0	109.3	H125	D109-H125 PolarHBondContact O-CE1 3.49Å; D109-H125 PolarHBondContact O-NE2 3.32Å
110	I	90.8	Very high	92.2	Very high	33 Å²	33	84.4 Å²	84.4	17%	0.169	46%	0.459	C	S	.	.			trans	-106.8	112.4	168.1	-58.8	-175.1	0	0	0	106.6	L81 F86 D112 V114 M115 L122	L81-I110 HydrophobicContact CD1-CD1 3.31Å; F86-I110 HydrophobicContact CB-CD1 3.51Å; F86-I110 HydrophobicContact CB-CG1 3.74Å; F86-I110 HydrophobicContact CD1-CD1 4.13Å; F86-I110 HydrophobicContact CD1-CG1 4.21Å; F86-I110 HydrophobicContact CG-CD1 3.85Å; F86-I110 HydrophobicContact CG-CG1 4.26Å; I110-D112 PolarHBondContact O-N 2.99Å; I110-V114 HydrophobicContact CG2-CB 4.12Å; I110-V114 HydrophobicContact CG2-CG1 4Å; I110-M115 HydrophobicContact CG2-CB 4.07Å; I110-L122 HydrophobicContact CD1-CD1 4.19Å; I110-L122 HydrophobicContact CG2-CD1 4.15Å
111	P	91.3	Very high	92.6	Very high	66 Å²	66	82.8 Å²	82.8	43%	0.429	46%	0.456	S	S	.	.			trans	-55.5	141.1	177.4	-24.8	33.6	0	0	0	111.4	L113 V114 M115	P111-L113 PolarHBondContact O-N 3.48Å; P111-L113 VanDerWaalsContact O-N 3.1Å; P111-V114 HydrophobicContact CB-CB 4.47Å; P111-V114 HydrophobicContact CB-CG2 4.12Å; P111-V114 HydrophobicContact CG-CG2 4.19Å; P111-V114 WeakPolarHBondContact O-CA 3.29Å; P111-V114 WeakPolarHBondContact O-CB 3.43Å; P111-V114 PolarHBondContact O-N 2.88Å; P111-M115 PolarHBondContact O-N 2.88Å
112	D	89.3	Confident	92.6	Very high	109 Å²	109	80.8 Å²	80.8	58%	0.583	44%	0.443	S	S	*	.	H	α-helix	trans	-53.7	-36.1	-179.9	-82.2	-32.1	0	0	0	113	I110 V114 M115 R116	I110-D112 PolarHBondContact O-N 2.99Å; D112-V114 VanDerWaalsContact C-N 3.31Å; D112-V114 PolarHBondContact O-N 3.03Å; D112-M115 PolarHBondContact O-N 2.97Å; D112-M115 WeakPolarHBondContact OD1-CE 3.37Å; D112-R116 WeakPolarHBondContact O-CB 3.4Å; D112-R116 WeakPolarHBondContact O-CG 3.31Å; D112-R116 PolarHBondContact O-N 3.15Å
113	L	90.3	Very high	92.6	Very high	151 Å²	151	82 Å²	82	79%	0.791	45%	0.447	S	S	*	.	H	α-helix	trans	-64.2	-36.2	177.1	-176.4	64.9	0	0	0	112.3	P111 G117	P111-L113 PolarHBondContact O-N 3.48Å; P111-L113 VanDerWaalsContact O-N 3.1Å; L113-G117 VanDerWaalsContact O-CA 3.26Å; L113-G117 WeakPolarHBondContact O-CA 3.46Å; L113-G117 PolarHBondContact O-N 3.08Å
114	V	91.1	Very high	92.7	Very high	28 Å²	28	81.1 Å²	81.1	17%	0.17	45%	0.445	C	S	.	.	H	α-helix	trans	-74.5	-44.3	176.7	175.6	0	0	0	0	109.8	I110 P111 D112 R116 G117 L122 H125	I110-V114 HydrophobicContact CG2-CB 4.12Å; I110-V114 HydrophobicContact CG2-CG1 4Å; P111-V114 HydrophobicContact CB-CB 4.47Å; P111-V114 HydrophobicContact CB-CG2 4.12Å; P111-V114 HydrophobicContact CG-CG2 4.19Å; P111-V114 WeakPolarHBondContact O-CA 3.29Å; P111-V114 WeakPolarHBondContact O-CB 3.43Å; P111-V114 PolarHBondContact O-N 2.88Å; D112-V114 VanDerWaalsContact C-N 3.31Å; D112-V114 PolarHBondContact O-N 3.03Å; V114-R116 PolarHBondContact O-N 2.92Å; V114-G117 PolarHBondContact O-N 3.41Å; V114-G117 VanDerWaalsContact O-N 3.08Å; V114-L122 HydrophobicContact CG1-CB 4.42Å; V114-L122 HydrophobicContact CG1-CD1 4.27Å; V114-H125 HydrophobicContact CG1-CB 3.84Å
115	M	88.1	Confident	92.6	Very high	110 Å²	110	77.6 Å²	77.6	54%	0.542	43%	0.428	S	S	.	.	H	α-helix	trans	-61.3	-32.4	178.9	-174.1	170.4	59.8	0	0	112.9	I110 P111 D112	I110-M115 HydrophobicContact CG2-CB 4.07Å; P111-M115 PolarHBondContact O-N 2.88Å; D112-M115 PolarHBondContact O-N 2.97Å; D112-M115 WeakPolarHBondContact OD1-CE 3.37Å
116	R	87.1	Confident	92.6	Very high	194 Å²	194	74.3 Å²	74.3	73%	0.732	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	2.4	177.1	-60.4	175.4	-174.3	-89.4	-0.5	113.3	D112 V114	D112-R116 WeakPolarHBondContact O-CB 3.4Å; D112-R116 WeakPolarHBondContact O-CG 3.31Å; D112-R116 PolarHBondContact O-N 3.15Å; V114-R116 PolarHBondContact O-N 2.92Å
117	G	89.5	Confident	92.7	Very high	40 Å²	40	74 Å²	74	41%	0.412	41%	0.413	S	S	.	.	S	Bend	trans	-82.9	-155	-176.2	0	0	0	0	0	112.5	L113 V114	L113-G117 VanDerWaalsContact O-CA 3.26Å; L113-G117 WeakPolarHBondContact O-CA 3.46Å; L113-G117 PolarHBondContact O-N 3.08Å; V114-G117 PolarHBondContact O-N 3.41Å; V114-G117 VanDerWaalsContact O-N 3.08Å
118	S	92.6	Very high	92.7	Very high	52 Å²	52	75.4 Å²	75.4	36%	0.364	42%	0.421	S	S	.	.			trans	-76.1	158.2	174.2	76	0	0	0	0	111.3	S120 D121 L122	S118-S120 PolarHBondContact O-N 3.38Å; S118-S120 PolarHBondContact OG-N 3.32Å; S118-D121 WeakPolarHBondContact CB-OD2 3.5Å; S118-D121 PolarHBondContact N-OD2 3.12Å; S118-D121 VanDerWaalsContact N-OD2 3.12Å; S118-D121 PolarHBondContact O-N 2.83Å; S118-D121 PolarHBondContact OG-N 3.27Å; S118-D121 VanDerWaalsContact OG-N 3.11Å; S118-D121 PolarHBondContact OG-OD2 3.49Å; S118-L122 PolarHBondContact O-N 2.86Å; S118-L122 VanDerWaalsContact O-N 3.16Å
