A0A5K4FAX9_SCHMA Loading...

Annexin

AlphaFold DB , UniProt , Accession A0A5K4FAX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 aa.

						>A0A5K4FAX9_SCHMA|A0A5K4FAX9
MSGHGLNTILSIVRCIQNRPRYFAEKLIKATKNTEKDLKTIIRIIVTRCEVDMGQIKEEFLNLYGKSLKDCLKFDNGYNVNEESNQIIQSINHILLGGEARNCRSMLLKLIRE
					

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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	50.3	Low	75.3	Confident	241 Å²	241	99.6 Å²	99.6	100%	1.187	57%	0.572	S	S	*	*				0	28.1	0	-71.2	-157.7	171.9	0	0	114.1
2	S	62.9	Low	75.9	Confident	94 Å²	94	99.3 Å²	99.3	66%	0.657	57%	0.566	S	S	*	*			trans	-108.5	-10.2	-174.2	46.4	0	0	0	0	115.7
3	G	67.2	Low	76.7	Confident	38 Å²	38	96.2 Å²	96.2	39%	0.392	55%	0.549	S	S	.	.	H	α-helix	trans	-71.2	-34.3	-172.3	0	0	0	0	0	114.7	N7	G3-N7 VanDerWaalsContact O-CB 3.32Å; G3-N7 WeakPolarHBondContact O-CB 3.5Å; G3-N7 PolarHBondContact O-N 2.8Å; G3-N7 PolarHBondContact O-ND2 3.04Å; G3-N7 VanDerWaalsContact O-ND2 3.09Å
4	H	75.6	Confident	77	Confident	155 Å²	155	96.2 Å²	96.2	72%	0.718	54%	0.536	S	S	*	.	H	α-helix	trans	-68.6	-43.3	-174.5	-60.9	-66.7	0	0	0	112.7	N7 T8	H4-N7 PolarHBondContact O-N 2.9Å; H4-T8 WeakPolarHBondContact O-CB 2.92Å; H4-T8 PolarHBondContact O-N 3.35Å; H4-T8 PolarHBondContact O-OG1 3.29Å
5	G	77.4	Confident	77	Confident	41 Å²	41	92.2 Å²	92.2	42%	0.423	52%	0.517	S	S	.	.	H	α-helix	trans	-61.9	-48.2	178.5	0	0	0	0	0	112	N7 T8 I9	G5-N7 PolarHBondContact O-N 2.78Å; G5-T8 PolarHBondContact O-N 3.21Å; G5-I9 WeakPolarHBondContact O-CG1 3.49Å; G5-I9 PolarHBondContact O-N 2.75Å
6	L	84	Confident	77.3	Confident	117 Å²	117	94.5 Å²	94.5	61%	0.613	53%	0.526	S	S	*	.	H	α-helix	trans	-62.8	-41.7	178.2	-66.4	176.8	0	0	0	112.1	T8 I9 L10	L6-T8 VanDerWaalsContact C-N 3.34Å; L6-T8 PolarHBondContact O-N 2.87Å; L6-I9 PolarHBondContact O-N 2.92Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 PolarHBondContact O-N 3.03Å
7	N	82.6	Confident	77.9	Confident	98 Å²	98	98.1 Å²	98.1	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-64.5	-37.7	176.7	-74.9	-27.7	0	0	0	112.6	G3 H4 G5 S11	G3-N7 VanDerWaalsContact O-CB 3.32Å; G3-N7 WeakPolarHBondContact O-CB 3.5Å; G3-N7 PolarHBondContact O-N 2.8Å; G3-N7 PolarHBondContact O-ND2 3.04Å; G3-N7 VanDerWaalsContact O-ND2 3.09Å; H4-N7 PolarHBondContact O-N 2.9Å; G5-N7 PolarHBondContact O-N 2.78Å; N7-S11 WeakPolarHBondContact O-CB 3.44Å; N7-S11 PolarHBondContact O-N 3.4Å; N7-S11 PolarHBondContact O-OG 2.92Å
8	T	80.8	Confident	78.6	Confident	84 Å²	84	95.4 Å²	95.4	52%	0.515	52%	0.522	S	S	.	.	H	α-helix	trans	-65.9	-49.7	175.4	-62.3	0	0	0	0	110.9	H4 G5 L6 L10 S11 I12	H4-T8 WeakPolarHBondContact O-CB 2.92Å; H4-T8 PolarHBondContact O-N 3.35Å; H4-T8 PolarHBondContact O-OG1 3.29Å; G5-T8 PolarHBondContact O-N 3.21Å; L6-T8 VanDerWaalsContact C-N 3.34Å; L6-T8 PolarHBondContact O-N 2.87Å; T8-L10 VanDerWaalsContact C-N 3.35Å; T8-L10 PolarHBondContact O-N 3.01Å; T8-S11 WeakPolarHBondContact O-CB 3.5Å; T8-S11 PolarHBondContact O-N 3.48Å; T8-I12 HydrophobicContact CG2-CD1 4.13Å; T8-I12 WeakPolarHBondContact O-CG1 3.27Å; T8-I12 PolarHBondContact O-N 3.23Å
9	I	83.9	Confident	79.3	Confident	103 Å²	103	97.4 Å²	97.4	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-60.2	-45.9	178.1	-65.7	166.4	0	0	0	110.3	G5 L6 S11 I12 V13	G5-I9 WeakPolarHBondContact O-CG1 3.49Å; G5-I9 PolarHBondContact O-N 2.75Å; L6-I9 PolarHBondContact O-N 2.92Å; I9-S11 VanDerWaalsContact C-N 3.3Å; I9-S11 PolarHBondContact O-N 3.46Å; I9-I12 WeakPolarHBondContact O-CB 3.29Å; I9-I12 PolarHBondContact O-N 2.74Å; I9-I12 VanDerWaalsContact O-N 3.14Å; I9-V13 HydrophobicContact CG2-CG2 4.29Å; I9-V13 WeakPolarHBondContact O-CG2 3.47Å; I9-V13 PolarHBondContact O-N 3.16Å
10	L	84.5	Confident	80	Confident	77 Å²	77	93.2 Å²	93.2	40%	0.403	50%	0.499	S	S	.	.	H	α-helix	trans	-59.1	-40.8	177.1	-179.8	61.2	0	0	0	112.1	L6 T8 I12 V13 R14	L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 PolarHBondContact O-N 3.03Å; T8-L10 VanDerWaalsContact C-N 3.35Å; T8-L10 PolarHBondContact O-N 3.01Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-V13 PolarHBondContact O-N 3.19Å; L10-R14 HydrophobicContact CD1-CG 4.28Å; L10-R14 WeakPolarHBondContact O-CB 2.94Å; L10-R14 VanDerWaalsContact O-CG 3.32Å; L10-R14 WeakPolarHBondContact O-CG 3.47Å; L10-R14 PolarHBondContact O-N 3.16Å
11	S	78.9	Confident	80.7	Confident	48 Å²	48	94 Å²	94	34%	0.336	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-38.8	177.3	-63	0	0	0	0	112.1	N7 T8 I9 C15 Y22	N7-S11 WeakPolarHBondContact O-CB 3.44Å; N7-S11 PolarHBondContact O-N 3.4Å; N7-S11 PolarHBondContact O-OG 2.92Å; T8-S11 WeakPolarHBondContact O-CB 3.5Å; T8-S11 PolarHBondContact O-N 3.48Å; I9-S11 VanDerWaalsContact C-N 3.3Å; I9-S11 PolarHBondContact O-N 3.46Å; S11-C15 WeakPolarHBondContact O-CB 3.46Å; S11-C15 PolarHBondContact O-N 3.03Å; S11-C15 VanDerWaalsContact O-N 3.11Å; S11-Y22 WeakPolarHBondContact O-CE2 3.24Å
12	I	82.4	Confident	82.7	Confident	96 Å²	96	84.1 Å²	84.1	49%	0.492	45%	0.445	S	S	.	.	H	α-helix	trans	-65.4	-48.6	175.3	-66.4	166.7	0	0	0	109.9	T8 I9 L10 R14 C15 I16	T8-I12 HydrophobicContact CG2-CD1 4.13Å; T8-I12 WeakPolarHBondContact O-CG1 3.27Å; T8-I12 PolarHBondContact O-N 3.23Å; I9-I12 WeakPolarHBondContact O-CB 3.29Å; I9-I12 PolarHBondContact O-N 2.74Å; I9-I12 VanDerWaalsContact O-N 3.14Å; L10-I12 VanDerWaalsContact C-N 3.34Å; I12-R14 PolarHBondContact O-N 3.2Å; I12-C15 WeakPolarHBondContact O-CB 3.46Å; I12-C15 PolarHBondContact O-N 2.97Å; I12-I16 HydrophobicContact CG2-CD1 3.76Å; I12-I16 HydrophobicContact CG2-CG1 4.48Å; I12-I16 WeakPolarHBondContact O-CG1 3.24Å; I12-I16 PolarHBondContact O-N 3.37Å
13	V	87	Confident	84.1	Confident	58 Å²	58	81.1 Å²	81.1	35%	0.352	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-47.1	179.9	172.7	0	0	0	0	111.4	I9 L10 C15 I16 Q17	I9-V13 HydrophobicContact CG2-CG2 4.29Å; I9-V13 WeakPolarHBondContact O-CG2 3.47Å; I9-V13 PolarHBondContact O-N 3.16Å; L10-V13 PolarHBondContact O-N 3.19Å; V13-C15 VanDerWaalsContact C-N 3.31Å; V13-C15 PolarHBondContact O-N 3.48Å; V13-I16 PolarHBondContact O-N 2.96Å; V13-I16 VanDerWaalsContact O-N 3.17Å; V13-Q17 HydrophobicContact CG1-CG 4.28Å; V13-Q17 WeakPolarHBondContact O-CG 3.42Å; V13-Q17 PolarHBondContact O-N 2.77Å
14	R	80.3	Confident	85.3	Confident	97 Å²	97	79.3 Å²	79.3	37%	0.366	40%	0.402	S	S	.	.	H	α-helix	trans	-59.2	-42.5	176.4	-74	179.7	-178.3	-158.9	1.6	112.1	L10 I12 I16 Q17 N18 Y22 E25	L10-R14 HydrophobicContact CD1-CG 4.28Å; L10-R14 WeakPolarHBondContact O-CB 2.94Å; L10-R14 VanDerWaalsContact O-CG 3.32Å; L10-R14 WeakPolarHBondContact O-CG 3.47Å; L10-R14 PolarHBondContact O-N 3.16Å; I12-R14 PolarHBondContact O-N 3.2Å; R14-I16 VanDerWaalsContact C-N 3.34Å; R14-Q17 PolarHBondContact O-N 2.96Å; R14-N18 PolarHBondContact O-N 2.66Å; R14-N18 VanDerWaalsContact O-N 3.08Å; R14-Y22 HydrophobicContact CB-CD2 4.12Å; R14-E25 IonicContact CZ-OE2 3.95Å; R14-E25 IonicContact NH1-OE2 2.88Å; R14-E25 PolarHBondContact NH1-OE2 3.08Å
15	C	77.4	Confident	86.2	Confident	36 Å²	36	74 Å²	74	24%	0.243	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-43	176.8	-171.3	0	0	0	0	111.1	S11 I12 V13 R19 Y22	S11-C15 WeakPolarHBondContact O-CB 3.46Å; S11-C15 PolarHBondContact O-N 3.03Å; S11-C15 VanDerWaalsContact O-N 3.11Å; I12-C15 WeakPolarHBondContact O-CB 3.46Å; I12-C15 PolarHBondContact O-N 2.97Å; V13-C15 VanDerWaalsContact C-N 3.31Å; V13-C15 PolarHBondContact O-N 3.48Å; C15-R19 WeakPolarHBondContact O-CA 3.5Å; C15-R19 WeakPolarHBondContact O-CG 3.36Å; C15-R19 PolarHBondContact O-N 3.2Å; C15-Y22 HydrophobicContact CB-CD1 4.12Å; C15-Y22 HydrophobicContact CB-CD2 4.17Å; C15-Y22 HydrophobicContact CB-CE1 4.34Å; C15-Y22 HydrophobicContact CB-CE2 4.37Å; C15-Y22 HydrophobicContact CB-CG 4.01Å
