TRAE1_ECOLI Loading...

Protein TraE

Involved in F pilus assembly.

AlphaFold DB , UniProt , Accession P08322, Species ECOLI (Escherichia coli (strain K12)), Gene traE, Length 188 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	60.8	Low	74.4	Confident	233 Å²	233	118.4 Å²	118.4	100%	1.148	62%	0.617	S	S	*	*				0	-35.2	0	-72	176.5	162.9	0	0	113	H3 G4	M1-H3 PolarHBondContact O-N 3.26Å; M1-G4 PolarHBondContact O-N 2.94Å
2	E	67.2	Low	75.6	Confident	144 Å²	144	116.1 Å²	116.1	67%	0.673	61%	0.611	S	S	*	*	H	α-helix	trans	-60.2	-36.2	-179.5	-72	-168.3	113.7	0	0	115.9	G4 A5 R6	E2-G4 PolarHBondContact O-N 3.4Å; E2-A5 PolarHBondContact O-N 3.22Å; E2-R6 PolarHBondContact O-N 3.09Å; E2-R6 VanDerWaalsContact O-N 3.12Å
3	H	65.4	Low	76.5	Confident	155 Å²	155	115.2 Å²	115.2	72%	0.718	60%	0.604	S	S	*	*	H	α-helix	trans	-64	-38.5	-177.5	-114.7	56.1	0	0	0	113	M1 L7	M1-H3 PolarHBondContact O-N 3.26Å; H3-L7 PolarHBondContact O-N 3.48Å
4	G	69.5	Low	77.5	Confident	49 Å²	49	110.5 Å²	110.5	51%	0.505	59%	0.59	S	S	.	*	H	α-helix	trans	-68.4	-36.3	176.1	0	0	0	0	0	112.7	M1 E2 L7 S8	M1-G4 PolarHBondContact O-N 2.94Å; E2-G4 PolarHBondContact O-N 3.4Å; G4-L7 PolarHBondContact O-N 3.06Å; G4-S8 PolarHBondContact O-N 3.39Å; G4-S8 VanDerWaalsContact O-N 3.11Å
5	A	71.8	Confident	78.4	Confident	57 Å²	57	111 Å²	111	47%	0.471	59%	0.591	S	S	.	*	H	α-helix	trans	-64.1	-45.6	176.3	0	0	0	0	0	111.7	E2 L7 S8 T9	E2-A5 PolarHBondContact O-N 3.22Å; A5-L7 PolarHBondContact O-N 3.48Å; A5-S8 WeakPolarHBondContact O-CB 3.33Å; A5-S8 PolarHBondContact O-N 3.48Å; A5-T9 PolarHBondContact O-N 3.4Å; A5-T9 PolarHBondContact O-OG1 3.17Å
6	R	74.8	Confident	79.2	Confident	168 Å²	168	107.2 Å²	107.2	63%	0.634	58%	0.58	S	S	*	*	H	α-helix	trans	-62	-38.5	178.1	-68.9	-174.9	-179	-171.2	2	113.3	E2 S10	E2-R6 PolarHBondContact O-N 3.09Å; E2-R6 VanDerWaalsContact O-N 3.12Å; R6-S10 WeakPolarHBondContact O-CB 3.43Å; R6-S10 PolarHBondContact O-N 2.93Å; R6-S10 PolarHBondContact O-OG 3.34Å
7	L	74.1	Confident	79.9	Confident	101 Å²	101	108.8 Å²	108.8	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-67.7	-37.9	175.9	-75.1	165.1	0	0	0	112.2	H3 G4 A5 S10 R11	H3-L7 PolarHBondContact O-N 3.48Å; G4-L7 PolarHBondContact O-N 3.06Å; A5-L7 PolarHBondContact O-N 3.48Å; L7-S10 WeakPolarHBondContact CA-OG 3.32Å; L7-S10 PolarHBondContact O-OG 3.42Å; L7-R11 WeakPolarHBondContact O-CG 3.37Å; L7-R11 PolarHBondContact O-N 3.46Å
8	S	78.9	Confident	80.7	Confident	71 Å²	71	108.9 Å²	108.9	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-64.9	-49.6	173.9	-176.7	0	0	0	0	111.3	G4 A5 S10 R11 V12	G4-S8 PolarHBondContact O-N 3.39Å; G4-S8 VanDerWaalsContact O-N 3.11Å; A5-S8 WeakPolarHBondContact O-CB 3.33Å; A5-S8 PolarHBondContact O-N 3.48Å; S8-S10 PolarHBondContact O-N 3.28Å; S8-R11 PolarHBondContact O-N 2.86Å; S8-V12 WeakPolarHBondContact O-CG2 3.28Å; S8-V12 PolarHBondContact O-N 3.37Å
9	T	83.8	Confident	81.3	Confident	79 Å²	79	110.3 Å²	110.3	49%	0.485	58%	0.581	S	S	.	*	H	α-helix	trans	-59.2	-44.4	179.4	-52.4	0	0	0	0	112	A5 V12 M13	A5-T9 PolarHBondContact O-N 3.4Å; A5-T9 PolarHBondContact O-OG1 3.17Å; T9-V12 PolarHBondContact O-N 3Å; T9-M13 HydrophobicContact CG2-CG 4.39Å; T9-M13 WeakPolarHBondContact O-CB 3.46Å; T9-M13 VanDerWaalsContact O-CG 3.22Å; T9-M13 WeakPolarHBondContact O-CG 3.23Å; T9-M13 PolarHBondContact O-N 3.4Å
10	S	85	Confident	81.9	Confident	63 Å²	63	110.2 Å²	110.2	44%	0.441	58%	0.578	S	S	.	*	H	α-helix	trans	-64.9	-39.9	179.4	51.2	0	0	0	0	113.4	R6 L7 S8 M13 A14	R6-S10 WeakPolarHBondContact O-CB 3.43Å; R6-S10 PolarHBondContact O-N 2.93Å; R6-S10 PolarHBondContact O-OG 3.34Å; L7-S10 WeakPolarHBondContact CA-OG 3.32Å; L7-S10 PolarHBondContact O-OG 3.42Å; S8-S10 PolarHBondContact O-N 3.28Å; S10-M13 PolarHBondContact O-N 2.81Å; S10-A14 WeakPolarHBondContact O-CB 3.48Å; S10-A14 PolarHBondContact O-N 3.34Å
11	R	86.6	Confident	82.5	Confident	182 Å²	182	107.8 Å²	107.8	69%	0.687	57%	0.571	S	S	*	*	H	α-helix	trans	-64	-44.1	174.5	-73.7	179.1	-179.4	-175	0.6	112.1	L7 S8 M13 A14 I15	L7-R11 WeakPolarHBondContact O-CG 3.37Å; L7-R11 PolarHBondContact O-N 3.46Å; S8-R11 PolarHBondContact O-N 2.86Å; R11-M13 VanDerWaalsContact C-N 3.35Å; R11-A14 PolarHBondContact O-N 2.89Å; R11-I15 WeakPolarHBondContact O-CG1 3.31Å; R11-I15 PolarHBondContact O-N 2.89Å
12	V	89	Confident	84.1	Confident	91 Å²	91	100.8 Å²	100.8	55%	0.552	54%	0.541	S	S	*	.	H	α-helix	trans	-62	-44.3	176.5	173.2	0	0	0	0	110.7	S8 T9 A14 I15 A16	S8-V12 WeakPolarHBondContact O-CG2 3.28Å; S8-V12 PolarHBondContact O-N 3.37Å; T9-V12 PolarHBondContact O-N 3Å; V12-A14 PolarHBondContact O-N 3.1Å; V12-I15 PolarHBondContact O-N 3.4Å; V12-A16 WeakPolarHBondContact O-CB 3.46Å; V12-A16 PolarHBondContact O-N 2.98Å
13	M	87.9	Confident	85.4	Confident	104 Å²	104	98 Å²	98	51%	0.512	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-43.9	175	-71.3	-64.2	-164.2	0	0	111.8	T9 S10 R11 I15 A16 F17	T9-M13 HydrophobicContact CG2-CG 4.39Å; T9-M13 WeakPolarHBondContact O-CB 3.46Å; T9-M13 VanDerWaalsContact O-CG 3.22Å; T9-M13 WeakPolarHBondContact O-CG 3.23Å; T9-M13 PolarHBondContact O-N 3.4Å; S10-M13 PolarHBondContact O-N 2.81Å; R11-M13 VanDerWaalsContact C-N 3.35Å; M13-I15 PolarHBondContact O-N 2.88Å; M13-A16 WeakPolarHBondContact O-CB 3.4Å; M13-A16 PolarHBondContact O-N 3.48Å; M13-F17 WeakPolarHBondContact O-CD2 3.2Å; M13-F17 PolarHBondContact O-N 3.35Å
14	A	89.7	Confident	86.8	Confident	50 Å²	50	95.5 Å²	95.5	41%	0.413	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-44.6	178.6	0	0	0	0	0	112.6	S10 R11 V12 A16 F17 I18	S10-A14 WeakPolarHBondContact O-CB 3.48Å; S10-A14 PolarHBondContact O-N 3.34Å; R11-A14 PolarHBondContact O-N 2.89Å; V12-A14 PolarHBondContact O-N 3.1Å; A14-A16 VanDerWaalsContact C-N 3.33Å; A14-A16 PolarHBondContact O-N 3.32Å; A14-F17 PolarHBondContact O-N 3.46Å; A14-I18 WeakPolarHBondContact O-CG1 3.26Å; A14-I18 PolarHBondContact O-N 2.93Å
15	I	91.1	Very high	88.1	Confident	118 Å²	118	98 Å²	98	61%	0.605	53%	0.527	S	S	*	.	H	α-helix	trans	-62.3	-42.9	174.9	-66	168.2	0	0	0	110.3	R11 V12 M13 F17 I18 F19	R11-I15 WeakPolarHBondContact O-CG1 3.31Å; R11-I15 PolarHBondContact O-N 2.89Å; V12-I15 PolarHBondContact O-N 3.4Å; M13-I15 PolarHBondContact O-N 2.88Å; I15-F17 PolarHBondContact O-N 3.49Å; I15-I18 PolarHBondContact O-N 3.44Å; I15-F19 WeakPolarHBondContact O-CB 3.3Å; I15-F19 PolarHBondContact O-N 2.84Å
16	A	90.9	Very high	89.2	Confident	50 Å²	50	100.4 Å²	100.4	41%	0.413	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-40.1	176.9	0	0	0	0	0	112.4	V12 M13 A14 F19 M20	V12-A16 WeakPolarHBondContact O-CB 3.46Å; V12-A16 PolarHBondContact O-N 2.98Å; M13-A16 WeakPolarHBondContact O-CB 3.4Å; M13-A16 PolarHBondContact O-N 3.48Å; A14-A16 VanDerWaalsContact C-N 3.33Å; A14-A16 PolarHBondContact O-N 3.32Å; A16-F19 PolarHBondContact O-N 3.07Å; A16-M20 VanDerWaalsContact O-CB 3.25Å; A16-M20 WeakPolarHBondContact O-CB 3.31Å; A16-M20 PolarHBondContact O-N 3.28Å
17	F	92.3	Very high	90.2	Very high	134 Å²	134	95.5 Å²	95.5	59%	0.588	52%	0.522	S	S	*	.	H	α-helix	trans	-66.8	-43.1	175.5	-85.9	-68.6	0	0	0	112.5	M13 A14 I15 F19 M20 S21	M13-F17 WeakPolarHBondContact O-CD2 3.2Å; M13-F17 PolarHBondContact O-N 3.35Å; A14-F17 PolarHBondContact O-N 3.46Å; I15-F17 PolarHBondContact O-N 3.49Å; F17-F19 VanDerWaalsContact C-N 3.35Å; F17-M20 PolarHBondContact O-N 3.01Å; F17-S21 WeakPolarHBondContact O-CB 3.48Å; F17-S21 PolarHBondContact O-N 3.27Å; F17-S21 PolarHBondContact O-OG 2.93Å
18	I	93.1	Very high	91.2	Very high	112 Å²	112	96.4 Å²	96.4	57%	0.574	53%	0.527	S	S	*	.	H	α-helix	trans	-60.9	-48.3	175.1	-67.2	167.3	0	0	0	109.4	A14 I15 M20 S21 V22	A14-I18 WeakPolarHBondContact O-CG1 3.26Å; A14-I18 PolarHBondContact O-N 2.93Å; I15-I18 PolarHBondContact O-N 3.44Å; I18-M20 PolarHBondContact O-N 3.12Å; I18-S21 PolarHBondContact O-N 2.81Å; I18-S21 PolarHBondContact O-OG 2.87Å; I18-V22 WeakPolarHBondContact O-CG2 3.44Å; I18-V22 PolarHBondContact O-N 2.78Å
19	F	93.6	Very high	92	Very high	134 Å²	134	95.4 Å²	95.4	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-60.4	-45.8	177.7	-174.6	-106.4	0	0	0	112.3	I15 A16 F17 S21 V22 L23	I15-F19 WeakPolarHBondContact O-CB 3.3Å; I15-F19 PolarHBondContact O-N 2.84Å; A16-F19 PolarHBondContact O-N 3.07Å; F17-F19 VanDerWaalsContact C-N 3.35Å; F19-S21 VanDerWaalsContact C-N 3.35Å; F19-S21 PolarHBondContact O-N 2.61Å; F19-V22 PolarHBondContact O-N 2.67Å; F19-L23 HydrophobicContact CD1-CD1 3.82Å; F19-L23 HydrophobicContact CD1-CG 4.37Å; F19-L23 HydrophobicContact CE1-CD1 3.42Å; F19-L23 VanDerWaalsContact CE1-CD1 3.42Å; F19-L23 HydrophobicContact CE1-CG 4.09Å; F19-L23 HydrophobicContact CZ-CD1 3.99Å; F19-L23 HydrophobicContact CZ-CD2 4.36Å; F19-L23 HydrophobicContact CZ-CG 4.26Å; F19-L23 WeakPolarHBondContact O-CG 3.46Å; F19-L23 PolarHBondContact O-N 2.86Å
20	M	93.3	Very high	92.5	Very high	108 Å²	108	95.2 Å²	95.2	53%	0.532	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-42.7	175.8	-172.3	-161	-97.5	0	0	111.5	A16 F17 I18 V22 L23 I24	A16-M20 VanDerWaalsContact O-CB 3.25Å; A16-M20 WeakPolarHBondContact O-CB 3.31Å; A16-M20 PolarHBondContact O-N 3.28Å; F17-M20 PolarHBondContact O-N 3.01Å; I18-M20 PolarHBondContact O-N 3.12Å; M20-V22 PolarHBondContact O-N 2.59Å; M20-L23 PolarHBondContact O-N 3.32Å; M20-I24 HydrophobicContact CG-CD1 4.05Å; M20-I24 WeakPolarHBondContact O-CG1 3.33Å; M20-I24 PolarHBondContact O-N 2.86Å; M20-I24 HydrophobicContact SD-CD1 4.34Å
21	S	93.4	Very high	93	Very high	61 Å²	61	97 Å²	97	43%	0.427	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-41.5	178.7	71.4	0	0	0	0	112	F17 I18 F19 I24 V25	F17-S21 WeakPolarHBondContact O-CB 3.48Å; F17-S21 PolarHBondContact O-N 3.27Å; F17-S21 PolarHBondContact O-OG 2.93Å; I18-S21 PolarHBondContact O-N 2.81Å; I18-S21 PolarHBondContact O-OG 2.87Å; F19-S21 VanDerWaalsContact C-N 3.35Å; F19-S21 PolarHBondContact O-N 2.61Å; S21-I24 PolarHBondContact O-N 2.7Å; S21-V25 WeakPolarHBondContact O-CG2 3.24Å; S21-V25 PolarHBondContact O-N 2.96Å
22	V	95.4	Very high	93.4	Very high	85 Å²	85	92.8 Å²	92.8	52%	0.515	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-43.3	174.6	172.8	0	0	0	0	110.9	I18 F19 M20 I24 V25 L26	I18-V22 WeakPolarHBondContact O-CG2 3.44Å; I18-V22 PolarHBondContact O-N 2.78Å; F19-V22 PolarHBondContact O-N 2.67Å; M20-V22 PolarHBondContact O-N 2.59Å; V22-I24 VanDerWaalsContact C-N 3.34Å; V22-I24 PolarHBondContact O-N 2.78Å; V22-V25 PolarHBondContact O-N 2.64Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 PolarHBondContact O-N 3.04Å
23	L	94.1	Very high	93.6	Very high	86 Å²	86	93 Å²	93	45%	0.45	52%	0.515	S	S	.	.	H	α-helix	trans	-61.6	-39.8	175.8	-73.6	179.3	0	0	0	112.6	F19 M20 S27	F19-L23 HydrophobicContact CD1-CD1 3.82Å; F19-L23 HydrophobicContact CD1-CG 4.37Å; F19-L23 HydrophobicContact CE1-CD1 3.42Å; F19-L23 VanDerWaalsContact CE1-CD1 3.42Å; F19-L23 HydrophobicContact CE1-CG 4.09Å; F19-L23 HydrophobicContact CZ-CD1 3.99Å; F19-L23 HydrophobicContact CZ-CD2 4.36Å; F19-L23 HydrophobicContact CZ-CG 4.26Å; F19-L23 WeakPolarHBondContact O-CG 3.46Å; F19-L23 PolarHBondContact O-N 2.86Å; M20-L23 PolarHBondContact O-N 3.32Å; L23-S27 VanDerWaalsContact O-CB 3.24Å; L23-S27 WeakPolarHBondContact O-CB 3.16Å; L23-S27 PolarHBondContact O-N 3.01Å
24	I	95.2	Very high	93.7	Very high	103 Å²	103	93.6 Å²	93.6	53%	0.528	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-45.9	177.6	-69.7	166.2	0	0	0	110.7	M20 S21 V22 L26 S27 L28	M20-I24 HydrophobicContact CG-CD1 4.05Å; M20-I24 WeakPolarHBondContact O-CG1 3.33Å; M20-I24 PolarHBondContact O-N 2.86Å; M20-I24 HydrophobicContact SD-CD1 4.34Å; S21-I24 PolarHBondContact O-N 2.7Å; V22-I24 VanDerWaalsContact C-N 3.34Å; V22-I24 PolarHBondContact O-N 2.78Å; I24-L26 PolarHBondContact O-N 3.48Å; I24-S27 PolarHBondContact O-N 3.47Å; I24-L28 WeakPolarHBondContact O-CB 3.22Å; I24-L28 PolarHBondContact O-N 2.63Å
25	V	95.5	Very high	93.9	Very high	102 Å²	102	93.2 Å²	93.2	62%	0.618	52%	0.517	S	S	*	.	H	α-helix	trans	-62.6	-44.3	178.6	173.1	0	0	0	0	110.9	S21 V22 L28 S29	S21-V25 WeakPolarHBondContact O-CG2 3.24Å; S21-V25 PolarHBondContact O-N 2.96Å; V22-V25 PolarHBondContact O-N 2.64Å; V25-L28 PolarHBondContact O-N 3.07Å; V25-S29 PolarHBondContact O-N 3.45Å
26	L	95.5	Very high	93.9	Very high	107 Å²	107	91.4 Å²	91.4	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-61.5	-46.4	176.2	-169.3	71.2	0	0	0	110.8	V22 I24 L28 S29 V30	V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 PolarHBondContact O-N 3.04Å; I24-L26 PolarHBondContact O-N 3.48Å; L26-L28 PolarHBondContact O-N 3.01Å; L26-S29 PolarHBondContact O-N 3.01Å; L26-S29 PolarHBondContact O-OG 2.89Å; L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 2.86Å
27	S	95.1	Very high	93.8	Very high	65 Å²	65	92.1 Å²	92.1	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-45.1	176.4	-178.1	0	0	0	0	112.3	L23 I24 S29 V30 N31	L23-S27 VanDerWaalsContact O-CB 3.24Å; L23-S27 WeakPolarHBondContact O-CB 3.16Å; L23-S27 PolarHBondContact O-N 3.01Å; I24-S27 PolarHBondContact O-N 3.47Å; S27-S29 PolarHBondContact O-N 3.06Å; S27-V30 PolarHBondContact O-N 3.38Å; S27-N31 PolarHBondContact O-N 2.82Å; S27-N31 PolarHBondContact O-ND2 3.46Å
28	L	95.6	Very high	93.5	Very high	119 Å²	119	89.9 Å²	89.9	62%	0.623	50%	0.502	S	S	*	.	H	α-helix	trans	-63.5	-42.1	178.9	-164.9	72.7	0	0	0	111.4	I24 V25 L26 V30 N31 V32	I24-L28 WeakPolarHBondContact O-CB 3.22Å; I24-L28 PolarHBondContact O-N 2.63Å; V25-L28 PolarHBondContact O-N 3.07Å; L26-L28 PolarHBondContact O-N 3.01Å; L28-V30 PolarHBondContact O-N 3.43Å; L28-N31 PolarHBondContact O-N 2.99Å; L28-V32 WeakPolarHBondContact O-CG2 3.49Å; L28-V32 PolarHBondContact O-N 3.23Å
29	S	95.4	Very high	92.9	Very high	51 Å²	51	92.7 Å²	92.7	36%	0.357	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-42.7	177.4	73.2	0	0	0	0	112.2	V25 L26 S27 V32 I33	V25-S29 PolarHBondContact O-N 3.45Å; L26-S29 PolarHBondContact O-N 3.01Å; L26-S29 PolarHBondContact O-OG 2.89Å; S27-S29 PolarHBondContact O-N 3.06Å; S29-V32 PolarHBondContact O-N 3.3Å; S29-I33 VanDerWaalsContact O-CG1 3.3Å; S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.47Å