119	G	89.8	Confident	92.8	Very high	47 Å²	47	74.7 Å²	74.7	49%	0.485	42%	0.42	S	S	.	.	H	α-helix	trans	-58.1	-36.3	171.4	0	0	0	0	0	112	L122 F123	G119-L122 PolarHBondContact O-N 3.4Å; G119-F123 WeakPolarHBondContact O-CD2 3.38Å; G119-F123 PolarHBondContact O-N 3.03Å
120	S	94.5	Very high	93.1	Very high	81 Å²	81	70 Å²	70	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-59.7	-50.1	175.8	-64.1	0	0	0	0	111.7	S118 L122 F123 D124	S118-S120 PolarHBondContact O-N 3.38Å; S118-S120 PolarHBondContact OG-N 3.32Å; S120-L122 VanDerWaalsContact C-N 3.27Å; S120-L122 PolarHBondContact O-N 2.87Å; S120-F123 PolarHBondContact O-N 3.49Å; S120-D124 WeakPolarHBondContact O-CB 3.3Å; S120-D124 VanDerWaalsContact O-CG 3.27Å; S120-D124 PolarHBondContact O-N 3.18Å
121	D	93.5	Very high	93.4	Very high	82 Å²	82	70.5 Å²	70.5	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-40	179.4	-54.6	-44.1	0	0	0	111.6	S118 H125	S118-D121 WeakPolarHBondContact CB-OD2 3.5Å; S118-D121 PolarHBondContact N-OD2 3.12Å; S118-D121 VanDerWaalsContact N-OD2 3.12Å; S118-D121 PolarHBondContact O-N 2.83Å; S118-D121 PolarHBondContact OG-N 3.27Å; S118-D121 VanDerWaalsContact OG-N 3.11Å; S118-D121 PolarHBondContact OG-OD2 3.49Å; D121-H125 WeakPolarHBondContact O-CB 3.45Å; D121-H125 PolarHBondContact O-N 3.1Å
122	L	92.9	Very high	93.7	Very high	31 Å²	31	70.6 Å²	70.6	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-63.7	-48.2	177.1	177.5	63	0	0	0	112	L81 I110 V114 S118 G119 S120 H125 I126	L81-L122 HydrophobicContact CD2-CD2 4.49Å; I110-L122 HydrophobicContact CD1-CD1 4.19Å; I110-L122 HydrophobicContact CG2-CD1 4.15Å; V114-L122 HydrophobicContact CG1-CB 4.42Å; V114-L122 HydrophobicContact CG1-CD1 4.27Å; S118-L122 PolarHBondContact O-N 2.86Å; S118-L122 VanDerWaalsContact O-N 3.16Å; G119-L122 PolarHBondContact O-N 3.4Å; S120-L122 VanDerWaalsContact C-N 3.27Å; S120-L122 PolarHBondContact O-N 2.87Å; L122-H125 PolarHBondContact O-N 3.47Å; L122-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CG-CD1 4.03Å; L122-I126 WeakPolarHBondContact O-CD1 3.34Å; L122-I126 VanDerWaalsContact O-CG1 3.28Å; L122-I126 WeakPolarHBondContact O-CG1 3.36Å; L122-I126 PolarHBondContact O-N 3.03Å
123	F	94.6	Very high	94.2	Very high	86 Å²	86	65.6 Å²	65.6	38%	0.377	37%	0.373	S	S	.	.	H	α-helix	trans	-72.9	-30.8	-178.4	-76.7	-69.1	0	0	0	112.8	G119 S120 I126 A127 F148	G119-F123 WeakPolarHBondContact O-CD2 3.38Å; G119-F123 PolarHBondContact O-N 3.03Å; S120-F123 PolarHBondContact O-N 3.49Å; F123-I126 HydrophobicContact CD1-CD1 4.08Å; F123-I126 HydrophobicContact CE1-CD1 4.39Å; F123-I126 PolarHBondContact O-N 3.37Å; F123-A127 WeakPolarHBondContact O-CB 3.41Å; F123-A127 PolarHBondContact O-N 2.93Å; F123-F148 HydrophobicContact CE1-CE1 4.02Å; F123-F148 HydrophobicContact CE1-CZ 4.48Å
124	D	96.8	Very high	94.5	Very high	101 Å²	101	59.9 Å²	59.9	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-45.9	171.7	-73	-16.7	0	0	0	110.5	S120 I126 A127 D128	S120-D124 WeakPolarHBondContact O-CB 3.3Å; S120-D124 VanDerWaalsContact O-CG 3.27Å; S120-D124 PolarHBondContact O-N 3.18Å; D124-I126 VanDerWaalsContact C-N 3.34Å; D124-I126 PolarHBondContact O-N 3.25Å; D124-A127 WeakPolarHBondContact O-CB 3.44Å; D124-A127 PolarHBondContact O-N 3.48Å; D124-A127 VanDerWaalsContact O-N 3.16Å; D124-D128 PolarHBondContact O-N 2.93Å
125	H	95.6	Very high	94.8	Very high	40 Å²	40	64.2 Å²	64.2	19%	0.185	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-41.8	174.8	-177.7	80.8	0	0	0	112.7	D109 V114 D121 L122 A127 D128 C129	D109-H125 PolarHBondContact O-CE1 3.49Å; D109-H125 PolarHBondContact O-NE2 3.32Å; V114-H125 HydrophobicContact CG1-CB 3.84Å; D121-H125 WeakPolarHBondContact O-CB 3.45Å; D121-H125 PolarHBondContact O-N 3.1Å; L122-H125 PolarHBondContact O-N 3.47Å; H125-A127 VanDerWaalsContact C-N 3.34Å; H125-D128 PolarHBondContact O-N 3.23Å; H125-C129 WeakPolarHBondContact O-CB 3.41Å; H125-C129 PolarHBondContact O-N 3.32Å; H125-C129 PolarHBondContact O-SG 3.01Å