16	I	82.1	Confident	86.9	Confident	129 Å²	129	75.6 Å²	75.6	66%	0.662	37%	0.373	S	S	*	.	H	α-helix	trans	-67	-43.2	178.9	-66.8	166.6	0	0	0	111.5	I12 V13 R14	I12-I16 HydrophobicContact CG2-CD1 3.76Å; I12-I16 HydrophobicContact CG2-CG1 4.48Å; I12-I16 WeakPolarHBondContact O-CG1 3.24Å; I12-I16 PolarHBondContact O-N 3.37Å; V13-I16 PolarHBondContact O-N 2.96Å; V13-I16 VanDerWaalsContact O-N 3.17Å; R14-I16 VanDerWaalsContact C-N 3.34Å
17	Q	88	Confident	87.2	Confident	155 Å²	155	70 Å²	70	72%	0.724	34%	0.343	S	S	*	.	H	α-helix	trans	-70	-47	-175.1	-74.7	177.9	-25.3	0	0	113.2	V13 R14	V13-Q17 HydrophobicContact CG1-CG 4.28Å; V13-Q17 WeakPolarHBondContact O-CG 3.42Å; V13-Q17 PolarHBondContact O-N 2.77Å; R14-Q17 PolarHBondContact O-N 2.96Å
18	N	90.1	Very high	87.6	Confident	50 Å²	50	66.4 Å²	66.4	27%	0.267	32%	0.324	S	S	.	.			trans	-148.1	90.9	178.4	-174.4	-24.8	0	0	0	109.6	R14 P20 R21 Y22 E59	R14-N18 PolarHBondContact O-N 2.66Å; R14-N18 VanDerWaalsContact O-N 3.08Å; N18-P20 VanDerWaalsContact OD1-CD 3.3Å; N18-P20 WeakPolarHBondContact OD1-CD 3.29Å; N18-R21 HydrophobicContact CB-CB 3.87Å; N18-R21 WeakPolarHBondContact ND2-CB 3.3Å; N18-R21 PolarHBondContact O-N 3Å; N18-R21 VanDerWaalsContact OD1-CB 3.25Å; N18-R21 WeakPolarHBondContact OD1-CB 3.48Å; N18-R21 PolarHBondContact OD1-N 2.89Å; N18-Y22 PolarHBondContact O-N 3.32Å; N18-E59 PolarHBondContact ND2-OE1 3.11Å
19	R	91.1	Very high	88.1	Confident	134 Å²	134	68.9 Å²	68.9	51%	0.506	33%	0.327	S	S	.	.	H	α-helix	trans	-55.8	-51.6	178.9	-79.8	-175.2	-98.8	95.7	-1.4	112.4	C15 R21 Y22 F23	C15-R19 WeakPolarHBondContact O-CA 3.5Å; C15-R19 WeakPolarHBondContact O-CG 3.36Å; C15-R19 PolarHBondContact O-N 3.2Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R19-R21 PolarHBondContact O-N 3.35Å; R19-Y22 WeakPolarHBondContact O-CB 3.25Å; R19-Y22 PolarHBondContact O-N 3.38Å; R19-F23 WeakPolarHBondContact O-CD2 3.39Å; R19-F23 PolarHBondContact O-N 2.95Å; R19-F23 VanDerWaalsContact O-N 3.15Å
20	P	92.8	Very high	88.2	Confident	12 Å²	12	64 Å²	64	8%	0.078	30%	0.303	C	S	.	.	H	α-helix	trans	-54.5	-47.3	177.5	-30.4	37.4	0	0	0	113.2	N18 Y22 F23 A24 Q55 I56 E59	N18-P20 VanDerWaalsContact OD1-CD 3.3Å; N18-P20 WeakPolarHBondContact OD1-CD 3.29Å; P20-Y22 PolarHBondContact O-N 3.38Å; P20-F23 PolarHBondContact O-N 3.41Å; P20-A24 WeakPolarHBondContact O-CB 3.27Å; P20-A24 PolarHBondContact O-N 2.87Å; P20-Q55 HydrophobicContact CB-CB 3.77Å; P20-Q55 HydrophobicContact CG-CB 3.63Å; P20-I56 HydrophobicContact CB-CG1 4.18Å; P20-E59 HydrophobicContact CB-CG 3.96Å
21	R	94.6	Very high	88.2	Confident	110 Å²	110	61.1 Å²	61.1	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-40.5	178	-173.1	173	173.9	150.2	1.7	112.9	N18 R19 F23 A24 E25 E59 L63	N18-R21 HydrophobicContact CB-CB 3.87Å; N18-R21 WeakPolarHBondContact ND2-CB 3.3Å; N18-R21 PolarHBondContact O-N 3Å; N18-R21 VanDerWaalsContact OD1-CB 3.25Å; N18-R21 WeakPolarHBondContact OD1-CB 3.48Å; N18-R21 PolarHBondContact OD1-N 2.89Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R19-R21 PolarHBondContact O-N 3.35Å; R21-F23 PolarHBondContact O-N 3.35Å; R21-A24 WeakPolarHBondContact O-CB 3.42Å; R21-A24 PolarHBondContact O-N 3.44Å; R21-E25 IonicContact NE-OE1 2.77Å; R21-E25 WeakPolarHBondContact O-CG 3.33Å; R21-E25 PolarHBondContact O-N 3.35Å; R21-E59 HydrophobicContact CB-CG 4.22Å; R21-L63 HydrophobicContact CG-CD1 3.96Å
22	Y	93.4	Very high	88.4	Confident	35 Å²	35	65.4 Å²	65.4	14%	0.137	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-45.6	176.5	172.4	-98.5	0	0	0	112.3	S11 R14 C15 N18 R19 P20 K26	S11-Y22 WeakPolarHBondContact O-CE2 3.24Å; R14-Y22 HydrophobicContact CB-CD2 4.12Å; C15-Y22 HydrophobicContact CB-CD1 4.12Å; C15-Y22 HydrophobicContact CB-CD2 4.17Å; C15-Y22 HydrophobicContact CB-CE1 4.34Å; C15-Y22 HydrophobicContact CB-CE2 4.37Å; C15-Y22 HydrophobicContact CB-CG 4.01Å; N18-Y22 PolarHBondContact O-N 3.32Å; R19-Y22 WeakPolarHBondContact O-CB 3.25Å; R19-Y22 PolarHBondContact O-N 3.38Å; P20-Y22 PolarHBondContact O-N 3.38Å; Y22-K26 HydrophobicContact CE1-CD 4.05Å; Y22-K26 PolarHBondContact O-N 2.92Å; Y22-K26 WeakPolarHBondContact OH-CE 3.22Å; Y22-K26 PolarHBondContact OH-NZ 2.95Å
23	F	91.9	Very high	88.2	Confident	30 Å²	30	65.5 Å²	65.5	13%	0.132	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-36.2	176.7	-75.8	-69.9	0	0	0	112	R19 P20 R21 K26 L27 I44 R48 I56	R19-F23 WeakPolarHBondContact O-CD2 3.39Å; R19-F23 PolarHBondContact O-N 2.95Å; R19-F23 VanDerWaalsContact O-N 3.15Å; P20-F23 PolarHBondContact O-N 3.41Å; R21-F23 PolarHBondContact O-N 3.35Å; F23-K26 PolarHBondContact O-N 2.9Å; F23-L27 WeakPolarHBondContact O-CG 3.44Å; F23-L27 PolarHBondContact O-N 3.3Å; F23-I44 HydrophobicContact CB-CG2 4.13Å; F23-I44 HydrophobicContact CD1-CB 4.41Å; F23-I44 HydrophobicContact CD1-CD1 4.3Å; F23-I44 HydrophobicContact CD1-CG1 3.96Å; F23-I44 HydrophobicContact CD1-CG2 3.72Å; F23-I44 HydrophobicContact CE1-CG1 4.37Å; F23-I44 HydrophobicContact CG-CG2 4.25Å; F23-R48 HydrophobicContact CD1-CG 4.13Å; F23-R48 HydrophobicContact CD2-CG 4.16Å; F23-R48 HydrophobicContact CE1-CG 4.14Å; F23-R48 HydrophobicContact CE2-CG 4.2Å; F23-R48 HydrophobicContact CG-CG 4.14Å; F23-R48 HydrophobicContact CZ-CG 4.18Å; F23-I56 HydrophobicContact CB-CD1 3.68Å; F23-I56 HydrophobicContact CB-CG1 3.98Å; F23-I56 HydrophobicContact CB-CG2 4.27Å; F23-I56 HydrophobicContact CD2-CD1 4.2Å; F23-I56 HydrophobicContact CG-CD1 4.13Å
24	A	93.3	Very high	87.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-47.8	172.5	0	0	0	0	0	111.9	P20 R21 K26 L27 I28 E59 F60 L63	P20-A24 WeakPolarHBondContact O-CB 3.27Å; P20-A24 PolarHBondContact O-N 2.87Å; R21-A24 WeakPolarHBondContact O-CB 3.42Å; R21-A24 PolarHBondContact O-N 3.44Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 3.21Å; A24-L27 PolarHBondContact O-N 2.95Å; A24-L27 VanDerWaalsContact O-N 3.14Å; A24-I28 VanDerWaalsContact O-CG1 3.29Å; A24-I28 WeakPolarHBondContact O-CG1 3.35Å; A24-I28 PolarHBondContact O-N 3.15Å; A24-E59 HydrophobicContact CB-CB 3.81Å; A24-F60 HydrophobicContact CB-CB 4.03Å; A24-L63 HydrophobicContact CB-CD1 4.31Å
25	E	93.8	Very high	86.9	Confident	43 Å²	43	65.1 Å²	65.1	20%	0.201	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-39	175.5	-75.1	-178.1	-174.8	0	0	112.3	R14 R21 K29 L63	R14-E25 IonicContact CZ-OE2 3.95Å; R14-E25 IonicContact NH1-OE2 2.88Å; R14-E25 PolarHBondContact NH1-OE2 3.08Å; R21-E25 IonicContact NE-OE1 2.77Å; R21-E25 WeakPolarHBondContact O-CG 3.33Å; R21-E25 PolarHBondContact O-N 3.35Å; E25-K29 WeakPolarHBondContact O-CG 3.47Å; E25-K29 PolarHBondContact O-N 3.44Å; E25-K29 VanDerWaalsContact O-N 3.14Å; E25-L63 HydrophobicContact CG-CD1 3.87Å
26	K	91.9	Very high	86.8	Confident	76 Å²	76	71.9 Å²	71.9	33%	0.33	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-42.2	175.1	-81	-166	171.8	178.2	0	112.5	Y22 F23 A24 I28 K29 A30 I44	Y22-K26 HydrophobicContact CE1-CD 4.05Å; Y22-K26 PolarHBondContact O-N 2.92Å; Y22-K26 WeakPolarHBondContact OH-CE 3.22Å; Y22-K26 PolarHBondContact OH-NZ 2.95Å; F23-K26 PolarHBondContact O-N 2.9Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 3.21Å; K26-I28 VanDerWaalsContact C-N 3.33Å; K26-K29 PolarHBondContact O-N 3.45Å; K26-A30 WeakPolarHBondContact O-CB 3.47Å; K26-A30 PolarHBondContact O-N 2.93Å; K26-I44 HydrophobicContact CB-CD1 3.64Å; K26-I44 HydrophobicContact CD-CD1 4.29Å