30	V	95.5	Very high	92.2	Very high	75 Å²	75	92.6 Å²	92.6	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-42.5	175.5	173.8	0	0	0	0	110.6	L26 S27 L28 V32 I33 Q34	L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 2.86Å; S27-V30 PolarHBondContact O-N 3.38Å; L28-V30 PolarHBondContact O-N 3.43Å; V30-V32 PolarHBondContact O-N 3.49Å; V30-I33 PolarHBondContact O-N 2.88Å; V30-Q34 HydrophobicContact CG1-CG 4.09Å; V30-Q34 VanDerWaalsContact O-CB 3.31Å; V30-Q34 WeakPolarHBondContact O-CB 3.34Å; V30-Q34 WeakPolarHBondContact O-CG 3.27Å; V30-Q34 PolarHBondContact O-N 3.37Å
31	N	94.4	Very high	91.4	Very high	101 Å²	101	92.9 Å²	92.9	54%	0.54	51%	0.506	S	S	.	.	H	α-helix	trans	-62.8	-39.4	177.1	-81.3	-79.8	0	0	0	112.7	S27 L28 Q34 G35	S27-N31 PolarHBondContact O-N 2.82Å; S27-N31 PolarHBondContact O-ND2 3.46Å; L28-N31 PolarHBondContact O-N 2.99Å; N31-Q34 PolarHBondContact O-N 3.38Å; N31-G35 PolarHBondContact O-N 2.9Å
32	V	95.2	Very high	90.4	Very high	92 Å²	92	95.3 Å²	95.3	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-46.2	175.4	173.6	0	0	0	0	111	L28 S29 V30 Q34 G35 V36	L28-V32 WeakPolarHBondContact O-CG2 3.49Å; L28-V32 PolarHBondContact O-N 3.23Å; S29-V32 PolarHBondContact O-N 3.3Å; V30-V32 PolarHBondContact O-N 3.49Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.35Å; V32-G35 PolarHBondContact O-N 3.27Å; V32-V36 WeakPolarHBondContact O-CG2 3.5Å; V32-V36 PolarHBondContact O-N 3.24Å
33	I	94.1	Very high	89	Confident	97 Å²	97	94.5 Å²	94.5	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-60.9	-44.6	177.2	-66.8	165.1	0	0	0	110.5	S29 V30 G35 V36 N37	S29-I33 VanDerWaalsContact O-CG1 3.3Å; S29-I33 WeakPolarHBondContact O-CG1 3.47Å; S29-I33 PolarHBondContact O-N 3.47Å; V30-I33 PolarHBondContact O-N 2.88Å; I33-G35 VanDerWaalsContact C-N 3.35Å; I33-G35 PolarHBondContact O-N 3.14Å; I33-V36 PolarHBondContact O-N 3.2Å; I33-N37 WeakPolarHBondContact O-CB 3.34Å; I33-N37 PolarHBondContact O-N 3.22Å
34	Q	90.1	Very high	87.6	Confident	116 Å²	116	95.2 Å²	95.2	54%	0.542	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-40	175.9	-70.6	-75.8	71.1	0	0	111.4	V30 N31 V32 N37 N38	V30-Q34 HydrophobicContact CG1-CG 4.09Å; V30-Q34 VanDerWaalsContact O-CB 3.31Å; V30-Q34 WeakPolarHBondContact O-CB 3.34Å; V30-Q34 WeakPolarHBondContact O-CG 3.27Å; V30-Q34 PolarHBondContact O-N 3.37Å; N31-Q34 PolarHBondContact O-N 3.38Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.35Å; Q34-N37 PolarHBondContact O-N 2.82Å; Q34-N38 WeakPolarHBondContact O-CB 3.22Å; Q34-N38 PolarHBondContact O-N 2.84Å
35	G	92.8	Very high	86	Confident	42 Å²	42	96.6 Å²	96.6	43%	0.433	51%	0.508	S	S	.	.	H	α-helix	trans	-61.6	-45.9	175.7	0	0	0	0	0	112.6	N31 V32 I33 N38 Y39	N31-G35 PolarHBondContact O-N 2.9Å; V32-G35 PolarHBondContact O-N 3.27Å; I33-G35 VanDerWaalsContact C-N 3.35Å; I33-G35 PolarHBondContact O-N 3.14Å; G35-N38 PolarHBondContact O-N 2.83Å; G35-Y39 WeakPolarHBondContact O-CB 3.47Å; G35-Y39 PolarHBondContact O-N 2.86Å
36	V	91.5	Very high	84.2	Confident	80 Å²	80	99.4 Å²	99.4	49%	0.485	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-45.2	176.1	175	0	0	0	0	111.2	V32 I33 N38 Y39 R40	V32-V36 WeakPolarHBondContact O-CG2 3.5Å; V32-V36 PolarHBondContact O-N 3.24Å; I33-V36 PolarHBondContact O-N 3.2Å; V36-N38 PolarHBondContact O-N 2.79Å; V36-Y39 PolarHBondContact O-N 2.83Å; V36-R40 WeakPolarHBondContact O-CG 3.26Å; V36-R40 PolarHBondContact O-N 2.76Å
37	N	88	Confident	82.7	Confident	64 Å²	64	98.3 Å²	98.3	34%	0.342	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-40.3	177.7	-76.8	-15.8	0	0	0	111.9	I33 Q34 R40 L41	I33-N37 WeakPolarHBondContact O-CB 3.34Å; I33-N37 PolarHBondContact O-N 3.22Å; Q34-N37 PolarHBondContact O-N 2.82Å; N37-R40 PolarHBondContact O-N 3.39Å; N37-L41 WeakPolarHBondContact O-CB 3.24Å; N37-L41 VanDerWaalsContact O-CG 3.23Å; N37-L41 WeakPolarHBondContact O-CG 3.25Å; N37-L41 PolarHBondContact O-N 3.13Å
38	N	86.5	Confident	80.9	Confident	87 Å²	87	98.5 Å²	98.5	47%	0.465	51%	0.511	S	S	.	.	H	α-helix	trans	-68.4	-40.2	178.9	-161.5	-78.2	0	0	0	111.3	Q34 G35 V36 R40 L41 Q42	Q34-N38 WeakPolarHBondContact O-CB 3.22Å; Q34-N38 PolarHBondContact O-N 2.84Å; G35-N38 PolarHBondContact O-N 2.83Å; V36-N38 PolarHBondContact O-N 2.79Å; N38-R40 VanDerWaalsContact C-N 3.34Å; N38-R40 PolarHBondContact O-N 3.19Å; N38-L41 PolarHBondContact O-N 3.1Å; N38-Q42 WeakPolarHBondContact O-CB 3.42Å; N38-Q42 WeakPolarHBondContact O-CG 3.43Å; N38-Q42 PolarHBondContact O-N 2.59Å; N38-Q42 PolarHBondContact OD1-NE2 3.32Å
39	Y	81.4	Confident	79	Confident	172 Å²	172	96.3 Å²	96.3	68%	0.675	50%	0.502	S	S	*	.	H	α-helix	trans	-60.1	-44.2	172.2	-176.6	-100.1	0	0	0	111.8	G35 V36 N43	G35-Y39 WeakPolarHBondContact O-CB 3.47Å; G35-Y39 PolarHBondContact O-N 2.86Å; V36-Y39 PolarHBondContact O-N 2.83Å; Y39-N43 WeakPolarHBondContact O-CB 3.35Å; Y39-N43 PolarHBondContact O-N 2.87Å
40	R	78.3	Confident	77	Confident	132 Å²	132	98.1 Å²	98.1	50%	0.498	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-47.6	174.6	-73.1	-176.2	63.9	-164.7	-3.9	112.3	V36 N37 N38 Q42 N43 E44	V36-R40 WeakPolarHBondContact O-CG 3.26Å; V36-R40 PolarHBondContact O-N 2.76Å; N37-R40 PolarHBondContact O-N 3.39Å; N38-R40 VanDerWaalsContact C-N 3.34Å; N38-R40 PolarHBondContact O-N 3.19Å; R40-Q42 PolarHBondContact O-N 2.94Å; R40-N43 PolarHBondContact O-N 3.05Å; R40-E44 IonicContact CZ-OE1 3.8Å; R40-E44 IonicContact NE-OE1 3.38Å; R40-E44 PolarHBondContact NE-OE1 3.01Å; R40-E44 IonicContact NH2-OE1 3.26Å; R40-E44 PolarHBondContact NH2-OE1 3.31Å; R40-E44 VanDerWaalsContact O-CB 3.24Å; R40-E44 WeakPolarHBondContact O-CB 3.28Å; R40-E44 VanDerWaalsContact O-CG 3.31Å; R40-E44 WeakPolarHBondContact O-CG 3.45Å; R40-E44 PolarHBondContact O-N 3.33Å
41	L	76.4	Confident	75.2	Confident	114 Å²	114	97.1 Å²	97.1	60%	0.597	51%	0.507	S	S	*	.	H	α-helix	trans	-62.4	-43.6	-179.8	-75.5	170.4	0	0	0	111.9	N37 N38 N43 E44 Q45	N37-L41 WeakPolarHBondContact O-CB 3.24Å; N37-L41 VanDerWaalsContact O-CG 3.23Å; N37-L41 WeakPolarHBondContact O-CG 3.25Å; N37-L41 PolarHBondContact O-N 3.13Å; N38-L41 PolarHBondContact O-N 3.1Å; L41-N43 VanDerWaalsContact C-N 3.28Å; L41-N43 PolarHBondContact O-N 3.45Å; L41-E44 PolarHBondContact O-N 3.42Å; L41-Q45 WeakPolarHBondContact O-CA 3.46Å; L41-Q45 VanDerWaalsContact O-CB 3.28Å; L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 PolarHBondContact O-N 2.94Å
42	Q	71.9	Confident	73.1	Confident	112 Å²	112	102 Å²	102	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-37.5	175.7	-75.2	-175.1	74.3	0	0	112.1	N38 R40 Q62	N38-Q42 WeakPolarHBondContact O-CB 3.42Å; N38-Q42 WeakPolarHBondContact O-CG 3.43Å; N38-Q42 PolarHBondContact O-N 2.59Å; N38-Q42 PolarHBondContact OD1-NE2 3.32Å; R40-Q42 PolarHBondContact O-N 2.94Å; Q42-Q62 PolarHBondContact O-NE2 2.85Å
43	N	65.9	Low	71.2	Confident	68 Å²	68	101.8 Å²	101.8	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-79	-31.6	179.4	-164.5	67.5	0	0	0	113	Y39 R40 L41 S61 N63	Y39-N43 WeakPolarHBondContact O-CB 3.35Å; Y39-N43 PolarHBondContact O-N 2.87Å; R40-N43 PolarHBondContact O-N 3.05Å; L41-N43 VanDerWaalsContact C-N 3.28Å; L41-N43 PolarHBondContact O-N 3.45Å; N43-S61 PolarHBondContact O-OG 2.96Å; N43-N63 PolarHBondContact OD1-ND2 2.76Å
44	E	66.4	Low	69.2	Low	100 Å²	100	100.8 Å²	100.8	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-94.6	-10.3	-177.4	-68	178.3	-157.6	0	0	113.8	R40 L41 R46	R40-E44 IonicContact CZ-OE1 3.8Å; R40-E44 IonicContact NE-OE1 3.38Å; R40-E44 PolarHBondContact NE-OE1 3.01Å; R40-E44 IonicContact NH2-OE1 3.26Å; R40-E44 PolarHBondContact NH2-OE1 3.31Å; R40-E44 VanDerWaalsContact O-CB 3.24Å; R40-E44 WeakPolarHBondContact O-CB 3.28Å; R40-E44 VanDerWaalsContact O-CG 3.31Å; R40-E44 WeakPolarHBondContact O-CG 3.45Å; R40-E44 PolarHBondContact O-N 3.33Å; L41-E44 PolarHBondContact O-N 3.42Å; E44-R46 PolarHBondContact O-N 3.38Å
45	Q	61.5	Low	67.6	Low	132 Å²	132	103.9 Å²	103.9	62%	0.617	55%	0.549	S	S	*	.			trans	-55.5	111.4	-176.2	-164.4	171.2	9.4	0	0	110.4	L41 S61	L41-Q45 WeakPolarHBondContact O-CA 3.46Å; L41-Q45 VanDerWaalsContact O-CB 3.28Å; L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 PolarHBondContact O-N 2.94Å; Q45-S61 VanDerWaalsContact O-CA 3.26Å; Q45-S61 WeakPolarHBondContact O-CA 3.41Å; Q45-S61 WeakPolarHBondContact O-CB 3.44Å
46	R	57.6	Low	65.7	Low	162 Å²	162	104.1 Å²	104.1	61%	0.611	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	113.5	176.6	-69.1	-177.3	-178.3	-175.8	1.3	108.9	E44 A59 V60	E44-R46 PolarHBondContact O-N 3.38Å; R46-A59 HydrophobicContact CB-CB 4.47Å; R46-V60 CarbonylContact C-O 3.58Å; R46-V60 WeakPolarHBondContact CA-O 3.24Å
47	T	62.9	Low	63.9	Low	83 Å²	83	104.3 Å²	104.3	51%	0.509	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.2	167.3	-54.2	0	0	0	0	107.7	V49 V60	T47-V49 HydrophobicContact CG2-CG2 3.86Å; T47-V49 PolarHBondContact O-N 3.49Å; T47-V60 PolarHBondContact N-O 3.05Å; T47-V60 WeakPolarHBondContact O-CG2 3.37Å; T47-V60 PolarHBondContact O-N 2.99Å
48	A	56.8	Low	62.4	Low	69 Å²	69	102 Å²	102	57%	0.57	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.8	169.3	0	0	0	0	0	108.5	P57 F58	A48-P57 HydrophobicContact CB-CB 4.49Å; A48-F58 CarbonylContact C-O 3.49Å; A48-F58 VanDerWaalsContact CA-O 3.23Å; A48-F58 WeakPolarHBondContact CA-O 3.42Å
49	V	57.3	Low	61.1	Low	73 Å²	73	99.3 Å²	99.3	44%	0.442	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.9	170.8	-176	0	0	0	0	107.6	T47 P51 F58	T47-V49 HydrophobicContact CG2-CG2 3.86Å; T47-V49 PolarHBondContact O-N 3.49Å; V49-P51 WeakPolarHBondContact O-CD 3.34Å; V49-F58 PolarHBondContact N-O 3.48Å; V49-F58 PolarHBondContact O-N 2.98Å; V49-F58 VanDerWaalsContact O-N 3.17Å
50	T	53.4	Low	59.8	Low	90 Å²	90	91.9 Å²	91.9	55%	0.552	50%	0.499	S	S	*	.			trans	-100.9	99.2	167.8	43.7	0	0	0	0	108	P57	T50-P57 VanDerWaalsContact CG2-CA 3.42Å; T50-P57 HydrophobicContact CG2-CB 3.72Å
51	P	56.2	Low	58.7	Low	54 Å²	54	85.8 Å²	85.8	35%	0.351	48%	0.477	S	S	.	.			trans	-61.9	144.1	169.5	-13.7	26.3	0	0	0	109.2	V49 A53 F54 F58	V49-P51 WeakPolarHBondContact O-CD 3.34Å; P51-A53 VanDerWaalsContact C-N 3.26Å; P51-A53 PolarHBondContact O-N 3.44Å; P51-F54 HydrophobicContact CB-CD2 3.82Å; P51-F54 HydrophobicContact CB-CE2 4.04Å; P51-F54 HydrophobicContact CG-CD2 3.95Å; P51-F54 HydrophobicContact CG-CE2 4.18Å; P51-F54 PolarHBondContact O-N 2.86Å; P51-F58 VanDerWaalsContact CD-CE2 3.47Å; P51-F58 HydrophobicContact CG-CD2 3.86Å; P51-F58 HydrophobicContact CG-CE2 3.72Å
52	M	50.6	Low	57.7	Low	202 Å²	202	84.7 Å²	84.7	100%	0.995	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	83.9	176.8	-172	174.6	-169.1	0	0	109.6
53	A	55.6	Low	57	Low	88 Å²	88	82.5 Å²	82.5	73%	0.727	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	173.6	-8.9	172.2	0	0	0	0	0	111.6	P51	P51-A53 VanDerWaalsContact C-N 3.26Å; P51-A53 PolarHBondContact O-N 3.44Å
54	F	51.6	Low	57	Low	77 Å²	77	81.4 Å²	81.4	34%	0.338	46%	0.458	S	S	.	.			trans	-117.5	137.9	-171.8	-60.9	-83.3	0	0	0	112.8	P51 A56 F58 Q72	P51-F54 HydrophobicContact CB-CD2 3.82Å; P51-F54 HydrophobicContact CB-CE2 4.04Å; P51-F54 HydrophobicContact CG-CD2 3.95Å; P51-F54 HydrophobicContact CG-CE2 4.18Å; P51-F54 PolarHBondContact O-N 2.86Å; F54-A56 VanDerWaalsContact C-N 3.26Å; F54-A56 PolarHBondContact O-N 3.3Å; F54-F58 HydrophobicContact CB-CE2 4.2Å; F54-F58 HydrophobicContact CB-CZ 4.26Å; F54-F58 HydrophobicContact CD1-CE2 4.27Å; F54-F58 AromaticContact CD1-CZ 3.77Å; F54-F58 HydrophobicContact CD1-CZ 3.77Å; F54-F58 AromaticContact CD2-CE2 3.7Å; F54-F58 HydrophobicContact CD2-CE2 3.7Å; F54-F58 HydrophobicContact CD2-CZ 4.04Å; F54-F58 HydrophobicContact CE1-CZ 4.09Å; F54-F58 HydrophobicContact CE2-CE2 4.1Å; F54-F58 HydrophobicContact CE2-CZ 4.33Å; F54-F58 AromaticContact CG-CE2 3.78Å; F54-F58 HydrophobicContact CG-CE2 3.78Å; F54-F58 AromaticContact CG-CZ 3.74Å; F54-F58 HydrophobicContact CG-CZ 3.74Å; F54-F58 HydrophobicContact CZ-CZ 4.35Å; F54-Q72 VanDerWaalsContact CE1-CD 3.49Å; F54-Q72 HydrophobicContact CE1-CG 3.93Å; F54-Q72 HydrophobicContact CZ-CG 4.22Å
55	N	56.5	Low	57.2	Low	181 Å²	181	77.2 Å²	77.2	97%	0.968	44%	0.441	S	S	*	.	S	Bend	trans	-83.9	9.5	175.7	-70.1	-17.6	0	0	0	113.6
56	A	53.4	Low	58.2	Low	47 Å²	47	72.5 Å²	72.5	39%	0.388	42%	0.419	S	S	.	.	S	Bend	trans	-139.1	136.1	-179.9	0	0	0	0	0	111.6	F54	F54-A56 VanDerWaalsContact C-N 3.26Å; F54-A56 PolarHBondContact O-N 3.3Å
57	P	53.9	Low	59.6	Low	84 Å²	84	66.6 Å²	66.6	55%	0.545	41%	0.406	S	S	.	.			trans	-66.1	133.4	172.2	27.1	-32.2	0	0	0	111.1	A48 T50	A48-P57 HydrophobicContact CB-CB 4.49Å; T50-P57 VanDerWaalsContact CG2-CA 3.42Å; T50-P57 HydrophobicContact CG2-CB 3.72Å
58	F	56.6	Low	60.6	Low	14 Å²	14	65.1 Å²	65.1	6%	0.061	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.2	167.2	-58	-67.4	0	0	0	109.1	A48 V49 P51 F54 V60 D66 Q72	A48-F58 CarbonylContact C-O 3.49Å; A48-F58 VanDerWaalsContact CA-O 3.23Å; A48-F58 WeakPolarHBondContact CA-O 3.42Å; V49-F58 PolarHBondContact N-O 3.48Å; V49-F58 PolarHBondContact O-N 2.98Å; V49-F58 VanDerWaalsContact O-N 3.17Å; P51-F58 VanDerWaalsContact CD-CE2 3.47Å; P51-F58 HydrophobicContact CG-CD2 3.86Å; P51-F58 HydrophobicContact CG-CE2 3.72Å; F54-F58 HydrophobicContact CB-CE2 4.2Å; F54-F58 HydrophobicContact CB-CZ 4.26Å; F54-F58 HydrophobicContact CD1-CE2 4.27Å; F54-F58 AromaticContact CD1-CZ 3.77Å; F54-F58 HydrophobicContact CD1-CZ 3.77Å; F54-F58 AromaticContact CD2-CE2 3.7Å; F54-F58 HydrophobicContact CD2-CE2 3.7Å; F54-F58 HydrophobicContact CD2-CZ 4.04Å; F54-F58 HydrophobicContact CE1-CZ 4.09Å; F54-F58 HydrophobicContact CE2-CE2 4.1Å; F54-F58 HydrophobicContact CE2-CZ 4.33Å; F54-F58 AromaticContact CG-CE2 3.78Å; F54-F58 HydrophobicContact CG-CE2 3.78Å; F54-F58 AromaticContact CG-CZ 3.74Å; F54-F58 HydrophobicContact CG-CZ 3.74Å; F54-F58 HydrophobicContact CZ-CZ 4.35Å; F58-V60 HydrophobicContact CB-CG1 4.35Å; F58-V60 PolarHBondContact O-N 3.25Å; F58-D66 VanDerWaalsContact CA-OD2 3.22Å; F58-D66 WeakPolarHBondContact CA-OD2 3.49Å; F58-Q72 HydrophobicContact CE1-CG 4.09Å; F58-Q72 HydrophobicContact CZ-CG 3.88Å