126	I	96.1	Very high	95.2	Very high	8 Å²	8	64 Å²	64	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-42.8	175.3	-71	163.9	0	0	0	110.9	L79 L81 F86 L122 F123 D124 C129 L130 F148	L79-I126 HydrophobicContact CD1-CG2 3.97Å; L81-I126 HydrophobicContact CD2-CD1 3.77Å; F86-I126 HydrophobicContact CE1-CG1 4.29Å; F86-I126 HydrophobicContact CE2-CG1 4.48Å; F86-I126 HydrophobicContact CZ-CB 4.37Å; F86-I126 HydrophobicContact CZ-CG1 4.12Å; F86-I126 HydrophobicContact CZ-CG2 3.92Å; L122-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CG-CD1 4.03Å; L122-I126 WeakPolarHBondContact O-CD1 3.34Å; L122-I126 VanDerWaalsContact O-CG1 3.28Å; L122-I126 WeakPolarHBondContact O-CG1 3.36Å; L122-I126 PolarHBondContact O-N 3.03Å; F123-I126 HydrophobicContact CD1-CD1 4.08Å; F123-I126 HydrophobicContact CE1-CD1 4.39Å; F123-I126 PolarHBondContact O-N 3.37Å; D124-I126 VanDerWaalsContact C-N 3.34Å; D124-I126 PolarHBondContact O-N 3.25Å; I126-C129 PolarHBondContact O-N 2.92Å; I126-L130 WeakPolarHBondContact O-CB 3.47Å; I126-L130 PolarHBondContact O-N 2.65Å; I126-F148 HydrophobicContact CD1-CZ 4.28Å
127	A	97.6	Very high	95.7	Very high	53 Å²	53	58.3 Å²	58.3	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-42.3	178.2	0	0	0	0	0	111.8	F123 D124 H125 L130 A131	F123-A127 WeakPolarHBondContact O-CB 3.41Å; F123-A127 PolarHBondContact O-N 2.93Å; D124-A127 WeakPolarHBondContact O-CB 3.44Å; D124-A127 PolarHBondContact O-N 3.48Å; D124-A127 VanDerWaalsContact O-N 3.16Å; H125-A127 VanDerWaalsContact C-N 3.34Å; A127-L130 PolarHBondContact O-N 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 3.46Å
128	D	97.8	Very high	96	Very high	115 Å²	115	59.7 Å²	59.7	62%	0.615	35%	0.354	S	S	*	.	H	α-helix	trans	-63.4	-44.1	175.9	-77.6	-18.2	0	0	0	112.1	D124 H125 L130 A131 N132	D124-D128 PolarHBondContact O-N 2.93Å; H125-D128 PolarHBondContact O-N 3.23Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 3.49Å; D128-A131 PolarHBondContact O-N 2.89Å; D128-N132 WeakPolarHBondContact O-CB 3.44Å; D128-N132 PolarHBondContact O-N 2.95Å
129	C	97.5	Very high	96.2	Very high	10 Å²	10	57.7 Å²	57.7	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-43.7	175	-68.6	0	0	0	0	111.4	F86 I88 Y108 H125 I126 N132 F133	F86-C129 HydrophobicContact CE1-CB 3.73Å; I88-C129 VanDerWaalsContact CD1-C 3.5Å; I88-C129 HydrophobicContact CD1-CB 3.89Å; Y108-C129 HydrophobicContact CD1-CB 3.68Å; Y108-C129 WeakPolarHBondContact CD1-SG 3.46Å; Y108-C129 HydrophobicContact CD2-CB 4.13Å; Y108-C129 HydrophobicContact CE1-CB 3.97Å; Y108-C129 HydrophobicContact CE2-CB 4.4Å; Y108-C129 HydrophobicContact CG-CB 3.77Å; Y108-C129 PolarHBondContact OH-O 3.03Å; H125-C129 WeakPolarHBondContact O-CB 3.41Å; H125-C129 PolarHBondContact O-N 3.32Å; H125-C129 PolarHBondContact O-SG 3.01Å; I126-C129 PolarHBondContact O-N 2.92Å; C129-N132 PolarHBondContact O-N 3.18Å; C129-F133 PolarHBondContact O-N 3.27Å
130	L	98.1	Very high	96.4	Very high	34 Å²	34	61.4 Å²	61.4	18%	0.178	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-47.1	176.4	178.8	59.8	0	0	0	111.4	L77 L79 I88 I126 A127 D128 N132 F133 L134 L146	L77-L130 HydrophobicContact CD1-CD1 4.48Å; L79-L130 HydrophobicContact CD2-CD1 4.33Å; I88-L130 VanDerWaalsContact CD1-CA 3.47Å; I88-L130 HydrophobicContact CD1-CB 4.02Å; I88-L130 HydrophobicContact CD1-CD1 4.41Å; I88-L130 HydrophobicContact CG2-CD1 4.01Å; I126-L130 WeakPolarHBondContact O-CB 3.47Å; I126-L130 PolarHBondContact O-N 2.65Å; A127-L130 PolarHBondContact O-N 3.31Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 3.49Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 2.89Å; L130-F133 PolarHBondContact O-N 2.8Å; L130-F133 VanDerWaalsContact O-N 3.14Å; L130-L134 HydrophobicContact CD1-CD1 4.24Å; L130-L134 HydrophobicContact CD1-CD2 4.21Å; L130-L134 HydrophobicContact CD1-CG 4.01Å; L130-L134 HydrophobicContact CG-CD1 4.12Å; L130-L134 HydrophobicContact CG-CG 4.31Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.5Å; L130-L134 PolarHBondContact O-N 3.48Å; L130-L146 HydrophobicContact CD2-CD1 3.9Å
131	A	97.8	Very high	96.4	Very high	42 Å²	42	65.3 Å²	65.3	35%	0.347	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-44	177.1	0	0	0	0	0	111.6	A127 D128 L134 E135	A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 3.46Å; D128-A131 PolarHBondContact O-N 2.89Å; A131-L134 PolarHBondContact O-N 3.36Å; A131-E135 WeakPolarHBondContact O-CB 3.45Å; A131-E135 PolarHBondContact O-N 2.92Å; A131-E135 VanDerWaalsContact O-N 3.08Å
132	N	98	Very high	96.5	Very high	69 Å²	69	66.4 Å²	66.4	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-43.9	175.5	-178.1	-102	0	0	0	112.6	Y108 D128 C129 L130 E135 K136	Y108-N132 HydrophobicContact CE1-CB 4.42Å; Y108-N132 PolarHBondContact OH-OD1 3.14Å; D128-N132 WeakPolarHBondContact O-CB 3.44Å; D128-N132 PolarHBondContact O-N 2.95Å; C129-N132 PolarHBondContact O-N 3.18Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 2.89Å; N132-E135 PolarHBondContact O-N 3.04Å; N132-K136 WeakPolarHBondContact O-CG 3.49Å; N132-K136 PolarHBondContact O-N 2.8Å; N132-K136 VanDerWaalsContact O-N 3.08Å; N132-K136 WeakPolarHBondContact OD1-CE 3.33Å; N132-K136 PolarHBondContact OD1-NZ 3.03Å