27	L	90.2	Very high	86.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-45.2	174.8	-75.9	169.3	0	0	0	110.2	F23 A24 K29 A30 T31 I41 I44 I56 F60 L68	F23-L27 WeakPolarHBondContact O-CG 3.44Å; F23-L27 PolarHBondContact O-N 3.3Å; A24-L27 PolarHBondContact O-N 2.95Å; A24-L27 VanDerWaalsContact O-N 3.14Å; L27-K29 VanDerWaalsContact C-N 3.28Å; L27-K29 PolarHBondContact O-N 3.17Å; L27-A30 CarbonylContact O-C 3.55Å; L27-A30 PolarHBondContact O-N 2.83Å; L27-T31 WeakPolarHBondContact O-CG2 3.44Å; L27-T31 PolarHBondContact O-N 2.92Å; L27-T31 PolarHBondContact O-OG1 3.37Å; L27-I41 HydrophobicContact CD2-CB 4.43Å; L27-I41 HydrophobicContact CD2-CG1 4.31Å; L27-I41 HydrophobicContact CD2-CG2 4.2Å; L27-I44 HydrophobicContact CD1-CG2 4.05Å; L27-I44 HydrophobicContact CD2-CB 4.17Å; L27-I44 HydrophobicContact CD2-CD1 4.24Å; L27-I44 HydrophobicContact CD2-CG2 4.07Å; L27-I44 HydrophobicContact CG-CD1 4.22Å; L27-I44 HydrophobicContact CG-CG2 3.97Å; L27-I56 HydrophobicContact CD1-CG2 3.6Å; L27-F60 HydrophobicContact CB-CD2 3.69Å; L27-F60 HydrophobicContact CB-CE2 3.66Å; L27-F60 HydrophobicContact CD1-CD2 4.48Å; L27-L68 HydrophobicContact CB-CD1 4.37Å; L27-L68 HydrophobicContact CD1-CD1 4.17Å; L27-L68 HydrophobicContact CD1-CD2 3.87Å; L27-L68 HydrophobicContact CD2-CD1 4.31Å
28	I	91.1	Very high	86.3	Confident	22 Å²	22	61.4 Å²	61.4	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-40.8	178.4	-68.3	165.6	0	0	0	111.3	A24 K26 T31 K32 F60 L63 Y64	A24-I28 VanDerWaalsContact O-CG1 3.29Å; A24-I28 WeakPolarHBondContact O-CG1 3.35Å; A24-I28 PolarHBondContact O-N 3.15Å; K26-I28 VanDerWaalsContact C-N 3.33Å; I28-T31 WeakPolarHBondContact CA-OG1 3.39Å; I28-T31 PolarHBondContact O-OG1 2.91Å; I28-K32 WeakPolarHBondContact O-CG 3.29Å; I28-F60 HydrophobicContact CB-CE2 4.27Å; I28-F60 HydrophobicContact CD1-CD2 4.39Å; I28-F60 HydrophobicContact CG1-CD2 3.61Å; I28-F60 HydrophobicContact CG1-CE2 3.44Å; I28-F60 VanDerWaalsContact CG1-CE2 3.44Å; I28-F60 HydrophobicContact CG1-CG 4.36Å; I28-F60 HydrophobicContact CG1-CZ 4.05Å; I28-L63 HydrophobicContact CD1-CB 3.59Å; I28-L63 HydrophobicContact CD1-CD1 4.09Å; I28-Y64 HydrophobicContact CG1-CD2 4.36Å; I28-Y64 HydrophobicContact CG1-CG 4.17Å; I28-Y64 HydrophobicContact CG2-CD2 3.79Å; I28-Y64 HydrophobicContact CG2-CE2 4.21Å; I28-Y64 HydrophobicContact CG2-CG 4.41Å
29	K	90.4	Very high	85.7	Confident	135 Å²	135	67.3 Å²	67.3	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-65.6	-44.5	175.6	-71.5	176.9	-175	-178.3	0	111.3	E25 K26 L27 K32	E25-K29 WeakPolarHBondContact O-CG 3.47Å; E25-K29 PolarHBondContact O-N 3.44Å; E25-K29 VanDerWaalsContact O-N 3.14Å; K26-K29 PolarHBondContact O-N 3.45Å; L27-K29 VanDerWaalsContact C-N 3.28Å; L27-K29 PolarHBondContact O-N 3.17Å; K29-K32 WeakPolarHBondContact O-CB 3.17Å; K29-K32 PolarHBondContact O-N 3.05Å
30	A	86.6	Confident	85.3	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-70.1	-36.3	-177.4	0	0	0	0	0	112.8	K26 L27 K32 N33 T34 D37 T40 I41	K26-A30 WeakPolarHBondContact O-CB 3.47Å; K26-A30 PolarHBondContact O-N 2.93Å; L27-A30 CarbonylContact O-C 3.55Å; L27-A30 PolarHBondContact O-N 2.83Å; A30-K32 PolarHBondContact O-N 3.44Å; A30-N33 CarbonylContact O-C 3.37Å; A30-N33 VanDerWaalsContact O-C 3.29Å; A30-N33 PolarHBondContact O-N 3.46Å; A30-T34 PolarHBondContact O-N 3.19Å; A30-D37 HydrophobicContact CB-CB 3.64Å; A30-T40 HydrophobicContact CB-CG2 4.22Å; A30-I41 HydrophobicContact CB-CD1 4.01Å; A30-I41 HydrophobicContact CB-CG1 3.55Å
31	T	83.9	Confident	84.8	Confident	15 Å²	15	62.2 Å²	62.2	9%	0.092	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.3	177.6	55.6	0	0	0	0	113.4	L27 I28 T34 I41 F60 L68 C71 L72	L27-T31 WeakPolarHBondContact O-CG2 3.44Å; L27-T31 PolarHBondContact O-N 2.92Å; L27-T31 PolarHBondContact O-OG1 3.37Å; I28-T31 WeakPolarHBondContact CA-OG1 3.39Å; I28-T31 PolarHBondContact O-OG1 2.91Å; T31-T34 PolarHBondContact O-OG1 3.35Å; T31-I41 HydrophobicContact CG2-CD1 4.16Å; T31-F60 HydrophobicContact CG2-CE2 4.46Å; T31-F60 HydrophobicContact CG2-CZ 4.36Å; T31-L68 HydrophobicContact CG2-CD1 4.31Å; T31-C71 HydrophobicContact CG2-CB 4.08Å; T31-L72 HydrophobicContact CG2-CD2 4.06Å
32	K	84.3	Confident	84	Confident	138 Å²	138	57.8 Å²	57.8	60%	0.6	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-29.1	170.4	-71.7	174.4	-176.9	-168.6	0	112.3	I28 K29 A30	I28-K32 WeakPolarHBondContact O-CG 3.29Å; K29-K32 WeakPolarHBondContact O-CB 3.17Å; K29-K32 PolarHBondContact O-N 3.05Å; A30-K32 PolarHBondContact O-N 3.44Å
33	N	78.2	Confident	83.5	Confident	99 Å²	99	63 Å²	63	53%	0.529	29%	0.288	S	S	.	.	S	Bend	trans	-137.5	64.7	178.5	-65.3	-64	0	0	0	109.2	A30 E35 K36 D37	A30-N33 CarbonylContact O-C 3.37Å; A30-N33 VanDerWaalsContact O-C 3.29Å; A30-N33 PolarHBondContact O-N 3.46Å; N33-E35 PolarHBondContact O-N 3.04Å; N33-E35 VanDerWaalsContact O-N 3.12Å; N33-K36 HydrophobicContact CB-CB 4.41Å; N33-K36 PolarHBondContact O-N 2.85Å; N33-D37 PolarHBondContact O-N 3.43Å
34	T	68.9	Low	83.2	Confident	13 Å²	13	61.8 Å²	61.8	8%	0.08	28%	0.283	C	S	.	.	H	α-helix	trans	-56.2	-35.2	-167.2	-51.6	0	0	0	0	113.3	A30 T31 L38 I41 L72 F74	A30-T34 PolarHBondContact O-N 3.19Å; T31-T34 PolarHBondContact O-OG1 3.35Å; T34-L38 VanDerWaalsContact O-CA 3.26Å; T34-L38 WeakPolarHBondContact O-CA 3.23Å; T34-L38 WeakPolarHBondContact O-CB 3.16Å; T34-L38 PolarHBondContact O-N 3.35Å; T34-I41 HydrophobicContact CG2-CD1 3.69Å; T34-L72 HydrophobicContact CG2-CD2 4.2Å; T34-F74 HydrophobicContact CG2-CE1 3.27Å; T34-F74 HydrophobicContact CG2-CZ 3.24Å
35	E	70.3	Confident	82.5	Confident	134 Å²	134	61.8 Å²	61.8	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-61.4	-48.1	176.2	-173.2	-179.4	174	0	0	112.8	N33 Y78	N33-E35 PolarHBondContact O-N 3.04Å; N33-E35 VanDerWaalsContact O-N 3.12Å; E35-Y78 HydrophobicContact CB-CD1 4.24Å; E35-Y78 HydrophobicContact CB-CE1 3.77Å; E35-Y78 HydrophobicContact CG-CE1 4.47Å
36	K	76.4	Confident	81.6	Confident	178 Å²	178	60.3 Å²	60.3	77%	0.774	28%	0.276	S	S	*	.	H	α-helix	trans	-73.6	-38.1	-177.6	-175.9	174.7	-179.2	175.9	0	112.2	N33	N33-K36 HydrophobicContact CB-CB 4.41Å; N33-K36 PolarHBondContact O-N 2.85Å
37	D	81.4	Confident	81	Confident	49 Å²	49	60.2 Å²	60.2	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-103.6	14.1	-173.5	-69.3	-43.3	0	0	0	113.3	A30 N33 K39 T40 I41	A30-D37 HydrophobicContact CB-CB 3.64Å; N33-D37 PolarHBondContact O-N 3.43Å; D37-K39 VanDerWaalsContact C-N 3.26Å; D37-K39 PolarHBondContact O-N 3.38Å; D37-T40 WeakPolarHBondContact O-CA 3.29Å; D37-T40 VanDerWaalsContact O-CB 3.27Å; D37-T40 WeakPolarHBondContact O-CB 3.3Å; D37-T40 PolarHBondContact O-N 2.9Å; D37-I41 PolarHBondContact O-N 2.99Å
38	L	77.5	Confident	80.8	Confident	14 Å²	14	62 Å²	62	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-54.9	-43.4	179.2	-175.7	66.2	0	0	0	112	T34 T40 I41 I42 F74 V80 S84 I88	T34-L38 VanDerWaalsContact O-CA 3.26Å; T34-L38 WeakPolarHBondContact O-CA 3.23Å; T34-L38 WeakPolarHBondContact O-CB 3.16Å; T34-L38 PolarHBondContact O-N 3.35Å; L38-T40 PolarHBondContact O-N 3.04Å; L38-I41 CarbonylContact O-C 3.58Å; L38-I41 WeakPolarHBondContact O-CB 3.46Å; L38-I41 PolarHBondContact O-N 3.17Å; L38-I42 HydrophobicContact CD1-CD1 4.16Å; L38-I42 HydrophobicContact CD1-CG1 4.19Å; L38-I42 HydrophobicContact CD2-CD1 4Å; L38-I42 HydrophobicContact CG-CD1 3.66Å; L38-I42 HydrophobicContact CG-CG1 4.09Å; L38-I42 WeakPolarHBondContact O-CB 3.21Å; L38-I42 WeakPolarHBondContact O-CG1 3.24Å; L38-I42 PolarHBondContact O-N 3.28Å; L38-F74 HydrophobicContact CD1-CZ 4.13Å; L38-V80 HydrophobicContact CD2-CG1 3.16Å; L38-V80 HydrophobicContact CG-CG1 4.5Å; L38-S84 WeakPolarHBondContact CD2-OG 3.42Å; L38-I88 HydrophobicContact CD1-CD1 4.43Å