59	A	58.4	Low	62.1	Low	31 Å²	31	64 Å²	64	26%	0.256	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	101.5	169.9	0	0	0	0	0	109	R46 D66	R46-A59 HydrophobicContact CB-CB 4.47Å; A59-D66 PolarHBondContact N-OD2 2.85Å; A59-D66 PolarHBondContact O-N 2.94Å
60	V	54.5	Low	63.7	Low	17 Å²	17	60.9 Å²	60.9	10%	0.103	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.4	177.3	-67.6	0	0	0	0	110.3	R46 T47 F58 A65 Y69	R46-V60 CarbonylContact C-O 3.58Å; R46-V60 WeakPolarHBondContact CA-O 3.24Å; T47-V60 PolarHBondContact N-O 3.05Å; T47-V60 WeakPolarHBondContact O-CG2 3.37Å; T47-V60 PolarHBondContact O-N 2.99Å; F58-V60 HydrophobicContact CB-CG1 4.35Å; F58-V60 PolarHBondContact O-N 3.25Å; V60-A65 HydrophobicContact CG1-CB 4.38Å; V60-Y69 HydrophobicContact CG1-CD1 4.28Å; V60-Y69 HydrophobicContact CG1-CD2 3.67Å; V60-Y69 HydrophobicContact CG1-CE2 4.19Å; V60-Y69 HydrophobicContact CG1-CG 3.71Å
61	S	56.5	Low	65.5	Low	3 Å²	3	59.8 Å²	59.8	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	172.4	166.1	129	0	0	0	0	110.4	N43 Q45 N63 S64 R170	N43-S61 PolarHBondContact O-OG 2.96Å; Q45-S61 VanDerWaalsContact O-CA 3.26Å; Q45-S61 WeakPolarHBondContact O-CA 3.41Å; Q45-S61 WeakPolarHBondContact O-CB 3.44Å; S61-N63 PolarHBondContact O-N 2.94Å; S61-N63 PolarHBondContact OG-N 3.09Å; S61-S64 WeakPolarHBondContact CA-O 3.2Å; S61-S64 WeakPolarHBondContact CB-OG 3.19Å; S61-S64 PolarHBondContact N-O 2.86Å; S61-S64 PolarHBondContact OG-N 2.92Å; S61-S64 PolarHBondContact OG-OG 2.82Å; S61-R170 PolarHBondContact O-NE 2.9Å; S61-R170 PolarHBondContact O-NH2 2.93Å
62	Q	55.4	Low	67	Low	92 Å²	92	60.1 Å²	60.1	43%	0.43	35%	0.346	S	S	.	.	S	Bend	trans	-51.6	-40.4	173.7	-68.4	-168.6	22.9	0	0	112.7	Q42 R170 G173	Q42-Q62 PolarHBondContact O-NE2 2.85Å; Q62-R170 WeakPolarHBondContact O-CG 3.48Å; Q62-R170 PolarHBondContact O-NE 3.37Å; Q62-G173 PolarHBondContact O-N 2.96Å
63	N	57.3	Low	69	Low	66 Å²	66	52 Å²	52	35%	0.353	31%	0.306	S	S	.	.	S	Bend	trans	-122	-8.6	-171.5	-67.1	-37.2	0	0	0	114.3	N43 S61	N43-N63 PolarHBondContact OD1-ND2 2.76Å; S61-N63 PolarHBondContact O-N 2.94Å; S61-N63 PolarHBondContact OG-N 3.09Å
64	S	64.4	Low	70.9	Confident	44 Å²	44	47.8 Å²	47.8	31%	0.308	27%	0.271	S	S	.	.			trans	-122.9	143.5	175.2	62.6	0	0	0	0	110.5	S61	S61-S64 WeakPolarHBondContact CA-O 3.2Å; S61-S64 WeakPolarHBondContact CB-OG 3.19Å; S61-S64 PolarHBondContact N-O 2.86Å; S61-S64 PolarHBondContact OG-N 2.92Å; S61-S64 PolarHBondContact OG-OG 2.82Å
65	A	72.1	Confident	73	Confident	13 Å²	13	45.5 Å²	45.5	11%	0.107	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-124.8	147.3	171.9	0	0	0	0	0	109.2	V60 Y69 L70	V60-A65 HydrophobicContact CG1-CB 4.38Å; A65-Y69 HydrophobicContact CB-CD1 3.32Å; A65-Y69 HydrophobicContact CB-CE1 3.93Å; A65-Y69 HydrophobicContact CB-CG 4.06Å; A65-L70 HydrophobicContact CB-CD2 4.04Å; A65-L70 HydrophobicContact CB-CG 4Å
66	D	82.1	Confident	74.8	Confident	32 Å²	32	39.7 Å²	39.7	17%	0.171	24%	0.236	C	C	.	.			trans	-70	166	173.8	65.1	2.8	0	0	0	112	F58 A59 S68 Y69 L70	F58-D66 VanDerWaalsContact CA-OD2 3.22Å; F58-D66 WeakPolarHBondContact CA-OD2 3.49Å; A59-D66 PolarHBondContact N-OD2 2.85Å; A59-D66 PolarHBondContact O-N 2.94Å; D66-S68 PolarHBondContact O-N 2.93Å; D66-Y69 PolarHBondContact O-N 2.96Å; D66-Y69 WeakPolarHBondContact OD1-CB 3.45Å; D66-Y69 PolarHBondContact OD1-N 3.31Å; D66-L70 WeakPolarHBondContact O-CG 3.34Å; D66-L70 PolarHBondContact O-N 3.47Å
67	A	85.9	Confident	76.8	Confident	39 Å²	39	37.5 Å²	37.5	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-58.9	-40.2	-178.5	0	0	0	0	0	111.8	L70 Q71 V135 P137	A67-L70 PolarHBondContact O-N 2.92Å; A67-Q71 WeakPolarHBondContact O-CB 3.35Å; A67-Q71 PolarHBondContact O-N 3.3Å; A67-V135 HydrophobicContact CB-CB 4.17Å; A67-V135 HydrophobicContact CB-CG1 4.04Å; A67-P137 HydrophobicContact CB-CG 3.71Å
68	S	85.3	Confident	78.9	Confident	52 Å²	52	33.7 Å²	33.7	36%	0.364	19%	0.193	S	C	.	.	H	α-helix	trans	-64	-44	-178.7	-54.8	0	0	0	0	111.7	D66 Q71 Q72	D66-S68 PolarHBondContact O-N 2.93Å; S68-Q71 WeakPolarHBondContact O-CB 3.27Å; S68-Q71 PolarHBondContact O-N 3.42Å; S68-Q72 WeakPolarHBondContact O-CG 3.44Å; S68-Q72 PolarHBondContact O-N 2.9Å; S68-Q72 VanDerWaalsContact O-N 3.12Å
69	Y	86.5	Confident	80.8	Confident	46 Å²	46	34.7 Å²	34.7	18%	0.18	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-48	175.9	174.2	-91	0	0	0	111.8	V60 A65 D66 Q71 Q72 M73 T175	V60-Y69 HydrophobicContact CG1-CD1 4.28Å; V60-Y69 HydrophobicContact CG1-CD2 3.67Å; V60-Y69 HydrophobicContact CG1-CE2 4.19Å; V60-Y69 HydrophobicContact CG1-CG 3.71Å; A65-Y69 HydrophobicContact CB-CD1 3.32Å; A65-Y69 HydrophobicContact CB-CE1 3.93Å; A65-Y69 HydrophobicContact CB-CG 4.06Å; D66-Y69 PolarHBondContact O-N 2.96Å; D66-Y69 WeakPolarHBondContact OD1-CB 3.45Å; D66-Y69 PolarHBondContact OD1-N 3.31Å; Y69-Q71 VanDerWaalsContact C-N 3.31Å; Y69-Q71 PolarHBondContact O-N 3.41Å; Y69-Q72 PolarHBondContact O-N 3.14Å; Y69-Q72 VanDerWaalsContact O-N 3.17Å; Y69-M73 HydrophobicContact CD1-CG 4.06Å; Y69-M73 HydrophobicContact CE1-CG 3.63Å; Y69-M73 HydrophobicContact CE2-CG 4.08Å; Y69-M73 HydrophobicContact CE2-SD 4.35Å; Y69-M73 WeakPolarHBondContact O-CG 3.41Å; Y69-M73 PolarHBondContact O-N 3.49Å; Y69-T175 HydrophobicContact CE1-CG2 4.14Å; Y69-T175 VanDerWaalsContact CE1-OG1 3.26Å; Y69-T175 WeakPolarHBondContact CE1-OG1 3.11Å; Y69-T175 WeakPolarHBondContact OH-CB 3.36Å; Y69-T175 PolarHBondContact OH-OG1 3.42Å
70	L	91.3	Very high	82.6	Confident	7 Å²	7	35.2 Å²	35.2	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-40.7	179.7	-68.6	174.3	0	0	0	111.7	A65 D66 A67 Q72 M73 A74 V135 P137 V142 L168	A65-L70 HydrophobicContact CB-CD2 4.04Å; A65-L70 HydrophobicContact CB-CG 4Å; D66-L70 WeakPolarHBondContact O-CG 3.34Å; D66-L70 PolarHBondContact O-N 3.47Å; A67-L70 PolarHBondContact O-N 2.92Å; L70-Q72 PolarHBondContact O-N 2.7Å; L70-M73 PolarHBondContact O-N 3.32Å; L70-A74 VanDerWaalsContact O-CB 3.31Å; L70-A74 WeakPolarHBondContact O-CB 3.15Å; L70-A74 PolarHBondContact O-N 2.88Å; L70-V135 HydrophobicContact CB-CG1 3.87Å; L70-V135 HydrophobicContact CD1-CG1 4.06Å; L70-P137 HydrophobicContact CD1-CB 4.14Å; L70-V142 HydrophobicContact CB-CG2 4.03Å; L70-L168 HydrophobicContact CB-CD1 4.4Å; L70-L168 HydrophobicContact CD2-CB 3.98Å; L70-L168 HydrophobicContact CD2-CD1 3.87Å
71	Q	91.2	Very high	84.6	Confident	67 Å²	67	35.7 Å²	35.7	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-56	-49.4	173.1	174.7	168.4	-33.4	0	0	111.7	A67 S68 Y69 A74 L75 V133 V135	A67-Q71 WeakPolarHBondContact O-CB 3.35Å; A67-Q71 PolarHBondContact O-N 3.3Å; S68-Q71 WeakPolarHBondContact O-CB 3.27Å; S68-Q71 PolarHBondContact O-N 3.42Å; Y69-Q71 VanDerWaalsContact C-N 3.31Å; Y69-Q71 PolarHBondContact O-N 3.41Å; Q71-A74 PolarHBondContact O-N 3.17Å; Q71-L75 HydrophobicContact CG-CD1 3.95Å; Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 VanDerWaalsContact O-CG 3.3Å; Q71-L75 WeakPolarHBondContact O-CG 3.49Å; Q71-L75 PolarHBondContact O-N 3.24Å; Q71-V133 HydrophobicContact CB-CG1 4.47Å; Q71-V133 HydrophobicContact CG-CB 4.47Å; Q71-V133 HydrophobicContact CG-CG1 3.83Å; Q71-V135 HydrophobicContact CB-CG2 3.8Å
72	Q	89	Confident	86.5	Confident	61 Å²	61	36.6 Å²	36.6	29%	0.285	21%	0.207	S	C	.	.	H	α-helix	trans	-66.1	-40.7	-178.5	-66.3	-58.1	-24.6	0	0	112.5	F54 F58 S68 Y69 L70 L75 S76	F54-Q72 VanDerWaalsContact CE1-CD 3.49Å; F54-Q72 HydrophobicContact CE1-CG 3.93Å; F54-Q72 HydrophobicContact CZ-CG 4.22Å; F58-Q72 HydrophobicContact CE1-CG 4.09Å; F58-Q72 HydrophobicContact CZ-CG 3.88Å; S68-Q72 WeakPolarHBondContact O-CG 3.44Å; S68-Q72 PolarHBondContact O-N 2.9Å; S68-Q72 VanDerWaalsContact O-N 3.12Å; Y69-Q72 PolarHBondContact O-N 3.14Å; Y69-Q72 VanDerWaalsContact O-N 3.17Å; L70-Q72 PolarHBondContact O-N 2.7Å; Q72-L75 PolarHBondContact O-N 3.15Å; Q72-S76 WeakPolarHBondContact O-CB 3.49Å; Q72-S76 PolarHBondContact O-N 2.6Å; Q72-S76 PolarHBondContact O-OG 3.06Å
73	M	92.5	Very high	88.5	Confident	30 Å²	30	35.5 Å²	35.5	15%	0.148	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-46.5	175.6	-70.5	-60.4	-76.9	0	0	110.9	Y69 L70 L75 S76 F77 Y99 L168 T175	Y69-M73 HydrophobicContact CD1-CG 4.06Å; Y69-M73 HydrophobicContact CE1-CG 3.63Å; Y69-M73 HydrophobicContact CE2-CG 4.08Å; Y69-M73 HydrophobicContact CE2-SD 4.35Å; Y69-M73 WeakPolarHBondContact O-CG 3.41Å; Y69-M73 PolarHBondContact O-N 3.49Å; L70-M73 PolarHBondContact O-N 3.32Å; M73-L75 PolarHBondContact O-N 3.26Å; M73-S76 WeakPolarHBondContact O-CB 3.46Å; M73-S76 PolarHBondContact O-N 2.83Å; M73-F77 HydrophobicContact CB-CE2 4.19Å; M73-F77 HydrophobicContact CB-CZ 4.49Å; M73-F77 HydrophobicContact CE-CE1 4.02Å; M73-F77 HydrophobicContact CE-CE2 4.2Å; M73-F77 HydrophobicContact CE-CZ 3.44Å; M73-F77 VanDerWaalsContact CE-CZ 3.44Å; M73-F77 VanDerWaalsContact O-CD2 3.28Å; M73-F77 WeakPolarHBondContact O-CD2 3.34Å; M73-F77 WeakPolarHBondContact O-CG 3.38Å; M73-F77 PolarHBondContact O-N 2.8Å; M73-Y99 HydrophobicContact CE-CD1 4.21Å; M73-Y99 HydrophobicContact CE-CE1 4.1Å; M73-L168 HydrophobicContact CB-CD1 3.84Å; M73-T175 HydrophobicContact CE-CG2 4.12Å; M73-T175 HydrophobicContact CG-CG2 4.45Å
74	A	95.1	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-43.2	178.9	0	0	0	0	0	112.4	L70 Q71 S76 F77 I78 V142 I144 L166 L168	L70-A74 VanDerWaalsContact O-CB 3.31Å; L70-A74 WeakPolarHBondContact O-CB 3.15Å; L70-A74 PolarHBondContact O-N 2.88Å; Q71-A74 PolarHBondContact O-N 3.17Å; A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 2.85Å; A74-F77 PolarHBondContact O-N 3.01Å; A74-I78 WeakPolarHBondContact O-CG1 3.34Å; A74-I78 PolarHBondContact O-N 3.26Å; A74-V142 HydrophobicContact CB-CB 3.63Å; A74-V142 HydrophobicContact CB-CG1 3.55Å; A74-V142 HydrophobicContact CB-CG2 3.8Å; A74-I144 HydrophobicContact CB-CD1 3.68Å; A74-L166 HydrophobicContact CB-CB 4.47Å; A74-L166 HydrophobicContact CB-CD2 3.94Å; A74-L168 HydrophobicContact CB-CD1 4.27Å
75	L	94.5	Very high	92	Very high	29 Å²	29	31.2 Å²	31.2	15%	0.152	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-41.3	174.5	-73.5	171.3	0	0	0	111.9	Q71 Q72 M73 I78 A79 Q130 V133 I144	Q71-L75 HydrophobicContact CG-CD1 3.95Å; Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 VanDerWaalsContact O-CG 3.3Å; Q71-L75 WeakPolarHBondContact O-CG 3.49Å; Q71-L75 PolarHBondContact O-N 3.24Å; Q72-L75 PolarHBondContact O-N 3.15Å; M73-L75 PolarHBondContact O-N 3.26Å; L75-I78 PolarHBondContact O-N 2.82Å; L75-A79 WeakPolarHBondContact O-CB 3.39Å; L75-A79 PolarHBondContact O-N 3.46Å; L75-Q130 HydrophobicContact CD2-CB 4.17Å; L75-Q130 HydrophobicContact CD2-CG 3.9Å; L75-V133 HydrophobicContact CD2-CG2 3.98Å; L75-I144 HydrophobicContact CD2-CD1 4.16Å; L75-I144 HydrophobicContact CD2-CG2 4.48Å; L75-I144 HydrophobicContact CG-CD1 4.45Å
76	S	94.5	Very high	93.1	Very high	59 Å²	59	31.6 Å²	31.6	41%	0.413	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-43.7	176.1	-57.5	0	0	0	0	111.5	Q72 M73 A74 A79 L80	Q72-S76 WeakPolarHBondContact O-CB 3.49Å; Q72-S76 PolarHBondContact O-N 2.6Å; Q72-S76 PolarHBondContact O-OG 3.06Å; M73-S76 WeakPolarHBondContact O-CB 3.46Å; M73-S76 PolarHBondContact O-N 2.83Å; A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 2.85Å; S76-A79 PolarHBondContact O-N 2.94Å; S76-L80 WeakPolarHBondContact O-CG 3.32Å; S76-L80 PolarHBondContact O-N 2.83Å
77	F	96.5	Very high	93.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-39.7	178.7	-62.7	-26.3	0	0	0	112.9	M73 A74 A79 L80 R81 L96 Y99 L166 L168 L177	M73-F77 HydrophobicContact CB-CE2 4.19Å; M73-F77 HydrophobicContact CB-CZ 4.49Å; M73-F77 HydrophobicContact CE-CE1 4.02Å; M73-F77 HydrophobicContact CE-CE2 4.2Å; M73-F77 HydrophobicContact CE-CZ 3.44Å; M73-F77 VanDerWaalsContact CE-CZ 3.44Å; M73-F77 VanDerWaalsContact O-CD2 3.28Å; M73-F77 WeakPolarHBondContact O-CD2 3.34Å; M73-F77 WeakPolarHBondContact O-CG 3.38Å; M73-F77 PolarHBondContact O-N 2.8Å; A74-F77 PolarHBondContact O-N 3.01Å; F77-A79 VanDerWaalsContact C-N 3.35Å; F77-L80 HydrophobicContact CD1-CD1 4.46Å; F77-L80 PolarHBondContact O-N 2.77Å; F77-R81 WeakPolarHBondContact O-CB 2.98Å; F77-R81 PolarHBondContact O-N 3.48Å; F77-R81 VanDerWaalsContact O-N 3.13Å; F77-L96 HydrophobicContact CB-CD1 4.05Å; F77-L96 HydrophobicContact CD1-CD1 4.07Å; F77-L96 HydrophobicContact CG-CD1 4.27Å; F77-Y99 HydrophobicContact CD1-CD2 4.36Å; F77-Y99 HydrophobicContact CD1-CG 4.4Å; F77-Y99 AromaticContact CE1-CD1 3.74Å; F77-Y99 HydrophobicContact CE1-CD1 3.74Å; F77-Y99 AromaticContact CE1-CD2 3.59Å; F77-Y99 HydrophobicContact CE1-CD2 3.59Å; F77-Y99 HydrophobicContact CE1-CE1 4.3Å; F77-Y99 HydrophobicContact CE1-CE2 4.18Å; F77-Y99 AromaticContact CE1-CG 3.34Å; F77-Y99 HydrophobicContact CE1-CG 3.34Å; F77-Y99 AromaticContact CZ-CD1 3.78Å; F77-Y99 HydrophobicContact CZ-CD1 3.78Å; F77-Y99 HydrophobicContact CZ-CD2 4.38Å; F77-Y99 AromaticContact CZ-CG 3.68Å; F77-Y99 HydrophobicContact CZ-CG 3.68Å; F77-L166 HydrophobicContact CB-CD2 3.97Å; F77-L166 HydrophobicContact CD2-CD2 4.49Å; F77-L168 HydrophobicContact CD2-CD2 3.73Å; F77-L168 HydrophobicContact CE2-CD2 3.62Å; F77-L177 HydrophobicContact CB-CD2 4.27Å; F77-L177 HydrophobicContact CD2-CB 4Å; F77-L177 HydrophobicContact CD2-CD1 4.08Å; F77-L177 HydrophobicContact CD2-CD2 4.32Å; F77-L177 HydrophobicContact CD2-CG 4.37Å; F77-L177 HydrophobicContact CE2-CB 3.96Å; F77-L177 HydrophobicContact CG-CD2 4.35Å
78	I	96.4	Very high	94.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-45.4	172.3	-75.4	-165.5	0	0	0	110.8	A74 L75 L80 R81 L82 F128 I144 Y164 L166 F180	A74-I78 WeakPolarHBondContact O-CG1 3.34Å; A74-I78 PolarHBondContact O-N 3.26Å; L75-I78 PolarHBondContact O-N 2.82Å; I78-L80 PolarHBondContact O-N 2.92Å; I78-R81 PolarHBondContact O-N 3.38Å; I78-R81 VanDerWaalsContact O-N 3.14Å; I78-L82 HydrophobicContact CG2-CD1 3.97Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CB 3.24Å; I78-L82 PolarHBondContact O-N 3.49Å; I78-F128 HydrophobicContact CD1-CE1 4.42Å; I78-F128 HydrophobicContact CG2-CB 4.35Å; I78-F128 HydrophobicContact CG2-CD1 3.44Å; I78-F128 VanDerWaalsContact CG2-CD1 3.44Å; I78-F128 HydrophobicContact CG2-CE1 3.86Å; I78-F128 HydrophobicContact CG2-CG 4Å; I78-I144 HydrophobicContact CD1-CB 3.55Å; I78-I144 HydrophobicContact CD1-CD1 3.35Å; I78-I144 HydrophobicContact CD1-CG1 3.9Å; I78-I144 HydrophobicContact CD1-CG2 3.78Å; I78-I144 HydrophobicContact CG1-CD1 4.06Å; I78-Y164 HydrophobicContact CD1-CD2 4.16Å; I78-Y164 HydrophobicContact CD1-CG 4.33Å; I78-L166 HydrophobicContact CD1-CD1 3.89Å; I78-L166 HydrophobicContact CG1-CD1 3.9Å; I78-L166 HydrophobicContact CG1-CD2 3.93Å; I78-F180 HydrophobicContact CG1-CE2 3.82Å; I78-F180 HydrophobicContact CG1-CZ 3.94Å