133	F	98.1	Very high	96.6	Very high	3 Å²	3	75 Å²	75	1%	0.013	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-47.9	177.4	-178.8	-98.5	0	0	0	111.8	L77 I88 L90 Q106 Y108 C129 L130 E135 K136 M137	L77-F133 HydrophobicContact CD2-CD1 4.38Å; L77-F133 HydrophobicContact CD2-CE1 4.04Å; I88-F133 HydrophobicContact CB-CB 4.42Å; I88-F133 HydrophobicContact CB-CD1 4.42Å; I88-F133 HydrophobicContact CB-CD2 4.22Å; I88-F133 HydrophobicContact CB-CG 4.1Å; I88-F133 HydrophobicContact CD1-CB 4.28Å; I88-F133 HydrophobicContact CG2-CB 4.05Å; I88-F133 HydrophobicContact CG2-CD1 3.47Å; I88-F133 VanDerWaalsContact CG2-CD1 3.47Å; I88-F133 HydrophobicContact CG2-CD2 4.13Å; I88-F133 HydrophobicContact CG2-CE1 3.87Å; I88-F133 HydrophobicContact CG2-CE2 4.47Å; I88-F133 HydrophobicContact CG2-CG 3.61Å; I88-F133 HydrophobicContact CG2-CZ 4.35Å; L90-F133 HydrophobicContact CB-CE1 4.07Å; L90-F133 HydrophobicContact CB-CZ 4.04Å; Q106-F133 HydrophobicContact CB-CD2 3.81Å; Q106-F133 HydrophobicContact CB-CE2 4.01Å; Y108-F133 HydrophobicContact CE2-CB 4.3Å; Y108-F133 WeakPolarHBondContact OH-CA 3.25Å; Y108-F133 WeakPolarHBondContact OH-CB 3.44Å; Y108-F133 PolarHBondContact OH-N 3.05Å; C129-F133 PolarHBondContact O-N 3.27Å; L130-F133 PolarHBondContact O-N 2.8Å; L130-F133 VanDerWaalsContact O-N 3.14Å; F133-E135 VanDerWaalsContact C-N 3.26Å; F133-E135 PolarHBondContact O-N 3.47Å; F133-K136 PolarHBondContact O-N 3.38Å; F133-M137 HydrophobicContact CD1-CG 4.25Å; F133-M137 HydrophobicContact CD2-CG 4.43Å; F133-M137 HydrophobicContact CE1-CG 3.88Å; F133-M137 HydrophobicContact CE2-CG 4.08Å; F133-M137 HydrophobicContact CZ-CG 3.8Å; F133-M137 HydrophobicContact CZ-SD 4.45Å; F133-M137 WeakPolarHBondContact O-CB 3.42Å; F133-M137 WeakPolarHBondContact O-CG 3.26Å; F133-M137 PolarHBondContact O-N 3.43Å
134	L	97.9	Very high	96.8	Very high	31 Å²	31	72.8 Å²	72.8	16%	0.162	39%	0.385	C	S	.	.	H	α-helix	trans	-61.8	-35.2	179.8	-64.2	178	0	0	0	112.3	L77 L130 A131 G138 I139 K140	L77-L134 HydrophobicContact CD1-CD2 3.75Å; L77-L134 HydrophobicContact CD2-CD2 3.88Å; L77-L134 HydrophobicContact CG-CD2 4.47Å; L130-L134 HydrophobicContact CD1-CD1 4.24Å; L130-L134 HydrophobicContact CD1-CD2 4.21Å; L130-L134 HydrophobicContact CD1-CG 4.01Å; L130-L134 HydrophobicContact CG-CD1 4.12Å; L130-L134 HydrophobicContact CG-CG 4.31Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.5Å; L130-L134 PolarHBondContact O-N 3.48Å; A131-L134 PolarHBondContact O-N 3.36Å; L134-G138 PolarHBondContact O-N 3.48Å; L134-G138 VanDerWaalsContact O-N 3.16Å; L134-I139 HydrophobicContact CB-CG1 4.32Å; L134-I139 HydrophobicContact CD2-CD1 3.68Å; L134-I139 HydrophobicContact CD2-CG1 3.73Å; L134-I139 PolarHBondContact O-N 3.21Å; L134-K140 PolarHBondContact O-N 2.79Å
135	E	97.4	Very high	96.8	Very high	119 Å²	119	71.8 Å²	71.8	56%	0.556	38%	0.384	S	S	*	.	H	α-helix	trans	-68.3	-48.2	176.3	-169.7	137.5	179.4	0	0	111.7	A131 N132 F133 M137 G138 K140	A131-E135 WeakPolarHBondContact O-CB 3.45Å; A131-E135 PolarHBondContact O-N 2.92Å; A131-E135 VanDerWaalsContact O-N 3.08Å; N132-E135 PolarHBondContact O-N 3.04Å; F133-E135 VanDerWaalsContact C-N 3.26Å; F133-E135 PolarHBondContact O-N 3.47Å; E135-M137 VanDerWaalsContact C-N 3.27Å; E135-M137 PolarHBondContact O-N 3.09Å; E135-G138 PolarHBondContact O-N 3.38Å; E135-K140 IonicContact OE2-NZ 2.87Å; E135-K140 PolarHBondContact OE2-NZ 2.81Å
136	K	96.8	Very high	96.9	Very high	106 Å²	106	73.6 Å²	73.6	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-59.3	-37.9	175.9	-72.9	176.2	-174.8	161.2	0	112.9	N132 F133 G138	N132-K136 WeakPolarHBondContact O-CG 3.49Å; N132-K136 PolarHBondContact O-N 2.8Å; N132-K136 VanDerWaalsContact O-N 3.08Å; N132-K136 WeakPolarHBondContact OD1-CE 3.33Å; N132-K136 PolarHBondContact OD1-NZ 3.03Å; F133-K136 PolarHBondContact O-N 3.38Å; K136-G138 VanDerWaalsContact C-N 3.28Å
137	M	96.6	Very high	97	Very high	75 Å²	75	75 Å²	75	37%	0.369	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.2	179	-66.5	-60.4	92.7	0	0	113.3	E104 F133 E135 I139	E104-M137 HydrophobicContact CB-SD 4.36Å; F133-M137 HydrophobicContact CD1-CG 4.25Å; F133-M137 HydrophobicContact CD2-CG 4.43Å; F133-M137 HydrophobicContact CE1-CG 3.88Å; F133-M137 HydrophobicContact CE2-CG 4.08Å; F133-M137 HydrophobicContact CZ-CG 3.8Å; F133-M137 HydrophobicContact CZ-SD 4.45Å; F133-M137 WeakPolarHBondContact O-CB 3.42Å; F133-M137 WeakPolarHBondContact O-CG 3.26Å; F133-M137 PolarHBondContact O-N 3.43Å; E135-M137 VanDerWaalsContact C-N 3.27Å; E135-M137 PolarHBondContact O-N 3.09Å; M137-I139 VanDerWaalsContact C-N 3.26Å; M137-I139 HydrophobicContact CB-CD1 3.91Å; M137-I139 HydrophobicContact CB-CG1 3.77Å; M137-I139 PolarHBondContact O-N 2.92Å