39	K	76.8	Confident	80.2	Confident	175 Å²	175	61.5 Å²	61.5	76%	0.761	29%	0.287	S	S	*	.	H	α-helix	trans	-58.1	-34.7	176.5	-172.7	172.2	-175.7	169.7	0	111.8	D37 R43	D37-K39 VanDerWaalsContact C-N 3.26Å; D37-K39 PolarHBondContact O-N 3.38Å; K39-R43 WeakPolarHBondContact O-CB 3.34Å; K39-R43 PolarHBondContact O-N 3.08Å
40	T	83	Confident	79.4	Confident	36 Å²	36	59.2 Å²	59.2	22%	0.221	28%	0.279	C	S	.	.	H	α-helix	trans	-70.1	-44.1	174.7	-65.5	0	0	0	0	111	A30 D37 L38 R43 I44	A30-T40 HydrophobicContact CB-CG2 4.22Å; D37-T40 WeakPolarHBondContact O-CA 3.29Å; D37-T40 VanDerWaalsContact O-CB 3.27Å; D37-T40 WeakPolarHBondContact O-CB 3.3Å; D37-T40 PolarHBondContact O-N 2.9Å; L38-T40 PolarHBondContact O-N 3.04Å; T40-R43 PolarHBondContact O-N 3.11Å; T40-I44 HydrophobicContact CG2-CD1 3.85Å; T40-I44 VanDerWaalsContact O-CG1 3.27Å; T40-I44 WeakPolarHBondContact O-CG1 3.45Å; T40-I44 PolarHBondContact O-N 3.26Å
41	I	82.3	Confident	79.3	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-55.2	176.5	-66.3	160.9	0	0	0	110.1	L27 A30 T31 T34 D37 L38 R43 I44 I45 L72	L27-I41 HydrophobicContact CD2-CB 4.43Å; L27-I41 HydrophobicContact CD2-CG1 4.31Å; L27-I41 HydrophobicContact CD2-CG2 4.2Å; A30-I41 HydrophobicContact CB-CD1 4.01Å; A30-I41 HydrophobicContact CB-CG1 3.55Å; T31-I41 HydrophobicContact CG2-CD1 4.16Å; T34-I41 HydrophobicContact CG2-CD1 3.69Å; D37-I41 PolarHBondContact O-N 2.99Å; L38-I41 CarbonylContact O-C 3.58Å; L38-I41 WeakPolarHBondContact O-CB 3.46Å; L38-I41 PolarHBondContact O-N 3.17Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 2.96Å; I41-I44 PolarHBondContact O-N 2.77Å; I41-I44 VanDerWaalsContact O-N 3.15Å; I41-I45 HydrophobicContact CG2-CD1 3.62Å; I41-I45 HydrophobicContact CG2-CG1 4.36Å; I41-I45 WeakPolarHBondContact O-CG1 3.31Å; I41-I45 PolarHBondContact O-N 2.84Å; I41-L72 HydrophobicContact CD1-CD2 4.07Å; I41-L72 HydrophobicContact CG2-CD1 3.99Å; I41-L72 HydrophobicContact CG2-CD2 3.95Å
42	I	78.6	Confident	79.5	Confident	18 Å²	18	63.3 Å²	63.3	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-54.5	-50.4	178.2	-68.5	172.5	0	0	0	109.7	L38 I44 I45 V46 I87 I91	L38-I42 HydrophobicContact CD1-CD1 4.16Å; L38-I42 HydrophobicContact CD1-CG1 4.19Å; L38-I42 HydrophobicContact CD2-CD1 4Å; L38-I42 HydrophobicContact CG-CD1 3.66Å; L38-I42 HydrophobicContact CG-CG1 4.09Å; L38-I42 WeakPolarHBondContact O-CB 3.21Å; L38-I42 WeakPolarHBondContact O-CG1 3.24Å; L38-I42 PolarHBondContact O-N 3.28Å; I42-I44 VanDerWaalsContact C-N 3.32Å; I42-I44 PolarHBondContact O-N 2.79Å; I42-I45 PolarHBondContact O-N 3.36Å; I42-V46 HydrophobicContact CG2-CG2 3.79Å; I42-V46 WeakPolarHBondContact O-CB 3.46Å; I42-V46 WeakPolarHBondContact O-CG2 3.41Å; I42-V46 PolarHBondContact O-N 2.99Å; I42-I87 HydrophobicContact CD1-CG2 3.95Å; I42-I87 HydrophobicContact CG1-CG2 4.05Å; I42-I87 HydrophobicContact CG2-CG2 3.96Å; I42-I91 HydrophobicContact CG1-CD1 4.1Å
43	R	82	Confident	79.5	Confident	144 Å²	144	57 Å²	57	54%	0.543	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-43.9	-179.8	179	173.5	59.2	163.1	-5.5	112.2	K39 T40 I41 T47	K39-R43 WeakPolarHBondContact O-CB 3.34Å; K39-R43 PolarHBondContact O-N 3.08Å; T40-R43 PolarHBondContact O-N 3.11Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 2.96Å; R43-T47 HydrophobicContact CG-CG2 4.39Å; R43-T47 WeakPolarHBondContact O-CB 3.33Å; R43-T47 VanDerWaalsContact O-CG2 3.23Å; R43-T47 WeakPolarHBondContact O-CG2 3.23Å; R43-T47 PolarHBondContact O-N 3.38Å; R43-T47 PolarHBondContact O-OG1 3.48Å
44	I	85.8	Confident	79.9	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-46.3	178.8	-68	169.1	0	0	0	109.7	F23 K26 L27 T40 I41 I42 V46 T47 R48	F23-I44 HydrophobicContact CB-CG2 4.13Å; F23-I44 HydrophobicContact CD1-CB 4.41Å; F23-I44 HydrophobicContact CD1-CD1 4.3Å; F23-I44 HydrophobicContact CD1-CG1 3.96Å; F23-I44 HydrophobicContact CD1-CG2 3.72Å; F23-I44 HydrophobicContact CE1-CG1 4.37Å; F23-I44 HydrophobicContact CG-CG2 4.25Å; K26-I44 HydrophobicContact CB-CD1 3.64Å; K26-I44 HydrophobicContact CD-CD1 4.29Å; L27-I44 HydrophobicContact CD1-CG2 4.05Å; L27-I44 HydrophobicContact CD2-CB 4.17Å; L27-I44 HydrophobicContact CD2-CD1 4.24Å; L27-I44 HydrophobicContact CD2-CG2 4.07Å; L27-I44 HydrophobicContact CG-CD1 4.22Å; L27-I44 HydrophobicContact CG-CG2 3.97Å; T40-I44 HydrophobicContact CG2-CD1 3.85Å; T40-I44 VanDerWaalsContact O-CG1 3.27Å; T40-I44 WeakPolarHBondContact O-CG1 3.45Å; T40-I44 PolarHBondContact O-N 3.26Å; I41-I44 PolarHBondContact O-N 2.77Å; I41-I44 VanDerWaalsContact O-N 3.15Å; I42-I44 VanDerWaalsContact C-N 3.32Å; I42-I44 PolarHBondContact O-N 2.79Å; I44-V46 PolarHBondContact O-N 3.13Å; I44-T47 PolarHBondContact O-N 3.02Å; I44-T47 PolarHBondContact O-OG1 3.48Å; I44-R48 HydrophobicContact CG2-CG 4.19Å; I44-R48 VanDerWaalsContact O-CB 3.24Å; I44-R48 WeakPolarHBondContact O-CB 3.24Å; I44-R48 WeakPolarHBondContact O-CG 3.25Å; I44-R48 PolarHBondContact O-N 3.38Å
45	I	79.2	Confident	81	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-49.8	-178.5	-65.5	175.4	0	0	0	110.9	I41 I42 T47 R48 C49 M53 L72 I91	I41-I45 HydrophobicContact CG2-CD1 3.62Å; I41-I45 HydrophobicContact CG2-CG1 4.36Å; I41-I45 WeakPolarHBondContact O-CG1 3.31Å; I41-I45 PolarHBondContact O-N 2.84Å; I42-I45 PolarHBondContact O-N 3.36Å; I45-T47 PolarHBondContact O-N 3.49Å; I45-R48 PolarHBondContact O-N 2.72Å; I45-C49 WeakPolarHBondContact O-CA 3.29Å; I45-C49 WeakPolarHBondContact O-CB 3.5Å; I45-C49 PolarHBondContact O-N 3.05Å; I45-M53 HydrophobicContact CB-CE 4.4Å; I45-M53 HydrophobicContact CG1-CE 4.42Å; I45-M53 HydrophobicContact CG2-CE 4.43Å; I45-L72 HydrophobicContact CD1-CD1 3.79Å; I45-I91 HydrophobicContact CB-CD1 4.29Å; I45-I91 HydrophobicContact CB-CG1 4.47Å; I45-I91 HydrophobicContact CD1-CD1 4.24Å; I45-I91 HydrophobicContact CD1-CG2 3.68Å; I45-I91 HydrophobicContact CG2-CB 4.33Å; I45-I91 HydrophobicContact CG2-CD1 4.14Å; I45-I91 HydrophobicContact CG2-CG1 3.77Å; I45-I91 HydrophobicContact CG2-CG2 3.85Å
46	V	74.1	Confident	81.9	Confident	11 Å²	11	53 Å²	53	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-45.9	178.6	176.2	0	0	0	0	111.4	I42 I44 R48 C49 L107	I42-V46 HydrophobicContact CG2-CG2 3.79Å; I42-V46 WeakPolarHBondContact O-CB 3.46Å; I42-V46 WeakPolarHBondContact O-CG2 3.41Å; I42-V46 PolarHBondContact O-N 2.99Å; I44-V46 PolarHBondContact O-N 3.13Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-R48 PolarHBondContact O-N 3.41Å; V46-C49 PolarHBondContact O-SG 3.02Å; V46-L107 HydrophobicContact CB-CD1 4.24Å; V46-L107 HydrophobicContact CG1-CB 4.02Å; V46-L107 HydrophobicContact CG1-CD1 4.32Å; V46-L107 HydrophobicContact CG2-CB 3.95Å; V46-L107 HydrophobicContact CG2-CD1 3.64Å; V46-L107 HydrophobicContact CG2-CD2 4.42Å; V46-L107 HydrophobicContact CG2-CG 4.21Å
47	T	80.7	Confident	82.4	Confident	75 Å²	75	47.5 Å²	47.5	46%	0.46	24%	0.243	S	C	.	.	H	α-helix	trans	-79.1	-17.6	-174.4	57.7	0	0	0	0	113.9	R43 I44 I45	R43-T47 HydrophobicContact CG-CG2 4.39Å; R43-T47 WeakPolarHBondContact O-CB 3.33Å; R43-T47 VanDerWaalsContact O-CG2 3.23Å; R43-T47 WeakPolarHBondContact O-CG2 3.23Å; R43-T47 PolarHBondContact O-N 3.38Å; R43-T47 PolarHBondContact O-OG1 3.48Å; I44-T47 PolarHBondContact O-N 3.02Å; I44-T47 PolarHBondContact O-OG1 3.48Å; I45-T47 PolarHBondContact O-N 3.49Å