79	A	96.5	Very high	94.9	Very high	35 Å²	35	35.8 Å²	35.8	29%	0.289	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-46.2	177.4	0	0	0	0	0	111.6	L75 S76 F77 R81 N83	L75-A79 WeakPolarHBondContact O-CB 3.39Å; L75-A79 PolarHBondContact O-N 3.46Å; S76-A79 PolarHBondContact O-N 2.94Å; F77-A79 VanDerWaalsContact C-N 3.35Å; A79-R81 PolarHBondContact O-N 2.93Å; A79-R81 VanDerWaalsContact O-N 3.1Å; A79-N83 HydrophobicContact CB-CB 4.48Å; A79-N83 WeakPolarHBondContact O-CA 3.32Å; A79-N83 VanDerWaalsContact O-CB 3.28Å; A79-N83 WeakPolarHBondContact O-CB 3.42Å; A79-N83 PolarHBondContact O-N 3.29Å
80	L	96.5	Very high	95.4	Very high	43 Å²	43	37.5 Å²	37.5	23%	0.225	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-22.3	177.3	-73.9	173.7	0	0	0	113.5	S76 F77 I78 S92 A95 L96	S76-L80 WeakPolarHBondContact O-CG 3.32Å; S76-L80 PolarHBondContact O-N 2.83Å; F77-L80 HydrophobicContact CD1-CD1 4.46Å; F77-L80 PolarHBondContact O-N 2.77Å; I78-L80 PolarHBondContact O-N 2.92Å; L80-S92 VanDerWaalsContact CA-OG 3.24Å; L80-S92 WeakPolarHBondContact CA-OG 3.33Å; L80-S92 WeakPolarHBondContact O-CB 3.15Å; L80-S92 PolarHBondContact O-OG 3.24Å; L80-A95 HydrophobicContact CD1-CB 4.34Å; L80-A95 HydrophobicContact CD2-CB 3.9Å; L80-L96 HydrophobicContact CB-CB 4.24Å; L80-L96 HydrophobicContact CB-CD1 4.32Å
81	R	96.5	Very high	95.6	Very high	26 Å²	26	40.3 Å²	40.3	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-97.9	-42.4	-177.4	-172.9	51.7	160.1	139.3	6.6	113.7	F77 I78 A79 H93 L96 E115 F180	F77-R81 WeakPolarHBondContact O-CB 2.98Å; F77-R81 PolarHBondContact O-N 3.48Å; F77-R81 VanDerWaalsContact O-N 3.13Å; I78-R81 PolarHBondContact O-N 3.38Å; I78-R81 VanDerWaalsContact O-N 3.14Å; A79-R81 PolarHBondContact O-N 2.93Å; A79-R81 VanDerWaalsContact O-N 3.1Å; R81-H93 PolarHBondContact NH1-CE1 3.49Å; R81-H93 PolarHBondContact NH1-NE2 3.18Å; R81-L96 HydrophobicContact CB-CD2 3.98Å; R81-L96 HydrophobicContact CG-CD2 4.25Å; R81-E115 IonicContact CZ-OE1 3.92Å; R81-E115 IonicContact CZ-OE2 3.55Å; R81-E115 IonicContact NE-OE2 2.96Å; R81-E115 IonicContact NH1-OE1 2.78Å; R81-E115 IonicContact NH1-OE2 3.05Å; R81-E115 PolarHBondContact NH1-OE2 3.28Å; R81-E115 IonicContact NH2-OE1 2.87Å; R81-E115 PolarHBondContact NH2-OE1 3.38Å; R81-E115 IonicContact NH2-OE2 3.55Å; R81-E115 PolarHBondContact NH2-OE2 3.26Å; R81-F180 HydrophobicContact CB-CE2 3.95Å; R81-F180 HydrophobicContact CB-CZ 4.13Å; R81-F180 HydrophobicContact CG-CE1 4.46Å; R81-F180 HydrophobicContact CG-CE2 4.06Å; R81-F180 HydrophobicContact CG-CZ 3.96Å
82	L	96.9	Very high	95.9	Very high	23 Å²	23	37.9 Å²	37.9	12%	0.12	22%	0.219	C	C	.	.	H	α-helix	trans	-110.3	-17.9	-168.2	-56.3	-175.7	0	0	0	113.4	I78 V84 S126 F128 L148 Y164 F180	I78-L82 HydrophobicContact CG2-CD1 3.97Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CB 3.24Å; I78-L82 PolarHBondContact O-N 3.49Å; L82-V84 PolarHBondContact O-N 2.82Å; L82-S126 CarbonylContact O-C 3.59Å; L82-S126 VanDerWaalsContact O-C 3.29Å; L82-S126 WeakPolarHBondContact O-CB 3.31Å; L82-S126 VanDerWaalsContact O-O 3.13Å; L82-S126 PolarHBondContact O-OG 2.79Å; L82-F128 HydrophobicContact CB-CB 3.94Å; L82-F128 HydrophobicContact CD1-CB 4.11Å; L82-F128 HydrophobicContact CD1-CD2 4.06Å; L82-F128 HydrophobicContact CD1-CG 4.09Å; L82-L148 HydrophobicContact CB-CD1 4.29Å; L82-Y164 HydrophobicContact CD1-CD2 4.04Å; L82-Y164 HydrophobicContact CD1-CE1 4.38Å; L82-Y164 HydrophobicContact CD1-CE2 3.32Å; L82-F180 HydrophobicContact CD1-CZ 4.36Å; L82-F180 HydrophobicContact CG-CZ 4.34Å
83	N	97.6	Very high	96.2	Very high	69 Å²	69	35.3 Å²	35.3	37%	0.369	21%	0.207	S	C	.	.	S	Bend	trans	-98.8	73.3	178.7	-61	-0.8	0	0	0	109.3	A79 S126 F128	A79-N83 HydrophobicContact CB-CB 4.48Å; A79-N83 WeakPolarHBondContact O-CA 3.32Å; A79-N83 VanDerWaalsContact O-CB 3.28Å; A79-N83 WeakPolarHBondContact O-CB 3.42Å; A79-N83 PolarHBondContact O-N 3.29Å; N83-S126 CarbonylContact C-O 3.57Å; N83-S126 WeakPolarHBondContact CA-O 3.48Å; N83-F128 WeakPolarHBondContact OD1-CB 3.24Å; N83-F128 PolarHBondContact OD1-N 3.47Å
84	V	97.7	Very high	96.4	Very high	2 Å²	2	40 Å²	40	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.8	-170.9	-65.2	0	0	0	0	111.4	L82 V89 I119 N125 S126	L82-V84 PolarHBondContact O-N 2.82Å; V84-V89 HydrophobicContact CB-CB 4.14Å; V84-V89 HydrophobicContact CB-CG2 4.29Å; V84-V89 HydrophobicContact CG2-CG2 4.25Å; V84-I119 HydrophobicContact CG2-CD1 3.83Å; V84-N125 PolarHBondContact O-OD1 3.46Å; V84-S126 PolarHBondContact N-O 2.89Å; V84-S126 PolarHBondContact O-N 2.82Å
85	S	96.9	Very high	96.4	Very high	18 Å²	18	41.3 Å²	41.3	13%	0.126	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	169.8	171.7	72.9	0	0	0	0	109.9	E87 T88 V89	S85-E87 WeakPolarHBondContact CB-OE2 3.43Å; S85-E87 PolarHBondContact O-N 2.9Å; S85-E87 PolarHBondContact OG-N 3.2Å; S85-E87 PolarHBondContact OG-OE2 3.17Å; S85-T88 PolarHBondContact N-OG1 2.8Å; S85-T88 PolarHBondContact O-N 3.45Å; S85-T88 PolarHBondContact O-OG1 2.72Å; S85-T88 PolarHBondContact OG-N 3.07Å; S85-T88 PolarHBondContact OG-OG1 2.83Å; S85-V89 WeakPolarHBondContact O-CB 3.38Å; S85-V89 PolarHBondContact O-N 2.7Å
86	S	95.5	Very high	96.4	Very high	20 Å²	20	40.1 Å²	40.1	14%	0.14	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-36.7	173.1	-57.3	0	0	0	0	113.8	I119 N123 V124	S86-I119 PolarHBondContact OG-O 2.82Å; S86-N123 WeakPolarHBondContact OG-CA 3.26Å; S86-N123 PolarHBondContact OG-OD1 3.19Å; S86-V124 PolarHBondContact N-O 2.98Å
87	E	95.6	Very high	96.4	Very high	144 Å²	144	38.7 Å²	38.7	67%	0.673	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-27.8	-177.6	-53.3	75.4	-163.1	0	0	113.2	S85	S85-E87 WeakPolarHBondContact CB-OE2 3.43Å; S85-E87 PolarHBondContact O-N 2.9Å; S85-E87 PolarHBondContact OG-N 3.2Å; S85-E87 PolarHBondContact OG-OE2 3.17Å
88	T	96.9	Very high	96.3	Very high	67 Å²	67	44.5 Å²	44.5	41%	0.411	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-17.9	-169.8	56.2	0	0	0	0	113.7	S85 D90 A91 S92	S85-T88 PolarHBondContact N-OG1 2.8Å; S85-T88 PolarHBondContact O-N 3.45Å; S85-T88 PolarHBondContact O-OG1 2.72Å; S85-T88 PolarHBondContact OG-N 3.07Å; S85-T88 PolarHBondContact OG-OG1 2.83Å; T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.1Å; T88-A91 PolarHBondContact O-N 3.17Å; T88-S92 WeakPolarHBondContact O-CB 3.46Å; T88-S92 PolarHBondContact O-N 3.19Å
89	V	97.7	Very high	96.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-40.2	-171.6	65.4	0	0	0	0	113.6	V84 S85 S92 H93 A116 I119 K120	V84-V89 HydrophobicContact CB-CB 4.14Å; V84-V89 HydrophobicContact CB-CG2 4.29Å; V84-V89 HydrophobicContact CG2-CG2 4.25Å; S85-V89 WeakPolarHBondContact O-CB 3.38Å; S85-V89 PolarHBondContact O-N 2.7Å; V89-S92 PolarHBondContact O-N 3.21Å; V89-H93 VanDerWaalsContact CG2-CE1 3.47Å; V89-H93 WeakPolarHBondContact CG2-CE1 3.19Å; V89-H93 VanDerWaalsContact O-CB 3.24Å; V89-H93 WeakPolarHBondContact O-CB 3.28Å; V89-H93 VanDerWaalsContact O-CG 3.3Å; V89-H93 PolarHBondContact O-N 3.2Å; V89-A116 HydrophobicContact CG1-CB 4.01Å; V89-A116 HydrophobicContact CG2-CB 3.77Å; V89-I119 HydrophobicContact CB-CG2 4.14Å; V89-I119 HydrophobicContact CG1-CG2 4.17Å; V89-I119 HydrophobicContact CG2-CB 4.47Å; V89-I119 HydrophobicContact CG2-CD1 3.71Å; V89-I119 HydrophobicContact CG2-CG2 4.32Å; V89-K120 HydrophobicContact CG1-CG 4.14Å
90	D	96.9	Very high	96	Very high	82 Å²	82	47 Å²	47	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-64.2	-49.6	-179.6	-69	-20.8	0	0	0	111.8	T88 S92 Q94 K120	T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.1Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 PolarHBondContact O-N 3.4Å; D90-Q94 WeakPolarHBondContact O-CB 3.31Å; D90-Q94 PolarHBondContact O-N 2.96Å; D90-K120 VanDerWaalsContact OD1-CE 3.3Å; D90-K120 WeakPolarHBondContact OD1-CE 3.38Å; D90-K120 IonicContact OD1-NZ 2.81Å; D90-K120 PolarHBondContact OD1-NZ 3.45Å; D90-K120 WeakPolarHBondContact OD2-CE 3.23Å; D90-K120 IonicContact OD2-NZ 2.61Å; D90-K120 PolarHBondContact OD2-NZ 2.95Å
91	A	96.6	Very high	95.8	Very high	67 Å²	67	47.6 Å²	47.6	55%	0.554	25%	0.249	S	C	*	.	H	α-helix	trans	-65	-40.5	-178.9	0	0	0	0	0	110.7	T88 Q94 A95	T88-A91 PolarHBondContact O-N 3.17Å; A91-Q94 PolarHBondContact O-N 3.17Å; A91-A95 WeakPolarHBondContact O-CB 3.3Å; A91-A95 PolarHBondContact O-N 3.12Å
92	S	96.5	Very high	95.4	Very high	16 Å²	16	50.7 Å²	50.7	11%	0.112	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-47.9	179.3	-158.9	0	0	0	0	112	L80 T88 V89 D90 Q94 A95 L96	L80-S92 VanDerWaalsContact CA-OG 3.24Å; L80-S92 WeakPolarHBondContact CA-OG 3.33Å; L80-S92 WeakPolarHBondContact O-CB 3.15Å; L80-S92 PolarHBondContact O-OG 3.24Å; T88-S92 WeakPolarHBondContact O-CB 3.46Å; T88-S92 PolarHBondContact O-N 3.19Å; V89-S92 PolarHBondContact O-N 3.21Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 PolarHBondContact O-N 3.4Å; S92-Q94 PolarHBondContact O-N 2.78Å; S92-A95 PolarHBondContact O-N 2.94Å; S92-L96 PolarHBondContact O-N 2.91Å
93	H	97.3	Very high	95.1	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.032	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-37.7	175.5	-75.6	-171.9	0	0	0	112.1	R81 V89 L96 L97 L112	R81-H93 PolarHBondContact NH1-CE1 3.49Å; R81-H93 PolarHBondContact NH1-NE2 3.18Å; V89-H93 VanDerWaalsContact CG2-CE1 3.47Å; V89-H93 WeakPolarHBondContact CG2-CE1 3.19Å; V89-H93 VanDerWaalsContact O-CB 3.24Å; V89-H93 WeakPolarHBondContact O-CB 3.28Å; V89-H93 VanDerWaalsContact O-CG 3.3Å; V89-H93 PolarHBondContact O-N 3.2Å; H93-L96 PolarHBondContact O-N 3.46Å; H93-L97 WeakPolarHBondContact O-CG 3.5Å; H93-L97 PolarHBondContact O-N 3.16Å; H93-L112 HydrophobicContact CB-CB 4.13Å; H93-L112 HydrophobicContact CB-CD1 3.9Å; H93-L112 HydrophobicContact CB-CG 4.47Å; H93-L112 PolarHBondContact CE1-O 3.41Å; H93-L112 PolarHBondContact ND1-O 3.42Å
94	Q	95.5	Very high	94.8	Very high	128 Å²	128	52.2 Å²	52.2	60%	0.598	31%	0.307	S	S	*	.	H	α-helix	trans	-63.6	-41.7	174.8	-178.3	176.9	-9.7	0	0	111.8	D90 A91 S92 L97	D90-Q94 WeakPolarHBondContact O-CB 3.31Å; D90-Q94 PolarHBondContact O-N 2.96Å; A91-Q94 PolarHBondContact O-N 3.17Å; S92-Q94 PolarHBondContact O-N 2.78Å; Q94-L97 PolarHBondContact O-N 2.76Å
95	A	94.8	Very high	94.5	Very high	28 Å²	28	55.3 Å²	55.3	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-40.9	174.4	0	0	0	0	0	111.5	L80 A91 S92 L97 Q98 Y99	L80-A95 HydrophobicContact CD1-CB 4.34Å; L80-A95 HydrophobicContact CD2-CB 3.9Å; A91-A95 WeakPolarHBondContact O-CB 3.3Å; A91-A95 PolarHBondContact O-N 3.12Å; S92-A95 PolarHBondContact O-N 2.94Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 2.75Å; A95-Q98 WeakPolarHBondContact O-CB 3.48Å; A95-Q98 PolarHBondContact O-N 3.3Å; A95-Y99 WeakPolarHBondContact O-CD2 3.49Å
96	L	95.4	Very high	94.4	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-40.9	175.9	-173.9	64.1	0	0	0	112.4	F77 L80 R81 S92 H93 Q98 Y99 L112 L177	F77-L96 HydrophobicContact CB-CD1 4.05Å; F77-L96 HydrophobicContact CD1-CD1 4.07Å; F77-L96 HydrophobicContact CG-CD1 4.27Å; L80-L96 HydrophobicContact CB-CB 4.24Å; L80-L96 HydrophobicContact CB-CD1 4.32Å; R81-L96 HydrophobicContact CB-CD2 3.98Å; R81-L96 HydrophobicContact CG-CD2 4.25Å; S92-L96 PolarHBondContact O-N 2.91Å; H93-L96 PolarHBondContact O-N 3.46Å; L96-Q98 PolarHBondContact O-N 2.94Å; L96-Q98 VanDerWaalsContact O-N 3.15Å; L96-Y99 PolarHBondContact O-N 3.1Å; L96-L112 HydrophobicContact CD2-CD1 4.47Å; L96-L112 HydrophobicContact CD2-CD2 4.34Å; L96-L177 HydrophobicContact CD1-CD2 3.82Å
97	L	94.6	Very high	94.3	Very high	30 Å²	30	66.5 Å²	66.5	16%	0.157	37%	0.373	C	S	.	.	H	α-helix	trans	-58.6	-27.1	179.4	-76.3	170.6	0	0	0	113.6	H93 Q94 A95 Y99 I100 M108 K109 L112	H93-L97 WeakPolarHBondContact O-CG 3.5Å; H93-L97 PolarHBondContact O-N 3.16Å; Q94-L97 PolarHBondContact O-N 2.76Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 2.75Å; L97-Y99 PolarHBondContact O-N 3.11Å; L97-I100 HydrophobicContact CD2-CG1 4.41Å; L97-I100 PolarHBondContact O-N 3.32Å; L97-M108 HydrophobicContact CD2-CB 3.96Å; L97-M108 HydrophobicContact CD2-CG 3.82Å; L97-K109 HydrophobicContact CD1-CB 4.19Å; L97-K109 HydrophobicContact CD1-CG 4.17Å; L97-K109 HydrophobicContact CD2-CB 4.27Å; L97-L112 HydrophobicContact CD1-CD1 4.14Å; L97-L112 HydrophobicContact CD2-CD1 3.67Å; L97-L112 HydrophobicContact CG-CD1 3.57Å
98	Q	93	Very high	94.2	Very high	124 Å²	124	61.9 Å²	61.9	58%	0.579	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.4	177.2	-60.6	177.9	-9.7	0	0	112.6	A95 L96	A95-Q98 WeakPolarHBondContact O-CB 3.48Å; A95-Q98 PolarHBondContact O-N 3.3Å; L96-Q98 PolarHBondContact O-N 2.94Å; L96-Q98 VanDerWaalsContact O-N 3.15Å
99	Y	94.1	Very high	94.1	Very high	85 Å²	85	65 Å²	65	33%	0.333	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	3	-180	-59.2	-82.4	0	0	0	113.2	M73 F77 A95 L96 L97 W176 L177	M73-Y99 HydrophobicContact CE-CD1 4.21Å; M73-Y99 HydrophobicContact CE-CE1 4.1Å; F77-Y99 HydrophobicContact CD1-CD2 4.36Å; F77-Y99 HydrophobicContact CD1-CG 4.4Å; F77-Y99 AromaticContact CE1-CD1 3.74Å; F77-Y99 HydrophobicContact CE1-CD1 3.74Å; F77-Y99 AromaticContact CE1-CD2 3.59Å; F77-Y99 HydrophobicContact CE1-CD2 3.59Å; F77-Y99 HydrophobicContact CE1-CE1 4.3Å; F77-Y99 HydrophobicContact CE1-CE2 4.18Å; F77-Y99 AromaticContact CE1-CG 3.34Å; F77-Y99 HydrophobicContact CE1-CG 3.34Å; F77-Y99 AromaticContact CZ-CD1 3.78Å; F77-Y99 HydrophobicContact CZ-CD1 3.78Å; F77-Y99 HydrophobicContact CZ-CD2 4.38Å; F77-Y99 AromaticContact CZ-CG 3.68Å; F77-Y99 HydrophobicContact CZ-CG 3.68Å; A95-Y99 WeakPolarHBondContact O-CD2 3.49Å; L96-Y99 PolarHBondContact O-N 3.1Å; L97-Y99 PolarHBondContact O-N 3.11Å; Y99-W176 CarbonylContact O-C 3.59Å; Y99-W176 WeakPolarHBondContact O-CA 3.33Å; Y99-L177 PolarHBondContact O-N 3.04Å