138	G	96.9	Very high	97	Very high	68 Å²	68	76.2 Å²	76.2	70%	0.701	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	26.6	-179.3	0	0	0	0	0	113.7	L134 E135 K136	L134-G138 PolarHBondContact O-N 3.48Å; L134-G138 VanDerWaalsContact O-N 3.16Å; E135-G138 PolarHBondContact O-N 3.38Å; K136-G138 VanDerWaalsContact C-N 3.28Å
139	I	96.4	Very high	96.8	Very high	11 Å²	11	74.4 Å²	74.4	6%	0.056	40%	0.401	C	S	.	.			trans	-117.7	13	-173.7	60.4	175	0	0	0	113.7	L77 L90 L134 M137 N141 K142 L144	L77-I139 HydrophobicContact CD2-CD1 4.26Å; L90-I139 HydrophobicContact CD1-CD1 4.17Å; L90-I139 HydrophobicContact CD2-CD1 4.2Å; L134-I139 HydrophobicContact CB-CG1 4.32Å; L134-I139 HydrophobicContact CD2-CD1 3.68Å; L134-I139 HydrophobicContact CD2-CG1 3.73Å; L134-I139 PolarHBondContact O-N 3.21Å; M137-I139 VanDerWaalsContact C-N 3.26Å; M137-I139 HydrophobicContact CB-CD1 3.91Å; M137-I139 HydrophobicContact CB-CG1 3.77Å; M137-I139 PolarHBondContact O-N 2.92Å; I139-N141 PolarHBondContact O-N 3.13Å; I139-K142 HydrophobicContact CB-CB 4.36Å; I139-K142 HydrophobicContact CB-CD 4.05Å; I139-K142 HydrophobicContact CB-CG 4.28Å; I139-K142 HydrophobicContact CG2-CD 3.82Å; I139-K142 HydrophobicContact CG2-CG 4.48Å; I139-K142 WeakPolarHBondContact O-CB 3.38Å; I139-K142 PolarHBondContact O-N 3.03Å; I139-L144 HydrophobicContact CD1-CD1 4.08Å
140	K	94.1	Very high	96.5	Very high	124 Å²	124	75.8 Å²	75.8	54%	0.539	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.1	-179.9	-163.1	172.9	-171	168.3	0	114.3	L134 E135	L134-K140 PolarHBondContact O-N 2.79Å; E135-K140 IonicContact OE2-NZ 2.87Å; E135-K140 PolarHBondContact OE2-NZ 2.81Å
141	N	94.3	Very high	96.2	Very high	164 Å²	164	77.4 Å²	77.4	88%	0.877	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.7	179.5	-61.9	-31.7	0	0	0	113.9	I139	I139-N141 PolarHBondContact O-N 3.13Å
142	K	94.9	Very high	95.8	Very high	105 Å²	105	78.8 Å²	78.8	46%	0.457	42%	0.418	S	S	.	.			trans	-87.5	135.5	175.6	-67.6	-170.9	174.1	-178.1	0	110	E75 I139 L144	E75-K142 IonicContact OE2-NZ 2.98Å; E75-K142 PolarHBondContact OE2-NZ 3.36Å; I139-K142 HydrophobicContact CB-CB 4.36Å; I139-K142 HydrophobicContact CB-CD 4.05Å; I139-K142 HydrophobicContact CB-CG 4.28Å; I139-K142 HydrophobicContact CG2-CD 3.82Å; I139-K142 HydrophobicContact CG2-CG 4.48Å; I139-K142 WeakPolarHBondContact O-CB 3.38Å; I139-K142 PolarHBondContact O-N 3.03Å; K142-L144 HydrophobicContact CB-CD2 4.38Å; K142-L144 HydrophobicContact CB-CG 4.16Å; K142-L144 HydrophobicContact CD-CD2 4.47Å
143	K	95.9	Very high	95.4	Very high	212 Å²	212	77.9 Å²	77.9	92%	0.922	42%	0.416	S	S	*	.			trans	-92.9	102.5	167.4	-67	-174.7	178.9	-176.9	0	108.6
144	L	97.6	Very high	95	Very high	38 Å²	38	78.4 Å²	78.4	20%	0.199	42%	0.42	C	S	.	.			trans	-107.2	143.2	178.4	-61.2	178.9	0	0	0	110	E75 L77 L90 I139 K142	E75-L144 HydrophobicContact CB-CD2 3.97Å; L77-L144 HydrophobicContact CD1-CB 4.04Å; L77-L144 HydrophobicContact CD1-CD1 4.41Å; L77-L144 HydrophobicContact CD2-CD1 4.43Å; L77-L144 HydrophobicContact CG-CB 4.09Å; L77-L144 HydrophobicContact CG-CD1 4.06Å; L90-L144 HydrophobicContact CD1-CD1 3.69Å; I139-L144 HydrophobicContact CD1-CD1 4.08Å; K142-L144 HydrophobicContact CB-CD2 4.38Å; K142-L144 HydrophobicContact CB-CG 4.16Å; K142-L144 HydrophobicContact CD-CD2 4.47Å
145	P	98.1	Very high	94.7	Very high	80 Å²	80	80.7 Å²	80.7	52%	0.519	43%	0.432	S	S	.	.			trans	-61.7	143.3	168.1	-12.5	26.3	0	0	0	109.8	F76 L77	F76-P145 HydrophobicContact CD1-CB 3.98Å; F76-P145 HydrophobicContact CD1-CG 4.03Å; F76-P145 HydrophobicContact CE1-CB 4.43Å; F76-P145 HydrophobicContact CE1-CG 4.18Å; L77-P145 PolarHBondContact N-O 3.32Å
146	L	98.1	Very high	94.5	Very high	78 Å²	78	77 Å²	77	41%	0.408	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.4	-177.7	-176.7	149.9	0	0	0	109.6	L77 L79 L130 F148	L77-L146 HydrophobicContact CB-CB 4.19Å; L77-L146 HydrophobicContact CB-CD1 4.17Å; L77-L146 HydrophobicContact CB-CG 4.12Å; L77-L146 HydrophobicContact CD1-CD1 4.48Å; L77-L146 CarbonylContact O-C 3.55Å; L77-L146 WeakPolarHBondContact O-CA 3.38Å; L79-L146 HydrophobicContact CD1-CD1 4.12Å; L79-L146 HydrophobicContact CD1-CD2 3.99Å; L79-L146 HydrophobicContact CD2-CD1 4.48Å; L79-L146 HydrophobicContact CG-CD1 4.07Å; L79-L146 HydrophobicContact CG-CD2 4.06Å; L79-L146 HydrophobicContact CG-CG 4.3Å; L130-L146 HydrophobicContact CD2-CD1 3.9Å; L146-F148 HydrophobicContact CD2-CB 4.24Å