48	R	84.3	Confident	82.9	Confident	36 Å²	36	51 Å²	51	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-115.4	-11.8	-174.8	-53.3	-53.1	-65.5	176.7	-7.4	114.3	F23 I44 I45 V46 E50 V51 D52 M53 I56	F23-R48 HydrophobicContact CD1-CG 4.13Å; F23-R48 HydrophobicContact CD2-CG 4.16Å; F23-R48 HydrophobicContact CE1-CG 4.14Å; F23-R48 HydrophobicContact CE2-CG 4.2Å; F23-R48 HydrophobicContact CG-CG 4.14Å; F23-R48 HydrophobicContact CZ-CG 4.18Å; I44-R48 HydrophobicContact CG2-CG 4.19Å; I44-R48 VanDerWaalsContact O-CB 3.24Å; I44-R48 WeakPolarHBondContact O-CB 3.24Å; I44-R48 WeakPolarHBondContact O-CG 3.25Å; I44-R48 PolarHBondContact O-N 3.38Å; I45-R48 PolarHBondContact O-N 2.72Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-R48 PolarHBondContact O-N 3.41Å; R48-E50 VanDerWaalsContact C-N 3.27Å; R48-E50 PolarHBondContact O-N 2.93Å; R48-V51 PolarHBondContact O-N 3.46Å; R48-D52 IonicContact CZ-OD1 3.17Å; R48-D52 IonicContact CZ-OD2 3.61Å; R48-D52 IonicContact NE-OD1 2.66Å; R48-D52 PolarHBondContact NE-OD1 3.19Å; R48-D52 IonicContact NE-OD2 2.72Å; R48-D52 IonicContact NH2-OD1 3.78Å; R48-D52 PolarHBondContact NH2-OD1 3.1Å; R48-D52 IonicContact NH2-OD2 3.66Å; R48-D52 PolarHBondContact NH2-OD2 3.38Å; R48-D52 PolarHBondContact O-N 3.18Å; R48-D52 VanDerWaalsContact O-N 3.16Å; R48-M53 HydrophobicContact CB-CE 3.59Å; R48-M53 WeakPolarHBondContact O-CB 3.44Å; R48-M53 PolarHBondContact O-N 2.59Å; R48-M53 VanDerWaalsContact O-N 3.16Å; R48-I56 HydrophobicContact CB-CD1 3.52Å; R48-I56 HydrophobicContact CG-CD1 3.78Å
49	C	78.7	Confident	83.7	Confident	12 Å²	12	52.2 Å²	52.2	8%	0.081	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-45.2	-179	57.6	0	0	0	0	113.3	I45 V46 I94 A100 C103	I45-C49 WeakPolarHBondContact O-CA 3.29Å; I45-C49 WeakPolarHBondContact O-CB 3.5Å; I45-C49 PolarHBondContact O-N 3.05Å; V46-C49 PolarHBondContact O-SG 3.02Å; C49-I94 HydrophobicContact CB-CG2 3.6Å; C49-A100 HydrophobicContact CB-CB 4.4Å; C49-A100 WeakPolarHBondContact O-CB 3.28Å; C49-C103 HydrophobicContact CB-CB 4.43Å; C49-C103 VanDerWaalsContact SG-CB 3.52Å
50	E	74.5	Confident	84.3	Confident	88 Å²	88	43.9 Å²	43.9	41%	0.411	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.7	-177.7	-74	170.5	-171.8	0	0	114.3	R48 A100 N102 C103 R104	R48-E50 VanDerWaalsContact C-N 3.27Å; R48-E50 PolarHBondContact O-N 2.93Å; E50-A100 VanDerWaalsContact CD-O 3.24Å; E50-A100 HydrophobicContact CG-CB 3.81Å; E50-A100 WeakPolarHBondContact CG-O 3.47Å; E50-N102 WeakPolarHBondContact OE1-CA 3.4Å; E50-N102 PolarHBondContact OE1-N 2.89Å; E50-C103 PolarHBondContact OE1-N 3.28Å; E50-R104 PolarHBondContact OE1-N 3.23Å
51	V	84.9	Confident	84.7	Confident	93 Å²	93	46.1 Å²	46.1	56%	0.564	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-61.7	-170.7	-174.7	0	0	0	0	111.4	R48	R48-V51 PolarHBondContact O-N 3.46Å
52	D	86.6	Confident	85.3	Confident	9 Å²	9	51.3 Å²	51.3	5%	0.048	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	24	-171.5	63.3	-13.5	0	0	0	113	R48 G54 Q55 I56	R48-D52 IonicContact CZ-OD1 3.17Å; R48-D52 IonicContact CZ-OD2 3.61Å; R48-D52 IonicContact NE-OD1 2.66Å; R48-D52 PolarHBondContact NE-OD1 3.19Å; R48-D52 IonicContact NE-OD2 2.72Å; R48-D52 IonicContact NH2-OD1 3.78Å; R48-D52 PolarHBondContact NH2-OD1 3.1Å; R48-D52 IonicContact NH2-OD2 3.66Å; R48-D52 PolarHBondContact NH2-OD2 3.38Å; R48-D52 PolarHBondContact O-N 3.18Å; R48-D52 VanDerWaalsContact O-N 3.16Å; D52-G54 PolarHBondContact O-N 3.11Å; D52-Q55 PolarHBondContact O-N 3.31Å; D52-I56 WeakPolarHBondContact O-CG1 3.41Å; D52-I56 PolarHBondContact O-N 2.86Å; D52-I56 VanDerWaalsContact OD1-CD1 3.27Å; D52-I56 WeakPolarHBondContact OD1-CD1 3.33Å
53	M	85.1	Confident	86	Confident	7 Å²	7	53.7 Å²	53.7	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-33.6	-178.2	-171.5	55	56.8	0	0	113.6	I45 R48 I56 K57 L95	I45-M53 HydrophobicContact CB-CE 4.4Å; I45-M53 HydrophobicContact CG1-CE 4.42Å; I45-M53 HydrophobicContact CG2-CE 4.43Å; R48-M53 HydrophobicContact CB-CE 3.59Å; R48-M53 WeakPolarHBondContact O-CB 3.44Å; R48-M53 PolarHBondContact O-N 2.59Å; R48-M53 VanDerWaalsContact O-N 3.16Å; M53-I56 HydrophobicContact CE-CD1 4.39Å; M53-I56 PolarHBondContact O-N 3.4Å; M53-I56 HydrophobicContact SD-CB 4.41Å; M53-I56 HydrophobicContact SD-CG2 4.42Å; M53-K57 VanDerWaalsContact O-CG 3.29Å; M53-K57 WeakPolarHBondContact O-CG 3.39Å; M53-K57 PolarHBondContact O-N 3.27Å; M53-L95 HydrophobicContact CG-CD2 4.38Å; M53-L95 HydrophobicContact SD-CD2 4.4Å
54	G	86.5	Confident	86.5	Confident	53 Å²	53	51 Å²	51	55%	0.546	27%	0.268	S	S	.	.	H	α-helix	trans	-57.4	-49	173.4	0	0	0	0	0	111.9	D52 K57 E58	D52-G54 PolarHBondContact O-N 3.11Å; G54-K57 PolarHBondContact O-N 2.86Å; G54-E58 PolarHBondContact O-N 3.14Å
55	Q	91.6	Very high	86.7	Confident	108 Å²	108	53.7 Å²	53.7	51%	0.505	30%	0.297	S	S	.	.	H	α-helix	trans	-68.5	-36.8	178.7	-57.6	177.8	-79.4	0	0	111.7	P20 D52 K57 E58 E59	P20-Q55 HydrophobicContact CB-CB 3.77Å; P20-Q55 HydrophobicContact CG-CB 3.63Å; D52-Q55 PolarHBondContact O-N 3.31Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 2.88Å; Q55-E58 PolarHBondContact O-N 3.28Å; Q55-E59 PolarHBondContact O-N 3.2Å
56	I	90.2	Very high	87	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-42.2	175.9	-68.9	167.8	0	0	0	110.9	P20 F23 L27 R48 D52 M53 E58 F60	P20-I56 HydrophobicContact CB-CG1 4.18Å; F23-I56 HydrophobicContact CB-CD1 3.68Å; F23-I56 HydrophobicContact CB-CG1 3.98Å; F23-I56 HydrophobicContact CB-CG2 4.27Å; F23-I56 HydrophobicContact CD2-CD1 4.2Å; F23-I56 HydrophobicContact CG-CD1 4.13Å; L27-I56 HydrophobicContact CD1-CG2 3.6Å; R48-I56 HydrophobicContact CB-CD1 3.52Å; R48-I56 HydrophobicContact CG-CD1 3.78Å; D52-I56 WeakPolarHBondContact O-CG1 3.41Å; D52-I56 PolarHBondContact O-N 2.86Å; D52-I56 VanDerWaalsContact OD1-CD1 3.27Å; D52-I56 WeakPolarHBondContact OD1-CD1 3.33Å; M53-I56 HydrophobicContact CE-CD1 4.39Å; M53-I56 PolarHBondContact O-N 3.4Å; M53-I56 HydrophobicContact SD-CB 4.41Å; M53-I56 HydrophobicContact SD-CG2 4.42Å; I56-E58 VanDerWaalsContact C-N 3.33Å; I56-F60 VanDerWaalsContact O-CB 3.24Å; I56-F60 WeakPolarHBondContact O-CB 3.43Å; I56-F60 PolarHBondContact O-N 3.39Å
57	K	87.1	Confident	87.5	Confident	62 Å²	62	60.7 Å²	60.7	27%	0.27	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-41.8	177.2	-73.7	169.1	-179.3	171.4	0	111.7	M53 G54 Q55 F60 L61 L95	M53-K57 VanDerWaalsContact O-CG 3.29Å; M53-K57 WeakPolarHBondContact O-CG 3.39Å; M53-K57 PolarHBondContact O-N 3.27Å; G54-K57 PolarHBondContact O-N 2.86Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 2.88Å; K57-F60 PolarHBondContact O-N 3.46Å; K57-L61 WeakPolarHBondContact O-CB 3.46Å; K57-L61 PolarHBondContact O-N 2.92Å; K57-L95 VanDerWaalsContact NZ-CA 3.34Å; K57-L95 PolarHBondContact NZ-O 3.48Å
58	E	90.7	Very high	87.4	Confident	122 Å²	122	57.3 Å²	57.3	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-63.2	-50.7	178.2	-171.9	-176.2	171.8	0	0	111.1	G54 Q55 I56 F60 L61 N62	G54-E58 PolarHBondContact O-N 3.14Å; Q55-E58 PolarHBondContact O-N 3.28Å; I56-E58 VanDerWaalsContact C-N 3.33Å; E58-F60 VanDerWaalsContact C-N 3.31Å; E58-F60 PolarHBondContact O-N 3.26Å; E58-L61 PolarHBondContact O-N 3.03Å; E58-N62 WeakPolarHBondContact O-CB 3.5Å; E58-N62 PolarHBondContact O-N 3.46Å; E58-N62 PolarHBondContact O-ND2 3.17Å
59	E	93.9	Very high	87	Confident	40 Å²	40	59.7 Å²	59.7	19%	0.187	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-38.1	175.6	-74	-78.5	-169.7	0	0	112.3	N18 P20 R21 A24 Q55 N62 L63	N18-E59 PolarHBondContact ND2-OE1 3.11Å; P20-E59 HydrophobicContact CB-CG 3.96Å; R21-E59 HydrophobicContact CB-CG 4.22Å; A24-E59 HydrophobicContact CB-CB 3.81Å; Q55-E59 PolarHBondContact O-N 3.2Å; E59-N62 PolarHBondContact O-N 3Å; E59-L63 WeakPolarHBondContact O-CB 3.35Å; E59-L63 VanDerWaalsContact O-CG 3.29Å; E59-L63 WeakPolarHBondContact O-CG 3.22Å; E59-L63 PolarHBondContact O-N 3.18Å