100	I	94	Very high	94.1	Very high	6 Å²	6	69.5 Å²	69.5	3%	0.031	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-89	139	172.3	-55	-57.9	0	0	0	108.8	L97 A104 Q105 M108 W176 L177	L97-I100 HydrophobicContact CD2-CG1 4.41Å; L97-I100 PolarHBondContact O-N 3.32Å; I100-A104 HydrophobicContact CG2-CB 3.93Å; I100-Q105 HydrophobicContact CB-CG 3.95Å; I100-Q105 HydrophobicContact CG2-CG 4.07Å; I100-Q105 WeakPolarHBondContact O-CG 3.38Å; I100-Q105 PolarHBondContact O-NE2 2.86Å; I100-M108 HydrophobicContact CD1-CG 4.33Å; I100-M108 HydrophobicContact CG1-CB 4.45Å; I100-M108 HydrophobicContact CG1-CG 3.99Å; I100-M108 HydrophobicContact CG2-CB 4.15Å; I100-W176 WeakPolarHBondContact O-CZ3 3.49Å; I100-L177 HydrophobicContact CD1-CB 4.01Å; I100-L177 HydrophobicContact CD1-CD2 3.87Å; I100-L177 HydrophobicContact CD1-CG 4.09Å
101	R	90.8	Very high	94	Very high	55 Å²	55	68.9 Å²	68.9	21%	0.208	38%	0.383	C	S	.	.			trans	-57.8	141.7	177.7	-70.8	-174.2	178.8	-100.4	-1.1	111.2	G103 A104 Q105 K169 E171 W176 D178	R101-G103 PolarHBondContact O-N 3.35Å; R101-A104 PolarHBondContact O-N 3.33Å; R101-Q105 WeakPolarHBondContact O-CG 3.42Å; R101-Q105 PolarHBondContact O-N 3.27Å; R101-K169 VanDerWaalsContact NH2-CB 3.34Å; R101-E171 IonicContact CZ-OE1 3.39Å; R101-E171 IonicContact CZ-OE2 3.53Å; R101-E171 VanDerWaalsContact NH1-CD 3.26Å; R101-E171 IonicContact NH1-OE1 3.2Å; R101-E171 PolarHBondContact NH1-OE1 2.93Å; R101-E171 IonicContact NH1-OE2 2.72Å; R101-E171 PolarHBondContact NH1-OE2 2.85Å; R101-E171 IonicContact NH2-OE1 2.7Å; R101-E171 PolarHBondContact NH2-OE1 3.47Å; R101-E171 IonicContact NH2-OE2 3.45Å; R101-E171 PolarHBondContact NH2-OE2 3.29Å; R101-W176 HydrophobicContact CG-CB 3.83Å; R101-W176 HydrophobicContact CG-CD2 4.1Å; R101-W176 HydrophobicContact CG-CE3 4.4Å; R101-W176 HydrophobicContact CG-CG 3.85Å; R101-D178 IonicContact NE-OD1 3.03Å; R101-D178 PolarHBondContact NE-OD1 3.11Å
102	P	88.1	Confident	94	Very high	90 Å²	90	65.9 Å²	65.9	58%	0.584	36%	0.358	S	S	*	.	H	α-helix	trans	-50.9	-38.4	-179.4	-29.6	35.3	0	0	0	114.4	A104 Q105	P102-A104 VanDerWaalsContact C-N 3.28Å; P102-A104 PolarHBondContact O-N 3.4Å; P102-Q105 PolarHBondContact O-N 2.81Å
103	G	90.7	Very high	93.9	Very high	85 Å²	85	67.6 Å²	67.6	88%	0.876	37%	0.373	S	S	*	.	H	α-helix	trans	-65.9	-23.7	178	0	0	0	0	0	115.1	R101	R101-G103 PolarHBondContact O-N 3.35Å
104	A	92.5	Very high	93.9	Very high	40 Å²	40	72.1 Å²	72.1	33%	0.331	39%	0.394	S	S	.	.	H	α-helix	trans	-106.8	-9.2	-179.7	0	0	0	0	0	113.4	I100 R101 P102 N106 Q107 M108	I100-A104 HydrophobicContact CG2-CB 3.93Å; R101-A104 PolarHBondContact O-N 3.33Å; P102-A104 VanDerWaalsContact C-N 3.28Å; P102-A104 PolarHBondContact O-N 3.4Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 2.77Å; A104-Q107 PolarHBondContact O-N 3.3Å; A104-M108 PolarHBondContact O-N 3.44Å
105	Q	91.9	Very high	93.9	Very high	67 Å²	67	69.4 Å²	69.4	31%	0.313	38%	0.382	S	S	.	.	H	α-helix	trans	-58.1	-42	-175.9	-85	-179.5	27.2	0	0	113.1	I100 R101 P102 Q107 M108 K109	I100-Q105 HydrophobicContact CB-CG 3.95Å; I100-Q105 HydrophobicContact CG2-CG 4.07Å; I100-Q105 WeakPolarHBondContact O-CG 3.38Å; I100-Q105 PolarHBondContact O-NE2 2.86Å; R101-Q105 WeakPolarHBondContact O-CG 3.42Å; R101-Q105 PolarHBondContact O-N 3.27Å; P102-Q105 PolarHBondContact O-N 2.81Å; Q105-Q107 PolarHBondContact O-N 3.25Å; Q105-M108 PolarHBondContact O-N 2.8Å; Q105-K109 VanDerWaalsContact O-CB 3.25Å; Q105-K109 WeakPolarHBondContact O-CB 3.33Å; Q105-K109 PolarHBondContact O-N 3.25Å
106	N	93.6	Very high	94.1	Very high	132 Å²	132	68.3 Å²	68.3	71%	0.706	37%	0.373	S	S	*	.	H	α-helix	trans	-63.1	-44.8	-179	-73.7	-19.2	0	0	0	112.1	A104 K109 V110	A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 2.77Å; N106-K109 PolarHBondContact O-N 2.82Å; N106-V110 PolarHBondContact O-N 2.83Å
107	Q	93.9	Very high	94.2	Very high	140 Å²	140	73.6 Å²	73.6	65%	0.654	40%	0.396	S	S	*	.	H	α-helix	trans	-64.8	-47	177.3	-176.3	-178.8	10.1	0	0	110.7	A104 Q105 K109 V110 I111	A104-Q107 PolarHBondContact O-N 3.3Å; Q105-Q107 PolarHBondContact O-N 3.25Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 3.4Å; Q107-V110 PolarHBondContact O-N 3.41Å; Q107-I111 HydrophobicContact CG-CD1 4.31Å; Q107-I111 PolarHBondContact O-N 3.36Å
108	M	94.1	Very high	94.2	Very high	47 Å²	47	80.3 Å²	80.3	23%	0.232	42%	0.419	C	S	.	.	H	α-helix	trans	-61.7	-40.1	178.9	-172.9	56.2	69.7	0	0	111.3	L97 I100 A104 Q105 V110 I111 L112	L97-M108 HydrophobicContact CD2-CB 3.96Å; L97-M108 HydrophobicContact CD2-CG 3.82Å; I100-M108 HydrophobicContact CD1-CG 4.33Å; I100-M108 HydrophobicContact CG1-CB 4.45Å; I100-M108 HydrophobicContact CG1-CG 3.99Å; I100-M108 HydrophobicContact CG2-CB 4.15Å; A104-M108 PolarHBondContact O-N 3.44Å; Q105-M108 PolarHBondContact O-N 2.8Å; M108-V110 VanDerWaalsContact C-N 3.28Å; M108-V110 PolarHBondContact O-N 3.25Å; M108-I111 PolarHBondContact O-N 3.04Å; M108-I111 VanDerWaalsContact O-N 3.12Å; M108-I111 HydrophobicContact SD-CB 4.47Å; M108-L112 HydrophobicContact CG-CD1 3.98Å; M108-L112 HydrophobicContact CG-CD2 4.4Å; M108-L112 HydrophobicContact CG-CG 3.91Å; M108-L112 WeakPolarHBondContact O-CB 3.39Å; M108-L112 VanDerWaalsContact O-CG 3.27Å; M108-L112 WeakPolarHBondContact O-CG 3.26Å; M108-L112 PolarHBondContact O-N 3.35Å; M108-L112 HydrophobicContact SD-CD2 3.91Å; M108-L112 HydrophobicContact SD-CG 3.97Å
109	K	95	Very high	94.4	Very high	133 Å²	133	75.4 Å²	75.4	58%	0.578	40%	0.397	S	S	*	.	H	α-helix	trans	-57.5	-39.1	177.8	-175.1	176.7	-179.6	179.8	0	112.6	L97 Q105 N106 Q107 A113	L97-K109 HydrophobicContact CD1-CB 4.19Å; L97-K109 HydrophobicContact CD1-CG 4.17Å; L97-K109 HydrophobicContact CD2-CB 4.27Å; Q105-K109 VanDerWaalsContact O-CB 3.25Å; Q105-K109 WeakPolarHBondContact O-CB 3.33Å; Q105-K109 PolarHBondContact O-N 3.25Å; N106-K109 PolarHBondContact O-N 2.82Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 3.4Å; K109-A113 WeakPolarHBondContact O-CB 3.3Å; K109-A113 PolarHBondContact O-N 2.8Å
110	V	96.2	Very high	94.5	Very high	95 Å²	95	75.3 Å²	75.3	58%	0.576	40%	0.398	S	S	*	.	H	α-helix	trans	-65.8	-46.6	176	176.6	0	0	0	0	110.8	N106 Q107 M108 A113 E114	N106-V110 PolarHBondContact O-N 2.83Å; Q107-V110 PolarHBondContact O-N 3.41Å; M108-V110 VanDerWaalsContact C-N 3.28Å; M108-V110 PolarHBondContact O-N 3.25Å; V110-A113 PolarHBondContact O-N 3.38Å; V110-E114 PolarHBondContact O-N 3.2Å
111	I	95.4	Very high	94.7	Very high	68 Å²	68	80.5 Å²	80.5	35%	0.349	43%	0.426	S	S	.	.	H	α-helix	trans	-59.8	-50.8	178.8	-63.6	168.5	0	0	0	110.6	Q107 M108 A113 E114 E115	Q107-I111 HydrophobicContact CG-CD1 4.31Å; Q107-I111 PolarHBondContact O-N 3.36Å; M108-I111 PolarHBondContact O-N 3.04Å; M108-I111 VanDerWaalsContact O-N 3.12Å; M108-I111 HydrophobicContact SD-CB 4.47Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.03Å; I111-E114 PolarHBondContact O-N 3.17Å; I111-E115 WeakPolarHBondContact CG2-OE1 2.98Å; I111-E115 PolarHBondContact O-N 3.23Å; I111-E115 VanDerWaalsContact O-N 3.1Å
112	L	95.9	Very high	94.9	Very high	4 Å²	4	82.3 Å²	82.3	2%	0.021	44%	0.439	C	S	.	.	H	α-helix	trans	-62.5	-34.1	179.5	-63.6	-171.1	0	0	0	112.5	H93 L96 L97 M108 A116	H93-L112 HydrophobicContact CB-CB 4.13Å; H93-L112 HydrophobicContact CB-CD1 3.9Å; H93-L112 HydrophobicContact CB-CG 4.47Å; H93-L112 PolarHBondContact CE1-O 3.41Å; H93-L112 PolarHBondContact ND1-O 3.42Å; L96-L112 HydrophobicContact CD2-CD1 4.47Å; L96-L112 HydrophobicContact CD2-CD2 4.34Å; L97-L112 HydrophobicContact CD1-CD1 4.14Å; L97-L112 HydrophobicContact CD2-CD1 3.67Å; L97-L112 HydrophobicContact CG-CD1 3.57Å; M108-L112 HydrophobicContact CG-CD1 3.98Å; M108-L112 HydrophobicContact CG-CD2 4.4Å; M108-L112 HydrophobicContact CG-CG 3.91Å; M108-L112 WeakPolarHBondContact O-CB 3.39Å; M108-L112 VanDerWaalsContact O-CG 3.27Å; M108-L112 WeakPolarHBondContact O-CG 3.26Å; M108-L112 PolarHBondContact O-N 3.35Å; M108-L112 HydrophobicContact SD-CD2 3.91Å; M108-L112 HydrophobicContact SD-CG 3.97Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 3.38Å
113	A	96.3	Very high	95.2	Very high	53 Å²	53	81.9 Å²	81.9	44%	0.438	43%	0.432	S	S	.	.	H	α-helix	trans	-71.1	-42.2	179.2	0	0	0	0	0	112.2	K109 V110 I111 E115 A116 K117	K109-A113 WeakPolarHBondContact O-CB 3.3Å; K109-A113 PolarHBondContact O-N 2.8Å; V110-A113 PolarHBondContact O-N 3.38Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.03Å; A113-E115 VanDerWaalsContact C-N 3.31Å; A113-E115 PolarHBondContact O-N 3.2Å; A113-A116 PolarHBondContact O-N 2.97Å; A113-K117 WeakPolarHBondContact O-CB 3.22Å; A113-K117 PolarHBondContact O-N 3.5Å
114	E	97	Very high	95.5	Very high	101 Å²	101	78.8 Å²	78.8	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-38.8	175.2	-74.3	-57.6	129.7	0	0	111.6	V110 I111 K117 R118	V110-E114 PolarHBondContact O-N 3.2Å; I111-E114 PolarHBondContact O-N 3.17Å; E114-K117 PolarHBondContact O-N 3.42Å; E114-R118 WeakPolarHBondContact O-CG 3.32Å; E114-R118 PolarHBondContact O-N 3.36Å; E114-R118 VanDerWaalsContact O-N 3.09Å
115	E	95.5	Very high	95.7	Very high	71 Å²	71	80.3 Å²	80.3	33%	0.332	40%	0.399	S	S	.	.	H	α-helix	trans	-69.6	-43.3	175	-73.9	-177.7	-141.1	0	0	112.8	R81 I111 A113 K117 R118 I119	R81-E115 IonicContact CZ-OE1 3.92Å; R81-E115 IonicContact CZ-OE2 3.55Å; R81-E115 IonicContact NE-OE2 2.96Å; R81-E115 IonicContact NH1-OE1 2.78Å; R81-E115 IonicContact NH1-OE2 3.05Å; R81-E115 PolarHBondContact NH1-OE2 3.28Å; R81-E115 IonicContact NH2-OE1 2.87Å; R81-E115 PolarHBondContact NH2-OE1 3.38Å; R81-E115 IonicContact NH2-OE2 3.55Å; R81-E115 PolarHBondContact NH2-OE2 3.26Å; I111-E115 WeakPolarHBondContact CG2-OE1 2.98Å; I111-E115 PolarHBondContact O-N 3.23Å; I111-E115 VanDerWaalsContact O-N 3.1Å; A113-E115 VanDerWaalsContact C-N 3.31Å; A113-E115 PolarHBondContact O-N 3.2Å; E115-K117 PolarHBondContact O-N 2.97Å; E115-R118 PolarHBondContact O-N 3.5Å; E115-R118 VanDerWaalsContact O-N 3.17Å; E115-I119 WeakPolarHBondContact O-CB 3.48Å; E115-I119 VanDerWaalsContact O-CG1 3.31Å; E115-I119 WeakPolarHBondContact O-CG1 3.49Å; E115-I119 PolarHBondContact O-N 2.74Å
116	A	97.3	Very high	96	Very high	6 Å²	6	77.8 Å²	77.8	5%	0.05	39%	0.389	C	S	.	.	H	α-helix	trans	-58.6	-39	174.4	0	0	0	0	0	111.7	V89 L112 A113 I119 K120	V89-A116 HydrophobicContact CG1-CB 4.01Å; V89-A116 HydrophobicContact CG2-CB 3.77Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 3.38Å; A113-A116 PolarHBondContact O-N 2.97Å; A116-I119 PolarHBondContact O-N 3.49Å; A116-K120 VanDerWaalsContact O-CG 3.31Å; A116-K120 WeakPolarHBondContact O-CG 3.34Å; A116-K120 PolarHBondContact O-N 2.88Å
117	K	97.6	Very high	96.2	Very high	114 Å²	114	72.4 Å²	72.4	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-45.7	175.5	-175.9	-179.6	177.9	-175.2	0	111.9	A113 E114 E115 K120 N121	A113-K117 WeakPolarHBondContact O-CB 3.22Å; A113-K117 PolarHBondContact O-N 3.5Å; E114-K117 PolarHBondContact O-N 3.42Å; E115-K117 PolarHBondContact O-N 2.97Å; K117-K120 PolarHBondContact O-N 2.79Å; K117-N121 VanDerWaalsContact O-CB 3.32Å; K117-N121 WeakPolarHBondContact O-CB 3.42Å; K117-N121 PolarHBondContact O-N 2.74Å; K117-N121 PolarHBondContact O-ND2 3.42Å; K117-N121 PolarHBondContact O-OD1 3.39Å
118	R	95.8	Very high	96.4	Very high	170 Å²	170	66 Å²	66	64%	0.642	33%	0.332	S	S	*	.	H	α-helix	trans	-61.5	-47.1	175.7	-72.6	173.4	178.2	-103.3	1.9	111.6	E114 E115 K120 N121 D122	E114-R118 WeakPolarHBondContact O-CG 3.32Å; E114-R118 PolarHBondContact O-N 3.36Å; E114-R118 VanDerWaalsContact O-N 3.09Å; E115-R118 PolarHBondContact O-N 3.5Å; E115-R118 VanDerWaalsContact O-N 3.17Å; R118-K120 VanDerWaalsContact C-N 3.3Å; R118-K120 PolarHBondContact O-N 3.34Å; R118-N121 PolarHBondContact O-N 2.91Å; R118-D122 PolarHBondContact O-N 3.5Å
119	I	96.7	Very high	96.5	Very high	21 Å²	21	68.9 Å²	68.9	11%	0.108	34%	0.344	C	S	.	.	H	α-helix	trans	-56.3	-45.5	178.3	-72.8	163.7	0	0	0	110.8	V84 S86 V89 E115 A116 N123 V124	V84-I119 HydrophobicContact CG2-CD1 3.83Å; S86-I119 PolarHBondContact OG-O 2.82Å; V89-I119 HydrophobicContact CB-CG2 4.14Å; V89-I119 HydrophobicContact CG1-CG2 4.17Å; V89-I119 HydrophobicContact CG2-CB 4.47Å; V89-I119 HydrophobicContact CG2-CD1 3.71Å; V89-I119 HydrophobicContact CG2-CG2 4.32Å; E115-I119 WeakPolarHBondContact O-CB 3.48Å; E115-I119 VanDerWaalsContact O-CG1 3.31Å; E115-I119 WeakPolarHBondContact O-CG1 3.49Å; E115-I119 PolarHBondContact O-N 2.74Å; A116-I119 PolarHBondContact O-N 3.49Å; I119-N123 WeakPolarHBondContact O-CA 3.35Å; I119-N123 PolarHBondContact O-N 3.46Å; I119-V124 HydrophobicContact CB-CB 4.34Å; I119-V124 HydrophobicContact CG1-CB 4.3Å; I119-V124 HydrophobicContact CG2-CB 4.2Å; I119-V124 WeakPolarHBondContact CG2-O 3.2Å; I119-V124 PolarHBondContact O-N 3.34Å
120	K	97.2	Very high	96.5	Very high	84 Å²	84	67.7 Å²	67.7	37%	0.365	34%	0.34	S	S	.	.	H	α-helix	trans	-71.1	-41.8	178.7	-70.7	175.9	-174.9	179.8	0	113.8	V89 D90 A116 K117 R118 D122 N123	V89-K120 HydrophobicContact CG1-CG 4.14Å; D90-K120 VanDerWaalsContact OD1-CE 3.3Å; D90-K120 WeakPolarHBondContact OD1-CE 3.38Å; D90-K120 IonicContact OD1-NZ 2.81Å; D90-K120 PolarHBondContact OD1-NZ 3.45Å; D90-K120 WeakPolarHBondContact OD2-CE 3.23Å; D90-K120 IonicContact OD2-NZ 2.61Å; D90-K120 PolarHBondContact OD2-NZ 2.95Å; A116-K120 VanDerWaalsContact O-CG 3.31Å; A116-K120 WeakPolarHBondContact O-CG 3.34Å; A116-K120 PolarHBondContact O-N 2.88Å; K117-K120 PolarHBondContact O-N 2.79Å; R118-K120 VanDerWaalsContact C-N 3.3Å; R118-K120 PolarHBondContact O-N 3.34Å; K120-D122 VanDerWaalsContact C-N 3.33Å; K120-D122 PolarHBondContact O-N 3.02Å; K120-N123 PolarHBondContact O-N 2.96Å