147	G	97.6	Very high	94.4	Very high	39 Å²	39	75.7 Å²	75.7	40%	0.402	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	145.4	165.1	0	0	0	0	0	110.5	L77 A78 L79	L77-G147 PolarHBondContact O-N 3.12Å; A78-G147 CarbonylContact C-O 3.48Å; A78-G147 VanDerWaalsContact CA-O 3.3Å; A78-G147 WeakPolarHBondContact CA-O 3.41Å; L79-G147 PolarHBondContact N-O 2.89Å
148	F	96.4	Very high	94.4	Very high	78 Å²	78	76.3 Å²	76.3	34%	0.342	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	104.6	176.1	-162.9	167.4	0	0	0	109.8	L79 L81 F123 I126 L146 F150	L79-F148 HydrophobicContact CB-CD2 3.54Å; L79-F148 HydrophobicContact CB-CE2 3.8Å; L79-F148 HydrophobicContact CB-CG 4Å; L79-F148 HydrophobicContact CB-CZ 4.47Å; L79-F148 HydrophobicContact CD1-CD1 4.1Å; L79-F148 HydrophobicContact CD1-CD2 4.4Å; L79-F148 HydrophobicContact CD1-CE1 4.12Å; L79-F148 HydrophobicContact CD1-CE2 4.44Å; L79-F148 HydrophobicContact CD1-CG 4.24Å; L79-F148 HydrophobicContact CD1-CZ 4.31Å; L81-F148 HydrophobicContact CB-CE2 3.72Å; L81-F148 HydrophobicContact CB-CZ 4.29Å; L81-F148 HydrophobicContact CD2-CE2 4.35Å; L81-F148 HydrophobicContact CD2-CZ 4.1Å; F123-F148 HydrophobicContact CE1-CE1 4.02Å; F123-F148 HydrophobicContact CE1-CZ 4.48Å; I126-F148 HydrophobicContact CD1-CZ 4.28Å; L146-F148 HydrophobicContact CD2-CB 4.24Å; F148-F150 HydrophobicContact CD2-CB 4.33Å; F148-F150 HydrophobicContact CE2-CB 4.43Å; F148-F150 HydrophobicContact CE2-CD2 4.06Å; F148-F150 AromaticContact CZ-CD2 3.98Å; F148-F150 HydrophobicContact CZ-CD2 3.98Å; F148-F150 PolarHBondContact O-N 3.47Å
149	T	95.2	Very high	94.3	Very high	77 Å²	77	78.6 Å²	78.6	47%	0.472	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	109	166	-56.7	0	0	0	0	108.5	L79 L81	L79-T149 PolarHBondContact O-N 3.32Å; L81-T149 PolarHBondContact N-O 2.93Å
150	F	91.4	Very high	94.2	Very high	39 Å²	39	84 Å²	84	17%	0.171	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	99.9	-179.4	-169.9	-96.2	0	0	0	108.6	L81 F148 F152 F165	L81-F150 HydrophobicContact CB-CD2 4.5Å; L81-F150 HydrophobicContact CD2-CD2 3.91Å; L81-F150 HydrophobicContact CD2-CE2 3.7Å; F148-F150 HydrophobicContact CD2-CB 4.33Å; F148-F150 HydrophobicContact CE2-CB 4.43Å; F148-F150 HydrophobicContact CE2-CD2 4.06Å; F148-F150 AromaticContact CZ-CD2 3.98Å; F148-F150 HydrophobicContact CZ-CD2 3.98Å; F148-F150 PolarHBondContact O-N 3.47Å; F150-F152 HydrophobicContact CD1-CB 3.86Å; F150-F152 AromaticContact CD1-CD2 3.65Å; F150-F152 HydrophobicContact CD1-CD2 3.65Å; F150-F152 HydrophobicContact CD1-CG 4.21Å; F150-F152 HydrophobicContact CD2-CD2 4.26Å; F150-F152 HydrophobicContact CE1-CB 3.54Å; F150-F152 AromaticContact CE1-CD2 3.29Å; F150-F152 HydrophobicContact CE1-CD2 3.29Å; F150-F152 HydrophobicContact CE1-CE2 4.25Å; F150-F152 AromaticContact CE1-CG 3.71Å; F150-F152 HydrophobicContact CE1-CG 3.71Å; F150-F152 AromaticContact CE2-CD2 3.98Å; F150-F152 HydrophobicContact CE2-CD2 3.98Å; F150-F152 HydrophobicContact CE2-CE2 4.22Å; F150-F152 HydrophobicContact CG-CD2 4.12Å; F150-F152 HydrophobicContact CZ-CB 4.45Å; F150-F152 AromaticContact CZ-CD2 3.47Å; F150-F152 HydrophobicContact CZ-CD2 3.47Å; F150-F152 VanDerWaalsContact CZ-CD2 3.47Å; F150-F152 AromaticContact CZ-CE2 3.99Å; F150-F152 HydrophobicContact CZ-CE2 3.99Å; F150-F152 HydrophobicContact CZ-CG 4.18Å; F150-F152 PolarHBondContact O-N 3.02Å; F150-F165 HydrophobicContact CD1-CD1 4.24Å; F150-F165 AromaticContact CD1-CE1 3.87Å; F150-F165 HydrophobicContact CD1-CE1 3.87Å; F150-F165 AromaticContact CE1-CD1 3.34Å; F150-F165 HydrophobicContact CE1-CD1 3.34Å; F150-F165 AromaticContact CE1-CE1 3.24Å; F150-F165 HydrophobicContact CE1-CE1 3.24Å; F150-F165 HydrophobicContact CE1-CZ 4.44Å; F150-F165 HydrophobicContact CE2-CE1 4.41Å; F150-F165 AromaticContact CZ-CD1 3.79Å; F150-F165 HydrophobicContact CZ-CD1 3.79Å; F150-F165 AromaticContact CZ-CE1 3.57Å; F150-F165 HydrophobicContact CZ-CE1 3.57Å; F150-F165 HydrophobicContact CZ-CZ 4.46Å
151	S	90.4	Very high	94.1	Very high	67 Å²	67	81.6 Å²	81.6	47%	0.469	43%	0.431	S	S	.	.			trans	-82.4	51.5	-166.6	-51.3	0	0	0	0	113.2	L81	L81-S151 PolarHBondContact O-N 3.17Å; L81-S151 PolarHBondContact O-OG 2.99Å