60	F	90.7	Very high	86.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-46.1	175.4	-174.3	-79.8	0	0	0	111.2	A24 L27 I28 T31 I56 K57 E58 L63 Y64 K66 L68 C71	A24-F60 HydrophobicContact CB-CB 4.03Å; L27-F60 HydrophobicContact CB-CD2 3.69Å; L27-F60 HydrophobicContact CB-CE2 3.66Å; L27-F60 HydrophobicContact CD1-CD2 4.48Å; I28-F60 HydrophobicContact CB-CE2 4.27Å; I28-F60 HydrophobicContact CD1-CD2 4.39Å; I28-F60 HydrophobicContact CG1-CD2 3.61Å; I28-F60 HydrophobicContact CG1-CE2 3.44Å; I28-F60 VanDerWaalsContact CG1-CE2 3.44Å; I28-F60 HydrophobicContact CG1-CG 4.36Å; I28-F60 HydrophobicContact CG1-CZ 4.05Å; T31-F60 HydrophobicContact CG2-CE2 4.46Å; T31-F60 HydrophobicContact CG2-CZ 4.36Å; I56-F60 VanDerWaalsContact O-CB 3.24Å; I56-F60 WeakPolarHBondContact O-CB 3.43Å; I56-F60 PolarHBondContact O-N 3.39Å; K57-F60 PolarHBondContact O-N 3.46Å; E58-F60 VanDerWaalsContact C-N 3.31Å; E58-F60 PolarHBondContact O-N 3.26Å; F60-L63 PolarHBondContact O-N 3.34Å; F60-Y64 AromaticContact CE1-CD1 3.74Å; F60-Y64 HydrophobicContact CE1-CD1 3.74Å; F60-Y64 HydrophobicContact CE1-CG 4.33Å; F60-Y64 AromaticContact CZ-CD1 3.9Å; F60-Y64 HydrophobicContact CZ-CD1 3.9Å; F60-Y64 HydrophobicContact CZ-CG 4.42Å; F60-Y64 VanDerWaalsContact O-CB 3.24Å; F60-Y64 WeakPolarHBondContact O-CB 3.32Å; F60-Y64 PolarHBondContact O-N 2.88Å; F60-K66 VanDerWaalsContact CD1-O 3.25Å; F60-K66 WeakPolarHBondContact CD1-O 3.15Å; F60-K66 VanDerWaalsContact CE1-O 3.24Å; F60-K66 WeakPolarHBondContact CE1-O 3.48Å; F60-L68 HydrophobicContact CD1-CB 4.03Å; F60-L68 HydrophobicContact CD2-CD1 4.21Å; F60-L68 HydrophobicContact CE1-CB 4.22Å; F60-L68 HydrophobicContact CE1-CD1 4.43Å; F60-L68 HydrophobicContact CE2-CD1 3.88Å; F60-L68 HydrophobicContact CG-CB 4.29Å; F60-L68 HydrophobicContact CZ-CD1 4.01Å; F60-C71 HydrophobicContact CE1-CB 4.46Å; F60-C71 HydrophobicContact CZ-CB 4.22Å
61	L	91.7	Very high	86.9	Confident	84 Å²	84	60 Å²	60	44%	0.44	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-44.5	176.6	-178.3	63.5	0	0	0	111.1	K57 E58 L63 G65	K57-L61 WeakPolarHBondContact O-CB 3.46Å; K57-L61 PolarHBondContact O-N 2.92Å; E58-L61 PolarHBondContact O-N 3.03Å; L61-L63 VanDerWaalsContact C-N 3.34Å; L61-L63 PolarHBondContact O-N 3.14Å; L61-G65 VanDerWaalsContact O-CA 3.27Å; L61-G65 WeakPolarHBondContact O-CA 3.45Å; L61-G65 PolarHBondContact O-N 3.4Å
62	N	94.4	Very high	86.1	Confident	111 Å²	111	55.8 Å²	55.8	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-63.4	-38.2	179.6	-69.1	-18.9	0	0	0	112.6	E58 E59	E58-N62 WeakPolarHBondContact O-CB 3.5Å; E58-N62 PolarHBondContact O-N 3.46Å; E58-N62 PolarHBondContact O-ND2 3.17Å; E59-N62 PolarHBondContact O-N 3Å
63	L	93.4	Very high	84.9	Confident	67 Å²	67	60.8 Å²	60.8	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-82.9	-36	-178.7	-72.7	177	0	0	0	113.9	R21 A24 E25 I28 E59 F60 L61	R21-L63 HydrophobicContact CG-CD1 3.96Å; A24-L63 HydrophobicContact CB-CD1 4.31Å; E25-L63 HydrophobicContact CG-CD1 3.87Å; I28-L63 HydrophobicContact CD1-CB 3.59Å; I28-L63 HydrophobicContact CD1-CD1 4.09Å; E59-L63 WeakPolarHBondContact O-CB 3.35Å; E59-L63 VanDerWaalsContact O-CG 3.29Å; E59-L63 WeakPolarHBondContact O-CG 3.22Å; E59-L63 PolarHBondContact O-N 3.18Å; F60-L63 PolarHBondContact O-N 3.34Å; L61-L63 VanDerWaalsContact C-N 3.34Å; L61-L63 PolarHBondContact O-N 3.14Å
64	Y	91.3	Very high	83.4	Confident	89 Å²	89	62.2 Å²	62.2	35%	0.349	33%	0.329	S	S	.	.	H	α-helix	trans	-107.3	-19.3	-170.1	-165.4	-123	0	0	0	113.9	I28 F60 K66 C71	I28-Y64 HydrophobicContact CG1-CD2 4.36Å; I28-Y64 HydrophobicContact CG1-CG 4.17Å; I28-Y64 HydrophobicContact CG2-CD2 3.79Å; I28-Y64 HydrophobicContact CG2-CE2 4.21Å; I28-Y64 HydrophobicContact CG2-CG 4.41Å; F60-Y64 AromaticContact CE1-CD1 3.74Å; F60-Y64 HydrophobicContact CE1-CD1 3.74Å; F60-Y64 HydrophobicContact CE1-CG 4.33Å; F60-Y64 AromaticContact CZ-CD1 3.9Å; F60-Y64 HydrophobicContact CZ-CD1 3.9Å; F60-Y64 HydrophobicContact CZ-CG 4.42Å; F60-Y64 VanDerWaalsContact O-CB 3.24Å; F60-Y64 WeakPolarHBondContact O-CB 3.32Å; F60-Y64 PolarHBondContact O-N 2.88Å; Y64-K66 HydrophobicContact CD1-CB 3.86Å; Y64-K66 HydrophobicContact CD1-CG 4.39Å; Y64-K66 HydrophobicContact CE1-CB 4.1Å; Y64-K66 HydrophobicContact CE1-CD 4.06Å; Y64-K66 HydrophobicContact CE1-CG 4.34Å; Y64-K66 PolarHBondContact O-N 2.89Å; Y64-C71 WeakPolarHBondContact CE1-SG 3.44Å
65	G	90	Very high	81.6	Confident	61 Å²	61	66.4 Å²	66.4	63%	0.629	34%	0.339	S	S	*	.	S	Bend	trans	73.7	1.2	-178.1	0	0	0	0	0	114.7	L61	L61-G65 VanDerWaalsContact O-CA 3.27Å; L61-G65 WeakPolarHBondContact O-CA 3.45Å; L61-G65 PolarHBondContact O-N 3.4Å
66	K	86.8	Confident	79.4	Confident	122 Å²	122	69.8 Å²	69.8	53%	0.53	36%	0.36	S	S	.	.	S	Bend	trans	-125.2	146.6	173.4	-60.6	-176.4	179.7	-178.5	0	109.6	F60 Y64	F60-K66 VanDerWaalsContact CD1-O 3.25Å; F60-K66 WeakPolarHBondContact CD1-O 3.15Å; F60-K66 VanDerWaalsContact CE1-O 3.24Å; F60-K66 WeakPolarHBondContact CE1-O 3.48Å; Y64-K66 HydrophobicContact CD1-CB 3.86Å; Y64-K66 HydrophobicContact CD1-CG 4.39Å; Y64-K66 HydrophobicContact CE1-CB 4.1Å; Y64-K66 HydrophobicContact CE1-CD 4.06Å; Y64-K66 HydrophobicContact CE1-CG 4.34Å; Y64-K66 PolarHBondContact O-N 2.89Å
67	S	84	Confident	77.2	Confident	36 Å²	36	73 Å²	73	25%	0.252	39%	0.394	S	S	.	.			trans	-69.4	147.5	176.9	81.3	0	0	0	0	110.4	K69 D70 C71	S67-K69 PolarHBondContact O-N 3.46Å; S67-D70 WeakPolarHBondContact CB-OD2 3.13Å; S67-D70 PolarHBondContact O-N 2.78Å; S67-D70 PolarHBondContact OG-N 3.48Å; S67-D70 PolarHBondContact OG-OD2 3.3Å; S67-C71 PolarHBondContact O-N 3.44Å; S67-C71 VanDerWaalsContact O-N 3.11Å; S67-C71 PolarHBondContact O-SG 2.85Å; S67-C71 VanDerWaalsContact O-SG 3.4Å
68	L	79.6	Confident	75.1	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.021	40%	0.403	C	S	.	.	H	α-helix	trans	-55.4	-35.1	173.8	179.7	62.2	0	0	0	111.3	L27 T31 F60 C71 L72 L95	L27-L68 HydrophobicContact CB-CD1 4.37Å; L27-L68 HydrophobicContact CD1-CD1 4.17Å; L27-L68 HydrophobicContact CD1-CD2 3.87Å; L27-L68 HydrophobicContact CD2-CD1 4.31Å; T31-L68 HydrophobicContact CG2-CD1 4.31Å; F60-L68 HydrophobicContact CD1-CB 4.03Å; F60-L68 HydrophobicContact CD2-CD1 4.21Å; F60-L68 HydrophobicContact CE1-CB 4.22Å; F60-L68 HydrophobicContact CE1-CD1 4.43Å; F60-L68 HydrophobicContact CE2-CD1 3.88Å; F60-L68 HydrophobicContact CG-CB 4.29Å; F60-L68 HydrophobicContact CZ-CD1 4.01Å; L68-C71 PolarHBondContact O-N 3.44Å; L68-L72 HydrophobicContact CD1-CD1 3.84Å; L68-L72 HydrophobicContact CD1-CG 4.14Å; L68-L72 HydrophobicContact CG-CD1 3.93Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 2.86Å; L68-L72 VanDerWaalsContact O-N 3.1Å; L68-L95 HydrophobicContact CD2-CD2 4.23Å
69	K	76.3	Confident	72.7	Confident	86 Å²	86	76.7 Å²	76.7	37%	0.374	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-47.1	175.4	-177.4	-176.3	174.7	-172.5	0	111	S67 C71 L72 K73 L96	S67-K69 PolarHBondContact O-N 3.46Å; K69-C71 VanDerWaalsContact C-N 3.32Å; K69-C71 PolarHBondContact O-N 2.9Å; K69-L72 CarbonylContact O-C 3.54Å; K69-L72 PolarHBondContact O-N 3.49Å; K69-K73 WeakPolarHBondContact O-CG 3.48Å; K69-K73 PolarHBondContact O-N 3.19Å; K69-L96 HydrophobicContact CD-CD2 3.99Å; K69-L96 VanDerWaalsContact NZ-CD2 3.28Å
70	D	76.3	Confident	70.5	Confident	77 Å²	77	75.5 Å²	75.5	41%	0.412	41%	0.408	S	S	.	.	H	α-helix	trans	-67.9	-32.8	-179.2	-60.9	-45	0	0	0	112.4	S67 L72 K73	S67-D70 WeakPolarHBondContact CB-OD2 3.13Å; S67-D70 PolarHBondContact O-N 2.78Å; S67-D70 PolarHBondContact OG-N 3.48Å; S67-D70 PolarHBondContact OG-OD2 3.3Å; D70-L72 VanDerWaalsContact C-N 3.26Å; D70-L72 PolarHBondContact O-N 3.04Å; D70-K73 PolarHBondContact O-N 3.42Å; D70-K73 VanDerWaalsContact OD1-CE 3.23Å; D70-K73 WeakPolarHBondContact OD1-CE 3.06Å; D70-K73 IonicContact OD1-NZ 2.96Å; D70-K73 PolarHBondContact OD1-NZ 3.19Å