121	N	96.6	Very high	96.4	Very high	114 Å²	114	67.4 Å²	67.4	61%	0.61	34%	0.339	S	S	*	.	H	α-helix	trans	-63.6	-41.5	-177.2	-75.2	-7.2	0	0	0	111.8	K117 R118 N123	K117-N121 VanDerWaalsContact O-CB 3.32Å; K117-N121 WeakPolarHBondContact O-CB 3.42Å; K117-N121 PolarHBondContact O-N 2.74Å; K117-N121 PolarHBondContact O-ND2 3.42Å; K117-N121 PolarHBondContact O-OD1 3.39Å; R118-N121 PolarHBondContact O-N 2.91Å; N121-N123 VanDerWaalsContact C-N 3.34Å
122	D	94.8	Very high	96.3	Very high	93 Å²	93	66.8 Å²	66.8	50%	0.497	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	7	-175.7	-57.2	-30.6	0	0	0	112.3	R118 K120 V124 I152	R118-D122 PolarHBondContact O-N 3.5Å; K120-D122 VanDerWaalsContact C-N 3.33Å; K120-D122 PolarHBondContact O-N 3.02Å; D122-V124 VanDerWaalsContact C-N 3.33Å; D122-V124 HydrophobicContact CB-CG2 3.75Å; D122-V124 PolarHBondContact O-N 3.34Å; D122-I152 HydrophobicContact CB-CG2 4.38Å; D122-I152 WeakPolarHBondContact O-CG2 3.4Å
123	N	95.6	Very high	96.2	Very high	82 Å²	82	68.3 Å²	68.3	44%	0.439	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	54.9	-173.1	-165.7	21.7	0	0	0	112.7	S86 I119 K120 N121 G153	S86-N123 WeakPolarHBondContact OG-CA 3.26Å; S86-N123 PolarHBondContact OG-OD1 3.19Å; I119-N123 WeakPolarHBondContact O-CA 3.35Å; I119-N123 PolarHBondContact O-N 3.46Å; K120-N123 PolarHBondContact O-N 2.96Å; N121-N123 VanDerWaalsContact C-N 3.34Å; N123-G153 PolarHBondContact O-N 2.69Å
124	V	96.7	Very high	96.1	Very high	19 Å²	19	73.3 Å²	73.3	12%	0.115	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.9	-177.3	-173.1	0	0	0	0	109.8	S86 I119 D122 T150 W151 I152	S86-V124 PolarHBondContact N-O 2.98Å; I119-V124 HydrophobicContact CB-CB 4.34Å; I119-V124 HydrophobicContact CG1-CB 4.3Å; I119-V124 HydrophobicContact CG2-CB 4.2Å; I119-V124 WeakPolarHBondContact CG2-O 3.2Å; I119-V124 PolarHBondContact O-N 3.34Å; D122-V124 VanDerWaalsContact C-N 3.33Å; D122-V124 HydrophobicContact CB-CG2 3.75Å; D122-V124 PolarHBondContact O-N 3.34Å; V124-T150 HydrophobicContact CG1-CG2 3.52Å; V124-W151 CarbonylContact C-O 3.58Å; V124-W151 VanDerWaalsContact CA-O 3.28Å; V124-W151 WeakPolarHBondContact CA-O 3.45Å; V124-I152 HydrophobicContact CG2-CG1 4.47Å
125	N	97.1	Very high	95.9	Very high	73 Å²	73	69.8 Å²	69.8	39%	0.39	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.2	162.8	-177.4	9.8	0	0	0	107.7	V84 T150 W151	V84-N125 PolarHBondContact O-OD1 3.46Å; N125-T150 CarbonylContact O-C 3.58Å; N125-T150 WeakPolarHBondContact O-CA 3.31Å; N125-W151 HydrophobicContact CB-CB 4.26Å; N125-W151 HydrophobicContact CB-CE3 4.49Å; N125-W151 PolarHBondContact N-O 3.46Å; N125-W151 PolarHBondContact O-N 3.38Å
126	S	97.6	Very high	95.8	Very high	13 Å²	13	69.3 Å²	69.3	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.5	178	60.5	0	0	0	0	111.7	L82 N83 V84 K149	L82-S126 CarbonylContact O-C 3.59Å; L82-S126 VanDerWaalsContact O-C 3.29Å; L82-S126 WeakPolarHBondContact O-CB 3.31Å; L82-S126 VanDerWaalsContact O-O 3.13Å; L82-S126 PolarHBondContact O-OG 2.79Å; N83-S126 CarbonylContact C-O 3.57Å; N83-S126 WeakPolarHBondContact CA-O 3.48Å; V84-S126 PolarHBondContact N-O 2.89Å; V84-S126 PolarHBondContact O-N 2.82Å; S126-K149 CarbonylContact C-O 3.53Å; S126-K149 WeakPolarHBondContact CA-O 3.3Å
127	A	97.3	Very high	95.4	Very high	19 Å²	19	72 Å²	72	16%	0.157	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.9	175.5	0	0	0	0	0	109.9	F129 K149 W151	A127-F129 HydrophobicContact CB-CE2 3.67Å; A127-F129 HydrophobicContact CB-CZ 3.84Å; A127-K149 PolarHBondContact N-O 2.92Å; A127-K149 PolarHBondContact O-N 3.31Å; A127-W151 HydrophobicContact CB-CH2 4.18Å; A127-W151 HydrophobicContact CB-CZ3 3.83Å
128	F	97.8	Very high	94.9	Very high	6 Å²	6	73.6 Å²	73.6	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.3	175.1	-178.3	-95.6	0	0	0	110.5	I78 L82 N83 Q130 I144 G146 V147 L148 K162 Y164	I78-F128 HydrophobicContact CD1-CE1 4.42Å; I78-F128 HydrophobicContact CG2-CB 4.35Å; I78-F128 HydrophobicContact CG2-CD1 3.44Å; I78-F128 VanDerWaalsContact CG2-CD1 3.44Å; I78-F128 HydrophobicContact CG2-CE1 3.86Å; I78-F128 HydrophobicContact CG2-CG 4Å; L82-F128 HydrophobicContact CB-CB 3.94Å; L82-F128 HydrophobicContact CD1-CB 4.11Å; L82-F128 HydrophobicContact CD1-CD2 4.06Å; L82-F128 HydrophobicContact CD1-CG 4.09Å; N83-F128 WeakPolarHBondContact OD1-CB 3.24Å; N83-F128 PolarHBondContact OD1-N 3.47Å; F128-Q130 HydrophobicContact CE1-CB 4Å; F128-I144 HydrophobicContact CE1-CG2 3.64Å; F128-I144 HydrophobicContact CZ-CG2 3.93Å; F128-G146 VanDerWaalsContact CZ-CA 3.41Å; F128-V147 WeakPolarHBondContact CA-O 3.14Å; F128-L148 HydrophobicContact CB-CD1 4.13Å; F128-L148 HydrophobicContact CD2-CB 4.23Å; F128-K162 HydrophobicContact CE2-CB 4.14Å; F128-Y164 HydrophobicContact CD2-CE2 4.02Å; F128-Y164 AromaticContact CE2-CD2 3.91Å; F128-Y164 HydrophobicContact CE2-CD2 3.91Å; F128-Y164 AromaticContact CE2-CE2 3.66Å; F128-Y164 HydrophobicContact CE2-CE2 3.66Å; F128-Y164 HydrophobicContact CZ-CD2 4.05Å; F128-Y164 HydrophobicContact CZ-CE2 4.27Å
129	F	96.8	Very high	94.7	Very high	108 Å²	108	73 Å²	73	47%	0.474	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	108	177.5	-59.3	-85	0	0	0	109.2	A127 G146 V147 K149	A127-F129 HydrophobicContact CB-CE2 3.67Å; A127-F129 HydrophobicContact CB-CZ 3.84Å; F129-G146 CarbonylContact O-C 3.58Å; F129-G146 WeakPolarHBondContact O-CA 3.41Å; F129-V147 PolarHBondContact N-O 3.05Å; F129-V147 PolarHBondContact O-N 3.45Å; F129-K149 HydrophobicContact CD2-CD 4.43Å; F129-K149 HydrophobicContact CD2-CG 4.38Å; F129-K149 HydrophobicContact CE2-CB 4.4Å; F129-K149 HydrophobicContact CE2-CD 3.96Å; F129-K149 HydrophobicContact CE2-CG 4.19Å
130	Q	94.4	Very high	94.5	Very high	107 Å²	107	72.4 Å²	72.4	50%	0.5	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	139.9	179.1	73	-77.1	5.8	0	0	111.6	L75 F128 V133 I144	L75-Q130 HydrophobicContact CD2-CB 4.17Å; L75-Q130 HydrophobicContact CD2-CG 3.9Å; F128-Q130 HydrophobicContact CE1-CB 4Å; Q130-V133 HydrophobicContact CG-CG2 4.45Å; Q130-I144 HydrophobicContact CB-CG2 4.01Å
131	T	94.5	Very high	94.4	Very high	90 Å²	90	72.5 Å²	72.5	55%	0.552	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	-28.3	175.7	60.4	0	0	0	0	112	R145 V147	T131-R145 PolarHBondContact N-O 3.3Å; T131-R145 PolarHBondContact OG1-O 3Å; T131-V147 HydrophobicContact CG2-CG2 4.32Å
132	S	93.9	Very high	94.3	Very high	54 Å²	54	67 Å²	67	38%	0.378	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.9	177.2	-168.8	0	0	0	0	110.1	I144 R145	S132-I144 WeakPolarHBondContact O-CA 3.44Å; S132-R145 PolarHBondContact N-O 2.88Å; S132-R145 VanDerWaalsContact N-O 3.09Å; S132-R145 PolarHBondContact O-N 3.36Å
133	V	93.8	Very high	94.4	Very high	37 Å²	37	63.8 Å²	63.8	22%	0.224	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130	172.3	-174.2	0	0	0	0	108.6	Q71 L75 Q130 V135 V142 E143 I144	Q71-V133 HydrophobicContact CB-CG1 4.47Å; Q71-V133 HydrophobicContact CG-CB 4.47Å; Q71-V133 HydrophobicContact CG-CG1 3.83Å; L75-V133 HydrophobicContact CD2-CG2 3.98Å; Q130-V133 HydrophobicContact CG-CG2 4.45Å; V133-V135 HydrophobicContact CG1-CG2 4.28Å; V133-V142 HydrophobicContact CG1-CG1 3.71Å; V133-E143 CarbonylContact C-O 3.6Å; V133-E143 VanDerWaalsContact CA-O 3.32Å; V133-E143 WeakPolarHBondContact CA-O 3.42Å; V133-I144 HydrophobicContact CG1-CG1 4.03Å; V133-I144 HydrophobicContact CG2-CG1 4.3Å; V133-I144 HydrophobicContact CG2-CG2 4.22Å
134	R	94	Very high	94.5	Very high	157 Å²	157	59.9 Å²	59.9	59%	0.592	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.3	175.1	-172.4	176.4	-71.3	-171.8	1	109.3	W136 V142 E143	R134-W136 HydrophobicContact CB-CH2 3.63Å; R134-W136 HydrophobicContact CB-CZ2 4.31Å; R134-W136 HydrophobicContact CB-CZ3 4.04Å; R134-W136 HydrophobicContact CG-CH2 3.36Å; R134-W136 HydrophobicContact CG-CZ2 3.52Å; R134-W136 HydrophobicContact CG-CZ3 3.96Å; R134-W136 VanDerWaalsContact O-CZ3 3.24Å; R134-W136 WeakPolarHBondContact O-CZ3 3.28Å; R134-V142 CarbonylContact O-C 3.6Å; R134-V142 WeakPolarHBondContact O-CA 3.34Å; R134-E143 HydrophobicContact CB-CB 4.37Å; R134-E143 PolarHBondContact N-O 2.97Å; R134-E143 PolarHBondContact O-N 2.69Å
135	V	93.1	Very high	94.5	Very high	27 Å²	27	65.3 Å²	65.3	16%	0.164	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.2	-174.8	-175.4	0	0	0	0	109.9	A67 L70 Q71 V133 P137 V142	A67-V135 HydrophobicContact CB-CB 4.17Å; A67-V135 HydrophobicContact CB-CG1 4.04Å; L70-V135 HydrophobicContact CB-CG1 3.87Å; L70-V135 HydrophobicContact CD1-CG1 4.06Å; Q71-V135 HydrophobicContact CB-CG2 3.8Å; V133-V135 HydrophobicContact CG1-CG2 4.28Å; V135-P137 HydrophobicContact CG1-CG 4.12Å; V135-P137 WeakPolarHBondContact O-CD 3.35Å; V135-V142 HydrophobicContact CG1-CG2 4.15Å; V135-V142 HydrophobicContact CG2-CG1 4.05Å; V135-V142 HydrophobicContact CG2-CG2 4.29Å
136	W	93.6	Very high	94.5	Very high	62 Å²	62	61.9 Å²	61.9	24%	0.235	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	90.6	168.6	-59.2	-97.3	0	0	0	109	R134 Q138 Y139 G140 R141 E143	R134-W136 HydrophobicContact CB-CH2 3.63Å; R134-W136 HydrophobicContact CB-CZ2 4.31Å; R134-W136 HydrophobicContact CB-CZ3 4.04Å; R134-W136 HydrophobicContact CG-CH2 3.36Å; R134-W136 HydrophobicContact CG-CZ2 3.52Å; R134-W136 HydrophobicContact CG-CZ3 3.96Å; R134-W136 VanDerWaalsContact O-CZ3 3.24Å; R134-W136 WeakPolarHBondContact O-CZ3 3.28Å; W136-Q138 PolarHBondContact O-N 3.29Å; W136-Y139 HydrophobicContact CB-CD2 3.87Å; W136-Y139 HydrophobicContact CG-CD2 4.38Å; W136-Y139 PolarHBondContact O-N 2.97Å; W136-G140 PolarHBondContact O-N 3.46Å; W136-G140 VanDerWaalsContact O-N 3.1Å; W136-R141 HydrophobicContact CB-CB 4.29Å; W136-R141 HydrophobicContact CD2-CG 4.47Å; W136-R141 HydrophobicContact CE3-CB 3.97Å; W136-R141 HydrophobicContact CE3-CG 3.61Å; W136-R141 HydrophobicContact CZ3-CG 4.05Å; W136-R141 PolarHBondContact N-O 2.79Å; W136-R141 PolarHBondContact O-N 3.23Å; W136-E143 HydrophobicContact CH2-CB 3.66Å; W136-E143 HydrophobicContact CH2-CG 3.57Å; W136-E143 WeakPolarHBondContact CH2-OE1 3.39Å; W136-E143 WeakPolarHBondContact CH2-OE2 3.33Å; W136-E143 HydrophobicContact CZ3-CB 3.5Å; W136-E143 HydrophobicContact CZ3-CG 3.43Å; W136-E143 VanDerWaalsContact CZ3-CG 3.43Å; W136-E143 WeakPolarHBondContact CZ3-OE1 3.23Å
137	P	88.9	Confident	94.4	Very high	62 Å²	62	63 Å²	63	40%	0.403	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.1	-35.6	-176.5	-24.8	34.5	0	0	0	113.2	A67 L70 V135 Y139 G140	A67-P137 HydrophobicContact CB-CG 3.71Å; L70-P137 HydrophobicContact CD1-CB 4.14Å; V135-P137 HydrophobicContact CG1-CG 4.12Å; V135-P137 WeakPolarHBondContact O-CD 3.35Å; P137-Y139 PolarHBondContact O-N 3.47Å; P137-G140 PolarHBondContact O-N 3.05Å
138	Q	87.8	Confident	94.5	Very high	148 Å²	148	63 Å²	63	69%	0.692	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-61.1	-24.2	179.5	69.7	-167.8	25.1	0	0	114.1	W136	W136-Q138 PolarHBondContact O-N 3.29Å
139	Y	90	Very high	94.5	Very high	157 Å²	157	66.3 Å²	66.3	62%	0.616	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-112.8	-1.5	179.2	-55.2	-55	0	0	0	112.8	W136 P137 R141	W136-Y139 HydrophobicContact CB-CD2 3.87Å; W136-Y139 HydrophobicContact CG-CD2 4.38Å; W136-Y139 PolarHBondContact O-N 2.97Å; P137-Y139 PolarHBondContact O-N 3.47Å; Y139-R141 PolarHBondContact O-N 3.33Å
140	G	92.4	Very high	94.5	Very high	8 Å²	8	62.3 Å²	62.3	8%	0.082	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	22.1	-169	0	0	0	0	0	113.4	W136 P137 L168	W136-G140 PolarHBondContact O-N 3.46Å; W136-G140 VanDerWaalsContact O-N 3.1Å; P137-G140 PolarHBondContact O-N 3.05Å; G140-L168 WeakPolarHBondContact CA-O 3.46Å; G140-L168 PolarHBondContact O-N 3.49Å
141	R	95.2	Very high	94.7	Very high	86 Å²	86	60.5 Å²	60.5	33%	0.325	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.9	-176	177.4	-176	174.5	151.6	0.7	110.1	W136 Y139 E143 I165 L166 I167	W136-R141 HydrophobicContact CB-CB 4.29Å; W136-R141 HydrophobicContact CD2-CG 4.47Å; W136-R141 HydrophobicContact CE3-CB 3.97Å; W136-R141 HydrophobicContact CE3-CG 3.61Å; W136-R141 HydrophobicContact CZ3-CG 4.05Å; W136-R141 PolarHBondContact N-O 2.79Å; W136-R141 PolarHBondContact O-N 3.23Å; Y139-R141 PolarHBondContact O-N 3.33Å; R141-E143 IonicContact CZ-OE1 2.67Å; R141-E143 IonicContact NE-OE1 2.83Å; R141-E143 PolarHBondContact NE-OE1 3.5Å; R141-E143 IonicContact NH2-OE1 3.84Å; R141-E143 PolarHBondContact NH2-OE1 2.84Å; R141-I165 HydrophobicContact CG-CG2 3.93Å; R141-L166 CarbonylContact C-O 3.55Å; R141-L166 WeakPolarHBondContact CA-O 3.37Å; R141-I167 HydrophobicContact CB-CD1 3.74Å; R141-I167 HydrophobicContact CG-CD1 3.82Å
142	V	96	Very high	94.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.4	171.4	-171.8	0	0	0	0	109.1	L70 A74 V133 R134 V135 I144 L166 L168	L70-V142 HydrophobicContact CB-CG2 4.03Å; A74-V142 HydrophobicContact CB-CB 3.63Å; A74-V142 HydrophobicContact CB-CG1 3.55Å; A74-V142 HydrophobicContact CB-CG2 3.8Å; V133-V142 HydrophobicContact CG1-CG1 3.71Å; R134-V142 CarbonylContact O-C 3.6Å; R134-V142 WeakPolarHBondContact O-CA 3.34Å; V135-V142 HydrophobicContact CG1-CG2 4.15Å; V135-V142 HydrophobicContact CG2-CG1 4.05Å; V135-V142 HydrophobicContact CG2-CG2 4.29Å; V142-I144 HydrophobicContact CG1-CD1 4.03Å; V142-I144 HydrophobicContact CG1-CG1 3.85Å; V142-L166 PolarHBondContact N-O 2.86Å; V142-L166 PolarHBondContact O-N 3.4Å; V142-L168 HydrophobicContact CG2-CD1 4.3Å
143	E	96.5	Very high	94.6	Very high	25 Å²	25	58.3 Å²	58.3	12%	0.117	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.1	172.8	-85	169.9	-140.9	0	0	109.3	V133 R134 W136 R141 H163 Y164 I165	V133-E143 CarbonylContact C-O 3.6Å; V133-E143 VanDerWaalsContact CA-O 3.32Å; V133-E143 WeakPolarHBondContact CA-O 3.42Å; R134-E143 HydrophobicContact CB-CB 4.37Å; R134-E143 PolarHBondContact N-O 2.97Å; R134-E143 PolarHBondContact O-N 2.69Å; W136-E143 HydrophobicContact CH2-CB 3.66Å; W136-E143 HydrophobicContact CH2-CG 3.57Å; W136-E143 WeakPolarHBondContact CH2-OE1 3.39Å; W136-E143 WeakPolarHBondContact CH2-OE2 3.33Å; W136-E143 HydrophobicContact CZ3-CB 3.5Å; W136-E143 HydrophobicContact CZ3-CG 3.43Å; W136-E143 VanDerWaalsContact CZ3-CG 3.43Å; W136-E143 WeakPolarHBondContact CZ3-OE1 3.23Å; R141-E143 IonicContact CZ-OE1 2.67Å; R141-E143 IonicContact NE-OE1 2.83Å; R141-E143 PolarHBondContact NE-OE1 3.5Å; R141-E143 IonicContact NH2-OE1 3.84Å; R141-E143 PolarHBondContact NH2-OE1 2.84Å; E143-H163 WeakPolarHBondContact CB-NE2 3.36Å; E143-H163 WeakPolarHBondContact CG-NE2 3.32Å; E143-H163 IonicContact OE2-CE1 3.6Å; E143-H163 IonicContact OE2-NE2 3.73Å; E143-Y164 CarbonylContact C-O 3.51Å; E143-Y164 WeakPolarHBondContact CA-O 3.25Å; E143-I165 HydrophobicContact CG-CG1 3.96Å