152	F	89.3	Confident	93.7	Very high	72 Å²	72	76.8 Å²	76.8	32%	0.316	41%	0.408	S	S	.	.	S	Bend	trans	-131.2	154.2	176.4	-61.9	-88.8	0	0	0	109.6	F150 C154	F150-F152 HydrophobicContact CD1-CB 3.86Å; F150-F152 AromaticContact CD1-CD2 3.65Å; F150-F152 HydrophobicContact CD1-CD2 3.65Å; F150-F152 HydrophobicContact CD1-CG 4.21Å; F150-F152 HydrophobicContact CD2-CD2 4.26Å; F150-F152 HydrophobicContact CE1-CB 3.54Å; F150-F152 AromaticContact CE1-CD2 3.29Å; F150-F152 HydrophobicContact CE1-CD2 3.29Å; F150-F152 HydrophobicContact CE1-CE2 4.25Å; F150-F152 AromaticContact CE1-CG 3.71Å; F150-F152 HydrophobicContact CE1-CG 3.71Å; F150-F152 AromaticContact CE2-CD2 3.98Å; F150-F152 HydrophobicContact CE2-CD2 3.98Å; F150-F152 HydrophobicContact CE2-CE2 4.22Å; F150-F152 HydrophobicContact CG-CD2 4.12Å; F150-F152 HydrophobicContact CZ-CB 4.45Å; F150-F152 AromaticContact CZ-CD2 3.47Å; F150-F152 HydrophobicContact CZ-CD2 3.47Å; F150-F152 VanDerWaalsContact CZ-CD2 3.47Å; F150-F152 AromaticContact CZ-CE2 3.99Å; F150-F152 HydrophobicContact CZ-CE2 3.99Å; F150-F152 HydrophobicContact CZ-CG 4.18Å; F150-F152 PolarHBondContact O-N 3.02Å; F152-C154 PolarHBondContact O-N 3.33Å; F152-C154 PolarHBondContact O-SG 3.14Å; F152-C154 VanDerWaalsContact O-SG 3.32Å
153	P	90	Very high	93.2	Very high	50 Å²	50	74.1 Å²	74.1	33%	0.325	40%	0.402	S	S	.	.			trans	-63.4	122.2	174.7	25.4	-32.6	0	0	0	110.7	L60 A166	L60-P153 HydrophobicContact CD1-CB 4.14Å; P153-A166 HydrophobicContact CG-CB 4.03Å; P153-A166 WeakPolarHBondContact CG-O 3.41Å
154	C	90.4	Very high	91.7	Very high	14 Å²	14	69.9 Å²	69.9	10%	0.095	39%	0.39	C	S	.	.			trans	-127.6	133.3	-174	-73.3	0	0	0	0	111.2	L60 F152 Q156 V162	L60-C154 WeakPolarHBondContact CD1-O 3.3Å; F152-C154 PolarHBondContact O-N 3.33Å; F152-C154 PolarHBondContact O-SG 3.14Å; F152-C154 VanDerWaalsContact O-SG 3.32Å; C154-Q156 HydrophobicContact CB-CG 4.41Å; C154-V162 HydrophobicContact CB-CG1 3.67Å; C154-V162 HydrophobicContact CB-CG2 4.41Å; C154-V162 WeakPolarHBondContact SG-CG1 3.29Å
155	L	91.7	Very high	90.2	Very high	78 Å²	78	72.3 Å²	72.3	41%	0.408	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-83.1	122	166.9	-66.6	-178.7	0	0	0	109	L60 S163 N164	L60-L155 HydrophobicContact CD2-CD2 3.74Å; L155-S163 PolarHBondContact N-O 3.34Å; L155-S163 VanDerWaalsContact N-O 3.1Å; L155-S163 PolarHBondContact O-N 3.13Å; L155-S163 PolarHBondContact O-OG 3.4Å; L155-N164 HydrophobicContact CB-CB 4.48Å; L155-N164 HydrophobicContact CD1-CB 3.83Å; L155-N164 HydrophobicContact CG-CB 4.31Å
156	Q	93.6	Very high	88.1	Confident	43 Å²	43	71 Å²	71	20%	0.201	40%	0.395	C	S	.	.			trans	-118.5	144.1	179.3	-57.9	-169.7	-99	0	0	110.2	Y63 C154 E161 V162	Y63-Q156 HydrophobicContact CD2-CB 3.81Å; Y63-Q156 VanDerWaalsContact CE2-C 3.49Å; Y63-Q156 HydrophobicContact CE2-CB 3.79Å; Y63-Q156 VanDerWaalsContact CE2-O 3.22Å; Y63-Q156 WeakPolarHBondContact CE2-O 3.24Å; Y63-Q156 PolarHBondContact OH-O 2.65Å; C154-Q156 HydrophobicContact CB-CG 4.41Å; Q156-E161 WeakPolarHBondContact CG-O 3.42Å; Q156-E161 PolarHBondContact NE2-O 3.08Å; Q156-V162 HydrophobicContact CG-CG2 4.24Å
157	T	94.3	Very high	85.7	Confident	77 Å²	77	73 Å²	73	47%	0.472	41%	0.405	S	S	.	.	S	Bend	trans	-113.8	-16.1	171.5	59.7	0	0	0	0	111.9	Y63 E161	Y63-T157 VanDerWaalsContact CE1-C 3.45Å; Y63-T157 WeakPolarHBondContact CE1-O 3.37Å; Y63-T157 VanDerWaalsContact OH-C 3.23Å; Y63-T157 VanDerWaalsContact OH-CA 3.22Å; Y63-T157 WeakPolarHBondContact OH-CA 3.42Å; Y63-T157 PolarHBondContact OH-O 3.47Å; T157-E161 PolarHBondContact OG1-OE1 2.94Å; T157-E161 PolarHBondContact OG1-OE2 3.07Å
158	K	95.4	Very high	83.1	Confident	88 Å²	88	77.4 Å²	77.4	38%	0.383	42%	0.419	S	S	.	.	S	Bend	trans	-160.3	169.4	176.1	55.4	179.3	-170.1	137.2	0	109.5	D160 E161	K158-D160 VanDerWaalsContact C-N 3.31Å; K158-D160 WeakPolarHBondContact CD-OD1 3.29Å; K158-D160 WeakPolarHBondContact CE-OD1 3.48Å; K158-D160 VanDerWaalsContact CG-OD1 3.23Å; K158-D160 WeakPolarHBondContact CG-OD1 3.32Å; K158-D160 VanDerWaalsContact NZ-CG 3.27Å; K158-D160 IonicContact NZ-OD1 2.77Å; K158-D160 PolarHBondContact NZ-OD1 3.03Å; K158-D160 IonicContact NZ-OD2 3.7Å; K158-D160 PolarHBondContact NZ-OD2 3.34Å; K158-D160 PolarHBondContact O-N 3.08Å; K158-E161 HydrophobicContact CD-CB 4.28Å; K158-E161 WeakPolarHBondContact CE-OE2 3.34Å; K158-E161 HydrophobicContact CG-CB 3.51Å; K158-E161 PolarHBondContact O-N 3.45Å
159	L	95.2	Very high	80.1	Confident	117 Å²	117	80.8 Å²	80.8	61%	0.613	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.5	-172.8	-174.4	65.1	0	0	0	113.5	V64	V64-L159 HydrophobicContact CG2-CD1 4.25Å