71	C	73.4	Confident	68.2	Low	28 Å²	28	80.7 Å²	80.7	19%	0.189	44%	0.436	C	S	.	.	H	α-helix	trans	-70.7	-24	174.5	-61.1	0	0	0	0	113.3	T31 F60 Y64 S67 L68 K69	T31-C71 HydrophobicContact CG2-CB 4.08Å; F60-C71 HydrophobicContact CE1-CB 4.46Å; F60-C71 HydrophobicContact CZ-CB 4.22Å; Y64-C71 WeakPolarHBondContact CE1-SG 3.44Å; S67-C71 PolarHBondContact O-N 3.44Å; S67-C71 VanDerWaalsContact O-N 3.11Å; S67-C71 PolarHBondContact O-SG 2.85Å; S67-C71 VanDerWaalsContact O-SG 3.4Å; L68-C71 PolarHBondContact O-N 3.44Å; K69-C71 VanDerWaalsContact C-N 3.32Å; K69-C71 PolarHBondContact O-N 2.9Å
72	L	69	Low	66	Low	6 Å²	6	84.9 Å²	84.9	3%	0.031	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	10	178.5	-60.6	179	0	0	0	112.4	T31 T34 I41 I45 L68 K69 D70 F74 L95	T31-L72 HydrophobicContact CG2-CD2 4.06Å; T34-L72 HydrophobicContact CG2-CD2 4.2Å; I41-L72 HydrophobicContact CD1-CD2 4.07Å; I41-L72 HydrophobicContact CG2-CD1 3.99Å; I41-L72 HydrophobicContact CG2-CD2 3.95Å; I45-L72 HydrophobicContact CD1-CD1 3.79Å; L68-L72 HydrophobicContact CD1-CD1 3.84Å; L68-L72 HydrophobicContact CD1-CG 4.14Å; L68-L72 HydrophobicContact CG-CD1 3.93Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 2.86Å; L68-L72 VanDerWaalsContact O-N 3.1Å; K69-L72 CarbonylContact O-C 3.54Å; K69-L72 PolarHBondContact O-N 3.49Å; D70-L72 VanDerWaalsContact C-N 3.26Å; D70-L72 PolarHBondContact O-N 3.04Å; L72-F74 HydrophobicContact CB-CE2 4.14Å; L72-F74 HydrophobicContact CD2-CE2 4.21Å; L72-F74 HydrophobicContact CD2-CZ 4.18Å; L72-F74 WeakPolarHBondContact O-CD2 3.42Å; L72-F74 WeakPolarHBondContact O-CE2 3.25Å; L72-F74 PolarHBondContact O-N 2.86Å; L72-L95 HydrophobicContact CD1-CD1 4.45Å
73	K	60	Low	63.5	Low	113 Å²	113	85.3 Å²	85.3	49%	0.491	45%	0.451	S	S	.	.			trans	-68.5	87.2	166.8	-82.4	176.9	-179.6	165.6	0	107.4	K69 D70 D75	K69-K73 WeakPolarHBondContact O-CG 3.48Å; K69-K73 PolarHBondContact O-N 3.19Å; D70-K73 PolarHBondContact O-N 3.42Å; D70-K73 VanDerWaalsContact OD1-CE 3.23Å; D70-K73 WeakPolarHBondContact OD1-CE 3.06Å; D70-K73 IonicContact OD1-NZ 2.96Å; D70-K73 PolarHBondContact OD1-NZ 3.19Å; K73-D75 PolarHBondContact O-N 2.82Å
74	F	54.3	Low	61.3	Low	37 Å²	37	83 Å²	83	16%	0.162	44%	0.441	C	S	.	.			trans	-74.1	81.8	166.7	-56.7	-84.8	0	0	0	106.6	T34 L38 L72 N76 Y78 V80 I88	T34-F74 HydrophobicContact CG2-CE1 3.27Å; T34-F74 HydrophobicContact CG2-CZ 3.24Å; L38-F74 HydrophobicContact CD1-CZ 4.13Å; L72-F74 HydrophobicContact CB-CE2 4.14Å; L72-F74 HydrophobicContact CD2-CE2 4.21Å; L72-F74 HydrophobicContact CD2-CZ 4.18Å; L72-F74 WeakPolarHBondContact O-CD2 3.42Å; L72-F74 WeakPolarHBondContact O-CE2 3.25Å; L72-F74 PolarHBondContact O-N 2.86Å; F74-N76 PolarHBondContact O-N 3.32Å; F74-Y78 HydrophobicContact CD1-CD2 4.35Å; F74-Y78 HydrophobicContact CD1-CG 4.13Å; F74-V80 HydrophobicContact CD1-CG2 4.09Å; F74-V80 HydrophobicContact CE1-CG2 4.11Å; F74-I88 HydrophobicContact CD2-CD1 3.84Å; F74-I88 HydrophobicContact CD2-CG1 4.43Å; F74-I88 HydrophobicContact CD2-CG2 3.9Å; F74-I88 HydrophobicContact CE2-CD1 3.57Å; F74-I88 HydrophobicContact CE2-CG1 4Å; F74-I88 HydrophobicContact CE2-CG2 4.11Å; F74-I88 HydrophobicContact CZ-CD1 4.03Å
75	D	48.9	Very low	59.4	Low	141 Å²	141	81.7 Å²	81.7	75%	0.754	44%	0.44	S	S	*	.			trans	-64	86.9	169.8	-80.5	-16.5	0	0	0	107.6	K73 G77	K73-D75 PolarHBondContact O-N 2.82Å; D75-G77 PolarHBondContact O-N 2.88Å
76	N	44.5	Very low	57.7	Low	179 Å²	179	84.1 Å²	84.1	96%	0.957	44%	0.435	S	S	*	.	S	Bend	trans	42	9.6	163.8	-67.4	-10.8	0	0	0	119.6	F74	F74-N76 PolarHBondContact O-N 3.32Å
77	G	44.3	Very low	56.2	Low	69 Å²	69	79 Å²	79	71%	0.711	41%	0.413	S	S	*	.			trans	-126	-8.1	-168.9	0	0	0	0	0	113.8	D75	D75-G77 PolarHBondContact O-N 2.88Å
78	Y	43.5	Very low	54.9	Low	118 Å²	118	78 Å²	78	46%	0.463	41%	0.405	S	S	.	.	S	Bend	trans	-85.9	116.7	167.1	-107	-76.8	0	0	0	108.5	E35 F74 V80	E35-Y78 HydrophobicContact CB-CD1 4.24Å; E35-Y78 HydrophobicContact CB-CE1 3.77Å; E35-Y78 HydrophobicContact CG-CE1 4.47Å; F74-Y78 HydrophobicContact CD1-CD2 4.35Å; F74-Y78 HydrophobicContact CD1-CG 4.13Å; Y78-V80 PolarHBondContact O-N 2.97Å
79	N	41.3	Very low	53.9	Low	142 Å²	142	84.3 Å²	84.3	76%	0.759	43%	0.434	S	S	*	.			trans	-68.6	66.7	169.9	-172.7	9.4	0	0	0	109.3
80	V	47.1	Very low	53.3	Low	15 Å²	15	81.4 Å²	81.4	9%	0.091	42%	0.424	C	S	.	.			trans	-84.1	128.3	166.4	-148.7	0	0	0	0	106.4	L38 F74 Y78 E82 N85 I88	L38-V80 HydrophobicContact CD2-CG1 3.16Å; L38-V80 HydrophobicContact CG-CG1 4.5Å; F74-V80 HydrophobicContact CD1-CG2 4.09Å; F74-V80 HydrophobicContact CE1-CG2 4.11Å; Y78-V80 PolarHBondContact O-N 2.97Å; V80-E82 PolarHBondContact O-N 3.15Å; V80-N85 PolarHBondContact O-ND2 3.44Å; V80-I88 HydrophobicContact CB-CD1 4.44Å; V80-I88 HydrophobicContact CG1-CD1 4.31Å; V80-I88 HydrophobicContact CG2-CD1 4.29Å
81	N	43.1	Very low	52.6	Low	110 Å²	110	78 Å²	78	59%	0.588	41%	0.406	S	S	*	.			trans	-44.1	141.7	176.6	-59.4	-7.6	0	0	0	110.2	E83 S84 N85	N81-E83 PolarHBondContact O-N 2.69Å; N81-S84 WeakPolarHBondContact O-CA 2.94Å; N81-S84 VanDerWaalsContact O-CB 3.24Å; N81-S84 WeakPolarHBondContact O-CB 3.36Å; N81-S84 PolarHBondContact O-N 2.96Å; N81-N85 PolarHBondContact O-N 3.36Å
82	E	44.9	Very low	51.9	Low	171 Å²	171	78.9 Å²	78.9	80%	0.799	41%	0.409	S	S	*	.	H	α-helix	trans	-49.7	-37.8	-175.9	-74.2	-172.2	147.9	0	0	113.7	V80 S84 N85 Q86	V80-E82 PolarHBondContact O-N 3.15Å; E82-S84 PolarHBondContact O-N 3.44Å; E82-N85 WeakPolarHBondContact O-CB 3.49Å; E82-N85 PolarHBondContact O-N 2.99Å; E82-Q86 PolarHBondContact O-N 2.82Å; E82-Q86 VanDerWaalsContact O-N 3.1Å
83	E	42.3	Very low	51.5	Low	121 Å²	121	84.9 Å²	84.9	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-52.6	-43.5	173.4	-68.4	168.7	-170.9	0	0	112.2	N81 I87	N81-E83 PolarHBondContact O-N 2.69Å; E83-I87 WeakPolarHBondContact O-CD1 3.23Å; E83-I87 VanDerWaalsContact O-CG1 3.29Å; E83-I87 WeakPolarHBondContact O-CG1 3.35Å; E83-I87 PolarHBondContact O-N 3.04Å; E83-I87 VanDerWaalsContact O-N 3.14Å
84	S	47.3	Very low	51.5	Low	19 Å²	19	80 Å²	80	13%	0.133	42%	0.416	C	S	.	.	H	α-helix	trans	-70.8	-34.1	177.1	-65	0	0	0	0	112.1	L38 N81 E82 Q86 I87 I88	L38-S84 WeakPolarHBondContact CD2-OG 3.42Å; N81-S84 WeakPolarHBondContact O-CA 2.94Å; N81-S84 VanDerWaalsContact O-CB 3.24Å; N81-S84 WeakPolarHBondContact O-CB 3.36Å; N81-S84 PolarHBondContact O-N 2.96Å; E82-S84 PolarHBondContact O-N 3.44Å; S84-Q86 VanDerWaalsContact C-N 3.33Å; S84-Q86 PolarHBondContact O-N 3.46Å; S84-I87 CarbonylContact O-C 3.29Å; S84-I87 PolarHBondContact O-N 3.2Å; S84-I88 VanDerWaalsContact O-CB 3.28Å; S84-I88 WeakPolarHBondContact O-CB 3.41Å; S84-I88 VanDerWaalsContact O-CD1 3.3Å; S84-I88 WeakPolarHBondContact O-CD1 3.27Å; S84-I88 WeakPolarHBondContact O-CG1 3.46Å; S84-I88 PolarHBondContact O-N 2.79Å
85	N	49.7	Very low	51.7	Low	61 Å²	61	79.1 Å²	79.1	33%	0.326	41%	0.413	S	S	.	.	H	α-helix	trans	-63.7	-40.7	177.1	-72.2	-29.7	0	0	0	111.4	V80 N81 E82 I88 Q89	V80-N85 PolarHBondContact O-ND2 3.44Å; N81-N85 PolarHBondContact O-N 3.36Å; E82-N85 WeakPolarHBondContact O-CB 3.49Å; E82-N85 PolarHBondContact O-N 2.99Å; N85-I88 PolarHBondContact O-N 3.06Å; N85-Q89 WeakPolarHBondContact O-CG 3.41Å; N85-Q89 PolarHBondContact O-N 2.97Å
86	Q	54.5	Low	52.1	Low	111 Å²	111	77.8 Å²	77.8	52%	0.519	41%	0.405	S	S	.	.	H	α-helix	trans	-67	-39.7	176.2	-163.2	170.2	32.5	0	0	111.8	E82 S84 S90 L110	E82-Q86 PolarHBondContact O-N 2.82Å; E82-Q86 VanDerWaalsContact O-N 3.1Å; S84-Q86 VanDerWaalsContact C-N 3.33Å; S84-Q86 PolarHBondContact O-N 3.46Å; Q86-S90 WeakPolarHBondContact O-CB 3.41Å; Q86-S90 PolarHBondContact O-N 3.32Å; Q86-S90 PolarHBondContact O-OG 2.8Å; Q86-L110 HydrophobicContact CG-CD2 4.35Å