144	I	96.8	Very high	94.4	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.5	-178.7	-54.8	178.5	0	0	0	108	A74 L75 I78 F128 Q130 S132 V133 V142 Y164	A74-I144 HydrophobicContact CB-CD1 3.68Å; L75-I144 HydrophobicContact CD2-CD1 4.16Å; L75-I144 HydrophobicContact CD2-CG2 4.48Å; L75-I144 HydrophobicContact CG-CD1 4.45Å; I78-I144 HydrophobicContact CD1-CB 3.55Å; I78-I144 HydrophobicContact CD1-CD1 3.35Å; I78-I144 HydrophobicContact CD1-CG1 3.9Å; I78-I144 HydrophobicContact CD1-CG2 3.78Å; I78-I144 HydrophobicContact CG1-CD1 4.06Å; F128-I144 HydrophobicContact CE1-CG2 3.64Å; F128-I144 HydrophobicContact CZ-CG2 3.93Å; Q130-I144 HydrophobicContact CB-CG2 4.01Å; S132-I144 WeakPolarHBondContact O-CA 3.44Å; V133-I144 HydrophobicContact CG1-CG1 4.03Å; V133-I144 HydrophobicContact CG2-CG1 4.3Å; V133-I144 HydrophobicContact CG2-CG2 4.22Å; V142-I144 HydrophobicContact CG1-CD1 4.03Å; V142-I144 HydrophobicContact CG1-CG1 3.85Å; I144-Y164 PolarHBondContact N-O 3.04Å; I144-Y164 PolarHBondContact O-N 2.96Å
145	R	96.6	Very high	94.3	Very high	132 Å²	132	60.7 Å²	60.7	50%	0.498	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.6	172.3	-168	175.7	69.1	-161	3.7	109.4	T131 S132 I161 K162	T131-R145 PolarHBondContact N-O 3.3Å; T131-R145 PolarHBondContact OG1-O 3Å; S132-R145 PolarHBondContact N-O 2.88Å; S132-R145 VanDerWaalsContact N-O 3.09Å; S132-R145 PolarHBondContact O-N 3.36Å; R145-I161 HydrophobicContact CG-CG2 4.48Å; R145-K162 WeakPolarHBondContact CA-O 3.34Å
146	G	96.6	Very high	94.4	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	-173.9	-180	0	0	0	0	0	113.3	F128 F129 K162	F128-G146 VanDerWaalsContact CZ-CA 3.41Å; F129-G146 CarbonylContact O-C 3.58Å; F129-G146 WeakPolarHBondContact O-CA 3.41Å; G146-K162 PolarHBondContact N-O 3.24Å; G146-K162 PolarHBondContact O-N 2.81Å
147	V	97.3	Very high	94.5	Very high	38 Å²	38	67.5 Å²	67.5	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.2	177.9	-179.8	0	0	0	0	108	F128 F129 T131 K149 T159 D160	F128-V147 WeakPolarHBondContact CA-O 3.14Å; F129-V147 PolarHBondContact N-O 3.05Å; F129-V147 PolarHBondContact O-N 3.45Å; T131-V147 HydrophobicContact CG2-CG2 4.32Å; V147-K149 HydrophobicContact CG1-CG 4.35Å; V147-T159 HydrophobicContact CG1-CG2 3.39Å; V147-D160 CarbonylContact C-O 3.56Å; V147-D160 WeakPolarHBondContact CA-O 3.37Å
148	L	97.8	Very high	94.8	Very high	18 Å²	18	70.2 Å²	70.2	9%	0.094	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.5	170.2	-177	63.7	0	0	0	108.5	L82 F128 T159 D160 K162	L82-L148 HydrophobicContact CB-CD1 4.29Å; F128-L148 HydrophobicContact CB-CD1 4.13Å; F128-L148 HydrophobicContact CD2-CB 4.23Å; L148-T159 WeakPolarHBondContact O-CA 3.24Å; L148-D160 PolarHBondContact N-O 3.4Å; L148-D160 PolarHBondContact O-N 3.47Å; L148-K162 HydrophobicContact CB-CG 3.8Å; L148-K162 HydrophobicContact CD2-CG 4.27Å
149	K	98	Very high	95.3	Very high	75 Å²	75	67.1 Å²	67.1	33%	0.326	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.7	169.7	-68	-168.1	175.5	-175.2	0	109.3	S126 A127 F129 V147 W151 P157 F158	S126-K149 CarbonylContact C-O 3.53Å; S126-K149 WeakPolarHBondContact CA-O 3.3Å; A127-K149 PolarHBondContact N-O 2.92Å; A127-K149 PolarHBondContact O-N 3.31Å; F129-K149 HydrophobicContact CD2-CD 4.43Å; F129-K149 HydrophobicContact CD2-CG 4.38Å; F129-K149 HydrophobicContact CE2-CB 4.4Å; F129-K149 HydrophobicContact CE2-CD 3.96Å; F129-K149 HydrophobicContact CE2-CG 4.19Å; V147-K149 HydrophobicContact CG1-CG 4.35Å; K149-W151 HydrophobicContact CB-CE3 4.28Å; K149-W151 HydrophobicContact CB-CH2 3.37Å; K149-W151 HydrophobicContact CB-CZ2 4.09Å; K149-W151 HydrophobicContact CB-CZ3 3.49Å; K149-W151 VanDerWaalsContact CB-CZ3 3.49Å; K149-W151 HydrophobicContact CD-CH2 3.86Å; K149-W151 HydrophobicContact CD-CZ2 4.09Å; K149-W151 HydrophobicContact CG-CH2 4.26Å; K149-W151 WeakPolarHBondContact O-CZ3 3.14Å; K149-P157 HydrophobicContact CB-CB 4.23Å; K149-F158 WeakPolarHBondContact CA-O 3.33Å
150	T	97.6	Very high	95.6	Very high	25 Å²	25	63.3 Å²	63.3	15%	0.153	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	118.3	-179.5	-59.2	0	0	0	0	110.1	V124 N125 I152 P157 F158	V124-T150 HydrophobicContact CG1-CG2 3.52Å; N125-T150 CarbonylContact O-C 3.58Å; N125-T150 WeakPolarHBondContact O-CA 3.31Å; T150-I152 HydrophobicContact CG2-CG1 4.44Å; T150-P157 CarbonylContact O-C 3.55Å; T150-P157 VanDerWaalsContact O-CA 3.24Å; T150-P157 WeakPolarHBondContact O-CA 3.38Å; T150-F158 PolarHBondContact N-O 3.45Å; T150-F158 PolarHBondContact O-N 3.23Å
151	W	97.4	Very high	95.7	Very high	69 Å²	69	68.1 Å²	68.1	26%	0.261	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.9	173.2	-61.4	-101.9	0	0	0	108.9	V124 N125 A127 K149 P157	V124-W151 CarbonylContact C-O 3.58Å; V124-W151 VanDerWaalsContact CA-O 3.28Å; V124-W151 WeakPolarHBondContact CA-O 3.45Å; N125-W151 HydrophobicContact CB-CB 4.26Å; N125-W151 HydrophobicContact CB-CE3 4.49Å; N125-W151 PolarHBondContact N-O 3.46Å; N125-W151 PolarHBondContact O-N 3.38Å; A127-W151 HydrophobicContact CB-CH2 4.18Å; A127-W151 HydrophobicContact CB-CZ3 3.83Å; K149-W151 HydrophobicContact CB-CE3 4.28Å; K149-W151 HydrophobicContact CB-CH2 3.37Å; K149-W151 HydrophobicContact CB-CZ2 4.09Å; K149-W151 HydrophobicContact CB-CZ3 3.49Å; K149-W151 VanDerWaalsContact CB-CZ3 3.49Å; K149-W151 HydrophobicContact CD-CH2 3.86Å; K149-W151 HydrophobicContact CD-CZ2 4.09Å; K149-W151 HydrophobicContact CG-CH2 4.26Å; K149-W151 WeakPolarHBondContact O-CZ3 3.14Å; W151-P157 HydrophobicContact CD2-CB 3.86Å; W151-P157 HydrophobicContact CG-CB 4.09Å; W151-P157 HydrophobicContact CZ2-CB 3.98Å; W151-P157 HydrophobicContact CZ2-CG 4.08Å
152	I	94.9	Very high	95.8	Very high	68 Å²	68	66.1 Å²	66.1	35%	0.349	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.1	174.4	-57.2	-177.3	0	0	0	106.5	D122 V124 T150 D154 S155 F158	D122-I152 HydrophobicContact CB-CG2 4.38Å; D122-I152 WeakPolarHBondContact O-CG2 3.4Å; V124-I152 HydrophobicContact CG2-CG1 4.47Å; T150-I152 HydrophobicContact CG2-CG1 4.44Å; I152-D154 PolarHBondContact O-N 3.01Å; I152-S155 VanDerWaalsContact O-CB 3.23Å; I152-S155 WeakPolarHBondContact O-CB 3.41Å; I152-S155 PolarHBondContact O-N 3.47Å; I152-S155 PolarHBondContact O-OG 3.32Å; I152-F158 HydrophobicContact CD1-CD2 4.27Å; I152-F158 HydrophobicContact CD1-CE2 3.85Å; I152-F158 HydrophobicContact CG1-CD2 4.45Å; I152-F158 HydrophobicContact CG1-CE2 4.21Å
153	G	92.1	Very high	95.8	Very high	30 Å²	30	67.3 Å²	67.3	31%	0.309	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	-134.4	-166.4	0	0	0	0	0	111.8	N123 S155	N123-G153 PolarHBondContact O-N 2.69Å; G153-S155 VanDerWaalsContact C-N 3.26Å; G153-S155 PolarHBondContact O-N 3.33Å
154	D	90.1	Very high	95.9	Very high	178 Å²	178	66.7 Å²	66.7	95%	0.952	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	14.9	-179	-59.8	-46.2	0	0	0	113.8	I152	I152-D154 PolarHBondContact O-N 3.01Å
155	S	92.2	Very high	95.9	Very high	65 Å²	65	68.1 Å²	68.1	46%	0.455	35%	0.345	S	S	.	.	S	Bend	trans	-72.4	157.6	-178.5	-56.4	0	0	0	0	112.3	I152 G153	I152-S155 VanDerWaalsContact O-CB 3.23Å; I152-S155 WeakPolarHBondContact O-CB 3.41Å; I152-S155 PolarHBondContact O-N 3.47Å; I152-S155 PolarHBondContact O-OG 3.32Å; G153-S155 VanDerWaalsContact C-N 3.26Å; G153-S155 PolarHBondContact O-N 3.33Å
156	K	94.7	Very high	95.9	Very high	189 Å²	189	61.8 Å²	61.8	82%	0.822	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-58.4	145	166.9	-70.8	-176.9	-179.5	177.1	0	109.8	F158	K156-F158 PolarHBondContact O-N 2.83Å
157	P	95.3	Very high	95.9	Very high	44 Å²	44	63.8 Å²	63.8	29%	0.286	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.8	133.8	-178.3	24.5	-30.7	0	0	0	111.8	K149 T150 W151	K149-P157 HydrophobicContact CB-CB 4.23Å; T150-P157 CarbonylContact O-C 3.55Å; T150-P157 VanDerWaalsContact O-CA 3.24Å; T150-P157 WeakPolarHBondContact O-CA 3.38Å; W151-P157 HydrophobicContact CD2-CB 3.86Å; W151-P157 HydrophobicContact CG-CB 4.09Å; W151-P157 HydrophobicContact CZ2-CB 3.98Å; W151-P157 HydrophobicContact CZ2-CG 4.08Å
158	F	96.1	Very high	95.8	Very high	119 Å²	119	62.2 Å²	62.2	52%	0.522	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140.2	158	-58.5	-77.8	0	0	0	108.4	K149 T150 I152 K156	K149-F158 WeakPolarHBondContact CA-O 3.33Å; T150-F158 PolarHBondContact N-O 3.45Å; T150-F158 PolarHBondContact O-N 3.23Å; I152-F158 HydrophobicContact CD1-CD2 4.27Å; I152-F158 HydrophobicContact CD1-CE2 3.85Å; I152-F158 HydrophobicContact CG1-CD2 4.45Å; I152-F158 HydrophobicContact CG1-CE2 4.21Å; K156-F158 PolarHBondContact O-N 2.83Å
159	T	97.2	Very high	95.5	Very high	83 Å²	83	65.5 Å²	65.5	51%	0.509	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	113.5	-174.5	-61.7	0	0	0	0	108.5	V147 L148	V147-T159 HydrophobicContact CG1-CG2 3.39Å; L148-T159 WeakPolarHBondContact O-CA 3.24Å
160	D	96	Very high	94.9	Very high	76 Å²	76	64 Å²	64	41%	0.406	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138	179	-63.8	-33.9	0	0	0	110.2	V147 L148 K162	V147-D160 CarbonylContact C-O 3.56Å; V147-D160 WeakPolarHBondContact CA-O 3.37Å; L148-D160 PolarHBondContact N-O 3.4Å; L148-D160 PolarHBondContact O-N 3.47Å; D160-K162 HydrophobicContact CB-CD 4.25Å; D160-K162 HydrophobicContact CB-CG 4.2Å
161	I	96	Very high	94.3	Very high	109 Å²	109	66.8 Å²	66.8	56%	0.559	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.5	166.5	-59.7	176.4	0	0	0	106.8	R145	R145-I161 HydrophobicContact CG-CG2 4.48Å
162	K	96.2	Very high	93.4	Very high	44 Å²	44	70.4 Å²	70.4	19%	0.191	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142	-176.9	-63.4	-64.5	-168.6	179.9	0	110.5	F128 R145 G146 L148 D160 Y164 E182	F128-K162 HydrophobicContact CE2-CB 4.14Å; R145-K162 WeakPolarHBondContact CA-O 3.34Å; G146-K162 PolarHBondContact N-O 3.24Å; G146-K162 PolarHBondContact O-N 2.81Å; L148-K162 HydrophobicContact CB-CG 3.8Å; L148-K162 HydrophobicContact CD2-CG 4.27Å; D160-K162 HydrophobicContact CB-CD 4.25Å; D160-K162 HydrophobicContact CB-CG 4.2Å; K162-Y164 HydrophobicContact CB-CD2 4.24Å; K162-Y164 HydrophobicContact CB-CE2 3.46Å; K162-Y164 VanDerWaalsContact CB-CE2 3.46Å; K162-Y164 HydrophobicContact CG-CE2 4.25Å; K162-E182 WeakPolarHBondContact CD-OE1 3.22Å; K162-E182 WeakPolarHBondContact CE-OE1 3.35Å; K162-E182 IonicContact NZ-OE1 2.59Å; K162-E182 PolarHBondContact NZ-OE1 3.12Å; K162-E182 IonicContact NZ-OE2 2.7Å
163	H	97	Very high	92.6	Very high	25 Å²	25	68.7 Å²	68.7	12%	0.116	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.6	173.4	-171.8	-168.1	0	0	0	109.3	E143 E182 T183 D185	E143-H163 WeakPolarHBondContact CB-NE2 3.36Å; E143-H163 WeakPolarHBondContact CG-NE2 3.32Å; E143-H163 IonicContact OE2-CE1 3.6Å; E143-H163 IonicContact OE2-NE2 3.73Å; H163-E182 CarbonylContact O-C 3.53Å; H163-E182 WeakPolarHBondContact O-CA 3.41Å; H163-T183 HydrophobicContact CB-CG2 3.83Å; H163-T183 VanDerWaalsContact CG-CG2 3.41Å; H163-T183 WeakPolarHBondContact ND1-CG2 3.5Å; H163-T183 PolarHBondContact O-N 3.01Å; H163-D185 IonicContact CE1-OD2 2.7Å; H163-D185 PolarHBondContact CE1-OD2 3.43Å; H163-D185 IonicContact ND1-OD2 3.32Å; H163-D185 PolarHBondContact ND1-OD2 3.47Å
164	Y	97.4	Very high	92.2	Very high	12 Å²	12	70.4 Å²	70.4	5%	0.047	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.3	-179.2	-63.9	-72.1	0	0	0	111.4	I78 L82 F128 E143 I144 K162 F180 G181 E182	I78-Y164 HydrophobicContact CD1-CD2 4.16Å; I78-Y164 HydrophobicContact CD1-CG 4.33Å; L82-Y164 HydrophobicContact CD1-CD2 4.04Å; L82-Y164 HydrophobicContact CD1-CE1 4.38Å; L82-Y164 HydrophobicContact CD1-CE2 3.32Å; F128-Y164 HydrophobicContact CD2-CE2 4.02Å; F128-Y164 AromaticContact CE2-CD2 3.91Å; F128-Y164 HydrophobicContact CE2-CD2 3.91Å; F128-Y164 AromaticContact CE2-CE2 3.66Å; F128-Y164 HydrophobicContact CE2-CE2 3.66Å; F128-Y164 HydrophobicContact CZ-CD2 4.05Å; F128-Y164 HydrophobicContact CZ-CE2 4.27Å; E143-Y164 CarbonylContact C-O 3.51Å; E143-Y164 WeakPolarHBondContact CA-O 3.25Å; I144-Y164 PolarHBondContact N-O 3.04Å; I144-Y164 PolarHBondContact O-N 2.96Å; K162-Y164 HydrophobicContact CB-CD2 4.24Å; K162-Y164 HydrophobicContact CB-CE2 3.46Å; K162-Y164 VanDerWaalsContact CB-CE2 3.46Å; K162-Y164 HydrophobicContact CG-CE2 4.25Å; Y164-F180 HydrophobicContact CD1-CD1 4.36Å; Y164-F180 AromaticContact CD1-CE1 3.6Å; Y164-F180 HydrophobicContact CD1-CE1 3.6Å; Y164-F180 HydrophobicContact CD1-CZ 4.31Å; Y164-F180 AromaticContact CE1-CE1 3.93Å; Y164-F180 HydrophobicContact CE1-CE1 3.93Å; Y164-F180 HydrophobicContact CG-CE1 4.2Å; Y164-G181 CarbonylContact C-O 3.58Å; Y164-G181 VanDerWaalsContact CA-O 3.26Å; Y164-G181 WeakPolarHBondContact CA-O 3.45Å; Y164-E182 HydrophobicContact CD1-CB 4.03Å; Y164-E182 HydrophobicContact CD1-CG 4.31Å; Y164-E182 HydrophobicContact CE1-CB 3.88Å; Y164-E182 HydrophobicContact CE1-CG 3.97Å
165	I	97.3	Very high	92.2	Very high	30 Å²	30	62.1 Å²	62.1	15%	0.154	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.5	170.4	-55	176.4	0	0	0	107.5	R141 E143 I167 G181 T183	R141-I165 HydrophobicContact CG-CG2 3.93Å; E143-I165 HydrophobicContact CG-CG1 3.96Å; I165-I167 HydrophobicContact CG2-CD1 4.14Å; I165-G181 PolarHBondContact N-O 3.49Å; I165-G181 PolarHBondContact O-N 3.49Å; I165-T183 HydrophobicContact CD1-CG2 3.84Å; I165-T183 HydrophobicContact CG1-CG2 3.85Å