160	D	94.8	Very high	77.2	Confident	125 Å²	125	82.4 Å²	82.4	67%	0.668	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	16.1	-177.1	67.3	-36.3	0	0	0	113.3	K158	K158-D160 VanDerWaalsContact C-N 3.31Å; K158-D160 WeakPolarHBondContact CD-OD1 3.29Å; K158-D160 WeakPolarHBondContact CE-OD1 3.48Å; K158-D160 VanDerWaalsContact CG-OD1 3.23Å; K158-D160 WeakPolarHBondContact CG-OD1 3.32Å; K158-D160 VanDerWaalsContact NZ-CG 3.27Å; K158-D160 IonicContact NZ-OD1 2.77Å; K158-D160 PolarHBondContact NZ-OD1 3.03Å; K158-D160 IonicContact NZ-OD2 3.7Å; K158-D160 PolarHBondContact NZ-OD2 3.34Å; K158-D160 PolarHBondContact O-N 3.08Å
161	E	92.2	Very high	74.5	Confident	73 Å²	73	91.9 Å²	91.9	34%	0.341	50%	0.503	S	S	.	.			trans	-129.8	132.6	178.7	-173.3	176.6	135.5	0	0	111.4	Q156 T157 K158	Q156-E161 WeakPolarHBondContact CG-O 3.42Å; Q156-E161 PolarHBondContact NE2-O 3.08Å; T157-E161 PolarHBondContact OG1-OE1 2.94Å; T157-E161 PolarHBondContact OG1-OE2 3.07Å; K158-E161 HydrophobicContact CD-CB 4.28Å; K158-E161 WeakPolarHBondContact CE-OE2 3.34Å; K158-E161 HydrophobicContact CG-CB 3.51Å; K158-E161 PolarHBondContact O-N 3.45Å
162	V	85.7	Confident	73.7	Confident	63 Å²	63	93.2 Å²	93.2	38%	0.382	51%	0.505	S	S	.	.			trans	-130.1	132.5	172.2	171.6	0	0	0	0	107.7	C154 Q156 F165	C154-V162 HydrophobicContact CB-CG1 3.67Å; C154-V162 HydrophobicContact CB-CG2 4.41Å; C154-V162 WeakPolarHBondContact SG-CG1 3.29Å; Q156-V162 HydrophobicContact CG-CG2 4.24Å; V162-F165 HydrophobicContact CG1-CD1 4.2Å; V162-F165 HydrophobicContact CG1-CE1 3.57Å; V162-F165 HydrophobicContact CG1-CZ 3.89Å
163	S	83.2	Confident	72.9	Confident	48 Å²	48	94.3 Å²	94.3	34%	0.336	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-133.3	160.8	176.5	65.8	0	0	0	0	110.5	L155	L155-S163 PolarHBondContact N-O 3.34Å; L155-S163 VanDerWaalsContact N-O 3.1Å; L155-S163 PolarHBondContact O-N 3.13Å; L155-S163 PolarHBondContact O-OG 3.4Å
164	N	65.5	Low	71.9	Confident	124 Å²	124	96.7 Å²	96.7	66%	0.663	53%	0.525	S	S	*	.			trans	50.1	68.8	173.6	-153.8	25.9	0	0	0	112.5	L155 A166	L155-N164 HydrophobicContact CB-CB 4.48Å; L155-N164 HydrophobicContact CD1-CB 3.83Å; L155-N164 HydrophobicContact CG-CB 4.31Å; N164-A166 PolarHBondContact O-N 3.43Å
165	F	65.5	Low	70.9	Confident	89 Å²	89	101.6 Å²	101.6	39%	0.39	55%	0.55	S	S	.	*			trans	-58	103.7	168.6	-61.7	-72	0	0	0	107.9	F150 V162 L167	F150-F165 HydrophobicContact CD1-CD1 4.24Å; F150-F165 AromaticContact CD1-CE1 3.87Å; F150-F165 HydrophobicContact CD1-CE1 3.87Å; F150-F165 AromaticContact CE1-CD1 3.34Å; F150-F165 HydrophobicContact CE1-CD1 3.34Å; F150-F165 AromaticContact CE1-CE1 3.24Å; F150-F165 HydrophobicContact CE1-CE1 3.24Å; F150-F165 HydrophobicContact CE1-CZ 4.44Å; F150-F165 HydrophobicContact CE2-CE1 4.41Å; F150-F165 AromaticContact CZ-CD1 3.79Å; F150-F165 HydrophobicContact CZ-CD1 3.79Å; F150-F165 AromaticContact CZ-CE1 3.57Å; F150-F165 HydrophobicContact CZ-CE1 3.57Å; F150-F165 HydrophobicContact CZ-CZ 4.46Å; V162-F165 HydrophobicContact CG1-CD1 4.2Å; V162-F165 HydrophobicContact CG1-CE1 3.57Å; V162-F165 HydrophobicContact CG1-CZ 3.89Å; F165-L167 HydrophobicContact CB-CG 4.41Å; F165-L167 PolarHBondContact O-N 3.48Å
166	A	53.4	Low	69.6	Low	53 Å²	53	103.1 Å²	103.1	44%	0.438	56%	0.559	S	S	.	*			trans	-71.9	79.5	153.5	0	0	0	0	0	105	P153 N164 L168	P153-A166 HydrophobicContact CG-CB 4.03Å; P153-A166 WeakPolarHBondContact CG-O 3.41Å; N164-A166 PolarHBondContact O-N 3.43Å; A166-L168 VanDerWaalsContact C-N 3.25Å; A166-L168 PolarHBondContact O-N 3.48Å
167	L	49.1	Very low	68	Low	119 Å²	119	107.1 Å²	107.1	62%	0.623	58%	0.583	S	S	*	*			trans	-51.5	109.9	153.3	-74.3	170	0	0	0	102.9	F165 L169	F165-L167 HydrophobicContact CB-CG 4.41Å; F165-L167 PolarHBondContact O-N 3.48Å; L167-L169 PolarHBondContact O-N 3.47Å
168	L	41.8	Very low	66.1	Low	132 Å²	132	109.2 Å²	109.2	69%	0.691	59%	0.591	S	S	*	*			trans	-56.3	96.1	166	-78.8	158.2	0	0	0	103.9	A166	A166-L168 VanDerWaalsContact C-N 3.25Å; A166-L168 PolarHBondContact O-N 3.48Å
169	L	34.3	Very low	63.8	Low	149 Å²	149	110.8 Å²	110.8	78%	0.78	61%	0.607	S	S	*	*			trans	-46.6	133.4	157.9	-76.7	167.2	0	0	0	104.7	L167 L171	L167-L169 PolarHBondContact O-N 3.47Å; L169-L171 PolarHBondContact O-N 3.27Å
170	P	35.2	Very low	61.2	Low	111 Å²	111	110.3 Å²	110.3	72%	0.721	61%	0.607	S	S	*	*			trans	-52.4	124.7	177.6	22.6	-30.2	0	0	0	107.1
171	L	33.9	Very low	58.2	Low	238 Å²	238	109 Å²	109	100%	1.246	60%	0.601	S	S	*	*			trans	-53.2	0	162.9	-76.6	167.4	0	0	0	109.3	L169	L169-L171 PolarHBondContact O-N 3.27Å

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