166	L	97.3	Very high	92.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.9	172.6	-81.3	67.6	0	0	0	109.2	A74 F77 I78 R141 V142 L168 L177 N179 F180	A74-L166 HydrophobicContact CB-CB 4.47Å; A74-L166 HydrophobicContact CB-CD2 3.94Å; F77-L166 HydrophobicContact CB-CD2 3.97Å; F77-L166 HydrophobicContact CD2-CD2 4.49Å; I78-L166 HydrophobicContact CD1-CD1 3.89Å; I78-L166 HydrophobicContact CG1-CD1 3.9Å; I78-L166 HydrophobicContact CG1-CD2 3.93Å; R141-L166 CarbonylContact C-O 3.55Å; R141-L166 WeakPolarHBondContact CA-O 3.37Å; V142-L166 PolarHBondContact N-O 2.86Å; V142-L166 PolarHBondContact O-N 3.4Å; L166-L168 HydrophobicContact CB-CD2 4.49Å; L166-L177 HydrophobicContact CB-CD1 4.25Å; L166-L177 HydrophobicContact CD2-CD1 4.05Å; L166-L177 HydrophobicContact CG-CD1 4Å; L166-N179 WeakPolarHBondContact CA-O 3.45Å; L166-F180 HydrophobicContact CD1-CD2 4Å; L166-F180 HydrophobicContact CD1-CE2 4.07Å; L166-F180 HydrophobicContact CD1-CG 4.3Å; L166-F180 HydrophobicContact CD1-CZ 4.41Å; L166-F180 HydrophobicContact CD2-CD2 4.05Å; L166-F180 HydrophobicContact CD2-CE2 4.19Å; L166-F180 HydrophobicContact CG-CD2 3.93Å; L166-F180 HydrophobicContact CG-CE2 4.34Å; L166-F180 HydrophobicContact CG-CG 4.39Å
167	I	96.4	Very high	92.3	Very high	42 Å²	42	52.7 Å²	52.7	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.8	171.1	-54.7	-60.5	0	0	0	108.1	R141 I165 D178 N179	R141-I167 HydrophobicContact CB-CD1 3.74Å; R141-I167 HydrophobicContact CG-CD1 3.82Å; I165-I167 HydrophobicContact CG2-CD1 4.14Å; I167-D178 HydrophobicContact CB-CB 4.44Å; I167-D178 HydrophobicContact CG2-CB 4.23Å; I167-D178 WeakPolarHBondContact O-CB 3.15Å; I167-D178 PolarHBondContact O-N 3.31Å; I167-N179 HydrophobicContact CB-CB 3.83Å; I167-N179 HydrophobicContact CG1-CB 3.85Å; I167-N179 PolarHBondContact N-O 3.3Å; I167-N179 PolarHBondContact O-N 2.98Å
168	L	94.6	Very high	92.2	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.6	-179.8	-54.2	-171.4	0	0	0	109.2	L70 M73 A74 F77 G140 V142 L166 T175 W176 L177	L70-L168 HydrophobicContact CB-CD1 4.4Å; L70-L168 HydrophobicContact CD2-CB 3.98Å; L70-L168 HydrophobicContact CD2-CD1 3.87Å; M73-L168 HydrophobicContact CB-CD1 3.84Å; A74-L168 HydrophobicContact CB-CD1 4.27Å; F77-L168 HydrophobicContact CD2-CD2 3.73Å; F77-L168 HydrophobicContact CE2-CD2 3.62Å; G140-L168 WeakPolarHBondContact CA-O 3.46Å; G140-L168 PolarHBondContact O-N 3.49Å; V142-L168 HydrophobicContact CG2-CD1 4.3Å; L166-L168 HydrophobicContact CB-CD2 4.49Å; L168-T175 HydrophobicContact CB-CG2 4.25Å; L168-W176 CarbonylContact C-O 3.29Å; L168-W176 WeakPolarHBondContact CA-O 3.38Å; L168-L177 HydrophobicContact CD2-CB 4.43Å; L168-L177 HydrophobicContact CD2-CD1 3.75Å
169	K	91.6	Very high	92.1	Very high	87 Å²	87	52 Å²	52	38%	0.378	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.5	175.5	-71.7	-175.5	-178.7	155.7	0	110	R101 W176 D178	R101-K169 VanDerWaalsContact NH2-CB 3.34Å; K169-W176 PolarHBondContact N-O 3.38Å; K169-W176 PolarHBondContact O-N 3.48Å; K169-D178 HydrophobicContact CD-CB 4.08Å; K169-D178 WeakPolarHBondContact CE-OD2 3.42Å; K169-D178 HydrophobicContact CG-CB 4.08Å; K169-D178 VanDerWaalsContact NZ-CG 3.29Å; K169-D178 IonicContact NZ-OD1 2.6Å; K169-D178 PolarHBondContact NZ-OD1 3.21Å; K169-D178 IonicContact NZ-OD2 3.3Å; K169-D178 PolarHBondContact NZ-OD2 3.38Å
170	R	86.3	Confident	92	Very high	44 Å²	44	50.6 Å²	50.6	17%	0.166	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.9	178.1	-171.1	171.4	175.9	67.7	3.5	110	S61 Q62 G173 V174 T175	S61-R170 PolarHBondContact O-NE 2.9Å; S61-R170 PolarHBondContact O-NH2 2.93Å; Q62-R170 WeakPolarHBondContact O-CG 3.48Å; Q62-R170 PolarHBondContact O-NE 3.37Å; R170-G173 VanDerWaalsContact CZ-O 3.26Å; R170-G173 VanDerWaalsContact NH1-C 3.32Å; R170-G173 PolarHBondContact NH1-O 3.23Å; R170-G173 PolarHBondContact NH2-O 3.3Å; R170-G173 VanDerWaalsContact NH2-O 3.16Å; R170-V174 CarbonylContact C-O 3.46Å; R170-V174 VanDerWaalsContact CA-O 3.3Å; R170-V174 WeakPolarHBondContact CA-O 3.49Å; R170-T175 PolarHBondContact NH1-OG1 2.9Å; R170-T175 VanDerWaalsContact NH1-OG1 3.1Å
171	E	83.3	Confident	91.9	Very high	83 Å²	83	48 Å²	48	39%	0.388	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.6	178.1	-74.6	176.5	-165.5	0	0	109.1	R101 G173 V174	R101-E171 IonicContact CZ-OE1 3.39Å; R101-E171 IonicContact CZ-OE2 3.53Å; R101-E171 VanDerWaalsContact NH1-CD 3.26Å; R101-E171 IonicContact NH1-OE1 3.2Å; R101-E171 PolarHBondContact NH1-OE1 2.93Å; R101-E171 IonicContact NH1-OE2 2.72Å; R101-E171 PolarHBondContact NH1-OE2 2.85Å; R101-E171 IonicContact NH2-OE1 2.7Å; R101-E171 PolarHBondContact NH2-OE1 3.47Å; R101-E171 IonicContact NH2-OE2 3.45Å; R101-E171 PolarHBondContact NH2-OE2 3.29Å; E171-G173 PolarHBondContact O-N 3.47Å; E171-G173 VanDerWaalsContact O-N 3.11Å; E171-V174 PolarHBondContact N-O 3.23Å; E171-V174 PolarHBondContact O-N 3.01Å
172	N	79.6	Confident	91.8	Very high	144 Å²	144	47.4 Å²	47.4	77%	0.77	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	35.8	177.9	-58.2	-30.5	0	0	0	113.1	V174	N172-V174 PolarHBondContact O-N 2.93Å
173	G	77.3	Confident	91.5	Very high	33 Å²	33	47 Å²	47	34%	0.34	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-2.5	-179.2	0	0	0	0	0	115.9	Q62 R170 E171	Q62-G173 PolarHBondContact O-N 2.96Å; R170-G173 VanDerWaalsContact CZ-O 3.26Å; R170-G173 VanDerWaalsContact NH1-C 3.32Å; R170-G173 PolarHBondContact NH1-O 3.23Å; R170-G173 PolarHBondContact NH2-O 3.3Å; R170-G173 VanDerWaalsContact NH2-O 3.16Å; E171-G173 PolarHBondContact O-N 3.47Å; E171-G173 VanDerWaalsContact O-N 3.11Å
174	V	84.6	Confident	90.7	Very high	65 Å²	65	52.6 Å²	52.6	39%	0.394	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	138	174.9	-175	0	0	0	0	109.7	R170 E171 N172 W176	R170-V174 CarbonylContact C-O 3.46Å; R170-V174 VanDerWaalsContact CA-O 3.3Å; R170-V174 WeakPolarHBondContact CA-O 3.49Å; E171-V174 PolarHBondContact N-O 3.23Å; E171-V174 PolarHBondContact O-N 3.01Å; N172-V174 PolarHBondContact O-N 2.93Å; V174-W176 HydrophobicContact CB-CZ2 4.02Å; V174-W176 HydrophobicContact CG1-CD2 4.02Å; V174-W176 HydrophobicContact CG1-CE3 4.4Å; V174-W176 HydrophobicContact CG1-CH2 3.94Å; V174-W176 HydrophobicContact CG1-CZ2 3.51Å; V174-W176 HydrophobicContact CG1-CZ3 4.36Å
175	T	89.9	Confident	89.1	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.5	177.1	-57.1	0	0	0	0	109.2	Y69 M73 L168 R170	Y69-T175 HydrophobicContact CE1-CG2 4.14Å; Y69-T175 VanDerWaalsContact CE1-OG1 3.26Å; Y69-T175 WeakPolarHBondContact CE1-OG1 3.11Å; Y69-T175 WeakPolarHBondContact OH-CB 3.36Å; Y69-T175 PolarHBondContact OH-OG1 3.42Å; M73-T175 HydrophobicContact CE-CG2 4.12Å; M73-T175 HydrophobicContact CG-CG2 4.45Å; L168-T175 HydrophobicContact CB-CG2 4.25Å; R170-T175 PolarHBondContact NH1-OG1 2.9Å; R170-T175 VanDerWaalsContact NH1-OG1 3.1Å
176	W	93.8	Very high	86.9	Confident	47 Å²	47	61.5 Å²	61.5	18%	0.178	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.1	-179.7	-55.6	102.9	0	0	0	110.7	Y99 I100 R101 L168 K169 V174 D178	Y99-W176 CarbonylContact O-C 3.59Å; Y99-W176 WeakPolarHBondContact O-CA 3.33Å; I100-W176 WeakPolarHBondContact O-CZ3 3.49Å; R101-W176 HydrophobicContact CG-CB 3.83Å; R101-W176 HydrophobicContact CG-CD2 4.1Å; R101-W176 HydrophobicContact CG-CE3 4.4Å; R101-W176 HydrophobicContact CG-CG 3.85Å; L168-W176 CarbonylContact C-O 3.29Å; L168-W176 WeakPolarHBondContact CA-O 3.38Å; K169-W176 PolarHBondContact N-O 3.38Å; K169-W176 PolarHBondContact O-N 3.48Å; V174-W176 HydrophobicContact CB-CZ2 4.02Å; V174-W176 HydrophobicContact CG1-CD2 4.02Å; V174-W176 HydrophobicContact CG1-CE3 4.4Å; V174-W176 HydrophobicContact CG1-CH2 3.94Å; V174-W176 HydrophobicContact CG1-CZ2 3.51Å; V174-W176 HydrophobicContact CG1-CZ3 4.36Å; W176-D178 PolarHBondContact O-N 3.02Å
177	L	95.2	Very high	84.2	Confident	8 Å²	8	70.9 Å²	70.9	4%	0.042	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	105.1	164.7	176.1	64.6	0	0	0	108.3	F77 L96 Y99 I100 L166 L168 N179 F180	F77-L177 HydrophobicContact CB-CD2 4.27Å; F77-L177 HydrophobicContact CD2-CB 4Å; F77-L177 HydrophobicContact CD2-CD1 4.08Å; F77-L177 HydrophobicContact CD2-CD2 4.32Å; F77-L177 HydrophobicContact CD2-CG 4.37Å; F77-L177 HydrophobicContact CE2-CB 3.96Å; F77-L177 HydrophobicContact CG-CD2 4.35Å; L96-L177 HydrophobicContact CD1-CD2 3.82Å; Y99-L177 PolarHBondContact O-N 3.04Å; I100-L177 HydrophobicContact CD1-CB 4.01Å; I100-L177 HydrophobicContact CD1-CD2 3.87Å; I100-L177 HydrophobicContact CD1-CG 4.09Å; L166-L177 HydrophobicContact CB-CD1 4.25Å; L166-L177 HydrophobicContact CD2-CD1 4.05Å; L166-L177 HydrophobicContact CG-CD1 4Å; L168-L177 HydrophobicContact CD2-CB 4.43Å; L168-L177 HydrophobicContact CD2-CD1 3.75Å; L177-N179 VanDerWaalsContact CD1-O 3.27Å; L177-N179 WeakPolarHBondContact CD1-O 3.48Å; L177-F180 HydrophobicContact CD1-CB 4.44Å; L177-F180 HydrophobicContact CD2-CB 4.34Å; L177-F180 HydrophobicContact CD2-CD2 4.12Å
178	D	93.5	Very high	81.4	Confident	66 Å²	66	81 Å²	81	35%	0.353	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-35.6	-175.9	-162.3	75.2	0	0	0	111.7	R101 I167 K169 W176	R101-D178 IonicContact NE-OD1 3.03Å; R101-D178 PolarHBondContact NE-OD1 3.11Å; I167-D178 HydrophobicContact CB-CB 4.44Å; I167-D178 HydrophobicContact CG2-CB 4.23Å; I167-D178 WeakPolarHBondContact O-CB 3.15Å; I167-D178 PolarHBondContact O-N 3.31Å; K169-D178 HydrophobicContact CD-CB 4.08Å; K169-D178 WeakPolarHBondContact CE-OD2 3.42Å; K169-D178 HydrophobicContact CG-CB 4.08Å; K169-D178 VanDerWaalsContact NZ-CG 3.29Å; K169-D178 IonicContact NZ-OD1 2.6Å; K169-D178 PolarHBondContact NZ-OD1 3.21Å; K169-D178 IonicContact NZ-OD2 3.3Å; K169-D178 PolarHBondContact NZ-OD2 3.38Å; W176-D178 PolarHBondContact O-N 3.02Å
179	N	94	Very high	80.7	Confident	83 Å²	83	84.8 Å²	84.8	44%	0.444	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	139.9	175.9	-169.5	-76.8	0	0	0	110.6	L166 I167 L177 G181	L166-N179 WeakPolarHBondContact CA-O 3.45Å; I167-N179 HydrophobicContact CB-CB 3.83Å; I167-N179 HydrophobicContact CG1-CB 3.85Å; I167-N179 PolarHBondContact N-O 3.3Å; I167-N179 PolarHBondContact O-N 2.98Å; L177-N179 VanDerWaalsContact CD1-O 3.27Å; L177-N179 WeakPolarHBondContact CD1-O 3.48Å; N179-G181 PolarHBondContact OD1-N 3.4Å
180	F	94.9	Very high	80.1	Confident	53 Å²	53	84.7 Å²	84.7	23%	0.232	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	101.7	168.3	-169.3	-62.6	0	0	0	106.7	I78 R81 L82 Y164 L166 L177	I78-F180 HydrophobicContact CG1-CE2 3.82Å; I78-F180 HydrophobicContact CG1-CZ 3.94Å; R81-F180 HydrophobicContact CB-CE2 3.95Å; R81-F180 HydrophobicContact CB-CZ 4.13Å; R81-F180 HydrophobicContact CG-CE1 4.46Å; R81-F180 HydrophobicContact CG-CE2 4.06Å; R81-F180 HydrophobicContact CG-CZ 3.96Å; L82-F180 HydrophobicContact CD1-CZ 4.36Å; L82-F180 HydrophobicContact CG-CZ 4.34Å; Y164-F180 HydrophobicContact CD1-CD1 4.36Å; Y164-F180 AromaticContact CD1-CE1 3.6Å; Y164-F180 HydrophobicContact CD1-CE1 3.6Å; Y164-F180 HydrophobicContact CD1-CZ 4.31Å; Y164-F180 AromaticContact CE1-CE1 3.93Å; Y164-F180 HydrophobicContact CE1-CE1 3.93Å; Y164-F180 HydrophobicContact CG-CE1 4.2Å; L166-F180 HydrophobicContact CD1-CD2 4Å; L166-F180 HydrophobicContact CD1-CE2 4.07Å; L166-F180 HydrophobicContact CD1-CG 4.3Å; L166-F180 HydrophobicContact CD1-CZ 4.41Å; L166-F180 HydrophobicContact CD2-CD2 4.05Å; L166-F180 HydrophobicContact CD2-CE2 4.19Å; L166-F180 HydrophobicContact CG-CD2 3.93Å; L166-F180 HydrophobicContact CG-CE2 4.34Å; L166-F180 HydrophobicContact CG-CG 4.39Å; L177-F180 HydrophobicContact CD1-CB 4.44Å; L177-F180 HydrophobicContact CD2-CB 4.34Å; L177-F180 HydrophobicContact CD2-CD2 4.12Å
181	G	94.2	Very high	79.8	Confident	21 Å²	21	86.9 Å²	86.9	22%	0.216	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148.5	-177.6	0	0	0	0	0	111.8	Y164 I165 N179	Y164-G181 CarbonylContact C-O 3.58Å; Y164-G181 VanDerWaalsContact CA-O 3.26Å; Y164-G181 WeakPolarHBondContact CA-O 3.45Å; I165-G181 PolarHBondContact N-O 3.49Å; I165-G181 PolarHBondContact O-N 3.49Å; N179-G181 PolarHBondContact OD1-N 3.4Å
182	E	94	Very high	79.6	Confident	97 Å²	97	87.2 Å²	87.2	45%	0.453	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.5	164.8	-169.7	170.8	150.5	0	0	108.8	K162 H163 Y164	K162-E182 WeakPolarHBondContact CD-OE1 3.22Å; K162-E182 WeakPolarHBondContact CE-OE1 3.35Å; K162-E182 IonicContact NZ-OE1 2.59Å; K162-E182 PolarHBondContact NZ-OE1 3.12Å; K162-E182 IonicContact NZ-OE2 2.7Å; H163-E182 CarbonylContact O-C 3.53Å; H163-E182 WeakPolarHBondContact O-CA 3.41Å; Y164-E182 HydrophobicContact CD1-CB 4.03Å; Y164-E182 HydrophobicContact CD1-CG 4.31Å; Y164-E182 HydrophobicContact CE1-CB 3.88Å; Y164-E182 HydrophobicContact CE1-CG 3.97Å
183	T	90.1	Very high	79.6	Confident	37 Å²	37	83.6 Å²	83.6	23%	0.227	42%	0.422	C	S	.	.			trans	-127.9	138.5	176.2	-171.6	0	0	0	0	110.4	H163 I165 D185	H163-T183 HydrophobicContact CB-CG2 3.83Å; H163-T183 VanDerWaalsContact CG-CG2 3.41Å; H163-T183 WeakPolarHBondContact ND1-CG2 3.5Å; H163-T183 PolarHBondContact O-N 3.01Å; I165-T183 HydrophobicContact CD1-CG2 3.84Å; I165-T183 HydrophobicContact CG1-CG2 3.85Å; T183-D185 PolarHBondContact O-N 3.26Å
184	D	80.4	Confident	79.7	Confident	141 Å²	141	87 Å²	87	75%	0.754	43%	0.428	S	S	*	.			trans	-88.1	74.2	176.1	-67.6	-33.7	0	0	0	110	E186	D184-E186 PolarHBondContact O-N 2.94Å
185	D	62.4	Low	79.4	Confident	72 Å²	72	88.6 Å²	88.6	39%	0.385	43%	0.43	S	S	.	.			trans	-87.3	24.2	173.4	-80.6	-36	0	0	0	113.3	H163 T183 K187	H163-D185 IonicContact CE1-OD2 2.7Å; H163-D185 PolarHBondContact CE1-OD2 3.43Å; H163-D185 IonicContact ND1-OD2 3.32Å; H163-D185 PolarHBondContact ND1-OD2 3.47Å; T183-D185 PolarHBondContact O-N 3.26Å; D185-K187 PolarHBondContact O-N 3.36Å; D185-K187 VanDerWaalsContact O-N 3.14Å
186	E	51.5	Low	78.6	Confident	157 Å²	157	95 Å²	95	73%	0.734	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	5.9	168.1	-62.8	-152.9	161.8	0	0	113.4	D184	D184-E186 PolarHBondContact O-N 2.94Å
187	K	41.4	Very low	77.3	Confident	198 Å²	198	99 Å²	99	86%	0.861	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	31	-175.6	-68	-167.6	179.5	178.6	0	116.4	D185	D185-K187 PolarHBondContact O-N 3.36Å; D185-K187 VanDerWaalsContact O-N 3.14Å
188	K	36.5	Very low	75.7	Confident	255 Å²	255	107.3 Å²	107.3	100%	1.109	52%	0.524	S	S	*	.			trans	-137.6	0	165.5	-70.2	-171.6	179.4	178.4	0	111.7

Retrieved 188 of 188 residues in 94 ms (Link to these results)

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