87	I	56	Low	52.5	Low	14 Å²	14	72.4 Å²	72.4	7%	0.072	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-41.4	172.2	-68.4	165.9	0	0	0	110.9	I42 E83 S84 S90 I91 L107 L110	I42-I87 HydrophobicContact CD1-CG2 3.95Å; I42-I87 HydrophobicContact CG1-CG2 4.05Å; I42-I87 HydrophobicContact CG2-CG2 3.96Å; E83-I87 WeakPolarHBondContact O-CD1 3.23Å; E83-I87 VanDerWaalsContact O-CG1 3.29Å; E83-I87 WeakPolarHBondContact O-CG1 3.35Å; E83-I87 PolarHBondContact O-N 3.04Å; E83-I87 VanDerWaalsContact O-N 3.14Å; S84-I87 CarbonylContact O-C 3.29Å; S84-I87 PolarHBondContact O-N 3.2Å; I87-S90 CarbonylContact O-C 3.6Å; I87-S90 WeakPolarHBondContact O-CB 3.39Å; I87-S90 PolarHBondContact O-N 2.81Å; I87-I91 HydrophobicContact CG2-CD1 3.75Å; I87-I91 HydrophobicContact CG2-CG1 4.33Å; I87-I91 WeakPolarHBondContact O-CB 3.33Å; I87-I91 VanDerWaalsContact O-CG1 3.25Å; I87-I91 WeakPolarHBondContact O-CG1 3.41Å; I87-I91 PolarHBondContact O-N 2.95Å; I87-L107 HydrophobicContact CG2-CD2 3.98Å; I87-L110 HydrophobicContact CD1-CB 4.1Å; I87-L110 HydrophobicContact CG1-CB 3.75Å; I87-L110 HydrophobicContact CG1-CD1 3.93Å; I87-L110 HydrophobicContact CG1-CD2 4.26Å; I87-L110 HydrophobicContact CG1-CG 4.2Å
88	I	55.6	Low	52.8	Low	15 Å²	15	70.3 Å²	70.3	8%	0.077	37%	0.371	C	S	.	.	H	α-helix	trans	-66.2	-42.6	179.3	-72.9	159.9	0	0	0	110.8	L38 F74 V80 S84 N85 S90 I91 N92	L38-I88 HydrophobicContact CD1-CD1 4.43Å; F74-I88 HydrophobicContact CD2-CD1 3.84Å; F74-I88 HydrophobicContact CD2-CG1 4.43Å; F74-I88 HydrophobicContact CD2-CG2 3.9Å; F74-I88 HydrophobicContact CE2-CD1 3.57Å; F74-I88 HydrophobicContact CE2-CG1 4Å; F74-I88 HydrophobicContact CE2-CG2 4.11Å; F74-I88 HydrophobicContact CZ-CD1 4.03Å; V80-I88 HydrophobicContact CB-CD1 4.44Å; V80-I88 HydrophobicContact CG1-CD1 4.31Å; V80-I88 HydrophobicContact CG2-CD1 4.29Å; S84-I88 VanDerWaalsContact O-CB 3.28Å; S84-I88 WeakPolarHBondContact O-CB 3.41Å; S84-I88 VanDerWaalsContact O-CD1 3.3Å; S84-I88 WeakPolarHBondContact O-CD1 3.27Å; S84-I88 WeakPolarHBondContact O-CG1 3.46Å; S84-I88 PolarHBondContact O-N 2.79Å; N85-I88 PolarHBondContact O-N 3.06Å; I88-S90 VanDerWaalsContact C-N 3.31Å; I88-S90 PolarHBondContact O-N 3.14Å; I88-I91 CarbonylContact O-C 3.6Å; I88-I91 WeakPolarHBondContact O-CB 3.07Å; I88-I91 PolarHBondContact O-N 3.42Å; I88-N92 PolarHBondContact O-N 3.47Å; I88-N92 PolarHBondContact O-ND2 3.3Å
89	Q	59.6	Low	53.1	Low	138 Å²	138	71 Å²	71	65%	0.645	38%	0.378	S	S	*	.	H	α-helix	trans	-60.9	-43.5	174.1	-75.6	178.6	-0.6	0	0	111	N85 I91 N92 H93	N85-Q89 WeakPolarHBondContact O-CG 3.41Å; N85-Q89 PolarHBondContact O-N 2.97Å; Q89-I91 VanDerWaalsContact C-N 3.34Å; Q89-I91 PolarHBondContact O-N 3.25Å; Q89-N92 PolarHBondContact O-N 3.46Å; Q89-H93 PolarHBondContact O-N 3.17Å; Q89-H93 VanDerWaalsContact O-N 3.08Å
90	S	62.6	Low	53.5	Low	24 Å²	24	65.3 Å²	65.3	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-44.1	173.5	-56.4	0	0	0	0	111	Q86 I87 I88 N92 H93 I94	Q86-S90 WeakPolarHBondContact O-CB 3.41Å; Q86-S90 PolarHBondContact O-N 3.32Å; Q86-S90 PolarHBondContact O-OG 2.8Å; I87-S90 CarbonylContact O-C 3.6Å; I87-S90 WeakPolarHBondContact O-CB 3.39Å; I87-S90 PolarHBondContact O-N 2.81Å; I88-S90 VanDerWaalsContact C-N 3.31Å; I88-S90 PolarHBondContact O-N 3.14Å; S90-N92 PolarHBondContact O-N 3.02Å; S90-H93 WeakPolarHBondContact O-CB 3.41Å; S90-H93 PolarHBondContact O-N 3.37Å; S90-I94 VanDerWaalsContact O-CG1 3.23Å; S90-I94 WeakPolarHBondContact O-CG1 3.47Å; S90-I94 PolarHBondContact O-N 3.27Å
91	I	62.2	Low	53.8	Low	6 Å²	6	73 Å²	73	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-60.6	-44.1	174.8	-75.8	169.5	0	0	0	111.5	I42 I45 I87 I88 Q89 H93 I94 L95	I42-I91 HydrophobicContact CG1-CD1 4.1Å; I45-I91 HydrophobicContact CB-CD1 4.29Å; I45-I91 HydrophobicContact CB-CG1 4.47Å; I45-I91 HydrophobicContact CD1-CD1 4.24Å; I45-I91 HydrophobicContact CD1-CG2 3.68Å; I45-I91 HydrophobicContact CG2-CB 4.33Å; I45-I91 HydrophobicContact CG2-CD1 4.14Å; I45-I91 HydrophobicContact CG2-CG1 3.77Å; I45-I91 HydrophobicContact CG2-CG2 3.85Å; I87-I91 HydrophobicContact CG2-CD1 3.75Å; I87-I91 HydrophobicContact CG2-CG1 4.33Å; I87-I91 WeakPolarHBondContact O-CB 3.33Å; I87-I91 VanDerWaalsContact O-CG1 3.25Å; I87-I91 WeakPolarHBondContact O-CG1 3.41Å; I87-I91 PolarHBondContact O-N 2.95Å; I88-I91 CarbonylContact O-C 3.6Å; I88-I91 WeakPolarHBondContact O-CB 3.07Å; I88-I91 PolarHBondContact O-N 3.42Å; Q89-I91 VanDerWaalsContact C-N 3.34Å; Q89-I91 PolarHBondContact O-N 3.25Å; I91-H93 VanDerWaalsContact C-N 3.29Å; I91-H93 PolarHBondContact O-N 3.07Å; I91-I94 CarbonylContact O-C 3.59Å; I91-I94 WeakPolarHBondContact O-CA 3.3Å; I91-I94 VanDerWaalsContact O-CB 3.3Å; I91-I94 WeakPolarHBondContact O-CB 3.33Å; I91-I94 PolarHBondContact O-N 2.74Å; I91-L95 HydrophobicContact CG2-CD1 3.72Å; I91-L95 HydrophobicContact CG2-CG 3.98Å; I91-L95 VanDerWaalsContact O-CG 3.29Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 2.98Å
92	N	59.9	Low	54.3	Low	47 Å²	47	73.2 Å²	73.2	25%	0.251	38%	0.379	S	S	.	.	H	α-helix	trans	-60.4	-41.3	178.3	-81.1	-35.8	0	0	0	111.1	I88 Q89 S90 I94 L95 L96	I88-N92 PolarHBondContact O-N 3.47Å; I88-N92 PolarHBondContact O-ND2 3.3Å; Q89-N92 PolarHBondContact O-N 3.46Å; S90-N92 PolarHBondContact O-N 3.02Å; N92-I94 VanDerWaalsContact C-N 3.27Å; N92-I94 PolarHBondContact O-N 3.3Å; N92-L95 PolarHBondContact O-N 3.27Å; N92-L95 VanDerWaalsContact O-N 3.11Å; N92-L96 WeakPolarHBondContact O-CB 3.07Å; N92-L96 WeakPolarHBondContact O-CG 3.48Å; N92-L96 PolarHBondContact O-N 3.15Å
93	H	60.8	Low	54.8	Low	132 Å²	132	65.7 Å²	65.7	61%	0.611	35%	0.345	S	S	*	.	H	α-helix	trans	-58	-40.7	173.6	-172.9	-88.4	0	0	0	112.1	Q89 S90 I91 L96 G98	Q89-H93 PolarHBondContact O-N 3.17Å; Q89-H93 VanDerWaalsContact O-N 3.08Å; S90-H93 WeakPolarHBondContact O-CB 3.41Å; S90-H93 PolarHBondContact O-N 3.37Å; I91-H93 VanDerWaalsContact C-N 3.29Å; I91-H93 PolarHBondContact O-N 3.07Å; H93-L96 PolarHBondContact O-N 3.36Å; H93-G98 PolarHBondContact O-N 3.1Å
94	I	58.4	Low	55.6	Low	11 Å²	11	67.1 Å²	67.1	6%	0.056	35%	0.345	C	S	.	.	H	α-helix	trans	-67.8	-38.8	175.6	-59.8	170.5	0	0	0	111.4	C49 S90 I91 N92 L96 A100 C103 L107	C49-I94 HydrophobicContact CB-CG2 3.6Å; S90-I94 VanDerWaalsContact O-CG1 3.23Å; S90-I94 WeakPolarHBondContact O-CG1 3.47Å; S90-I94 PolarHBondContact O-N 3.27Å; I91-I94 CarbonylContact O-C 3.59Å; I91-I94 WeakPolarHBondContact O-CA 3.3Å; I91-I94 VanDerWaalsContact O-CB 3.3Å; I91-I94 WeakPolarHBondContact O-CB 3.33Å; I91-I94 PolarHBondContact O-N 2.74Å; N92-I94 VanDerWaalsContact C-N 3.27Å; N92-I94 PolarHBondContact O-N 3.3Å; I94-L96 VanDerWaalsContact C-N 3.31Å; I94-L96 PolarHBondContact O-N 3.14Å; I94-A100 HydrophobicContact CG2-CB 4.48Å; I94-C103 HydrophobicContact CD1-CB 3.51Å; I94-C103 WeakPolarHBondContact CD1-SG 3.27Å; I94-C103 HydrophobicContact CG1-CB 4.15Å; I94-C103 WeakPolarHBondContact CG1-SG 3.26Å; I94-L107 HydrophobicContact CD1-CD1 3.63Å
95	L	58.5	Low	56.2	Low	17 Å²	17	69.1 Å²	69.1	9%	0.089	36%	0.359	C	S	.	.	H	α-helix	trans	-71.7	-26.9	-179.3	-65.6	176.4	0	0	0	112.2	M53 K57 L68 L72 I91 N92	M53-L95 HydrophobicContact CG-CD2 4.38Å; M53-L95 HydrophobicContact SD-CD2 4.4Å; K57-L95 VanDerWaalsContact NZ-CA 3.34Å; K57-L95 PolarHBondContact NZ-O 3.48Å; L68-L95 HydrophobicContact CD2-CD2 4.23Å; L72-L95 HydrophobicContact CD1-CD1 4.45Å; I91-L95 HydrophobicContact CG2-CD1 3.72Å; I91-L95 HydrophobicContact CG2-CG 3.98Å; I91-L95 VanDerWaalsContact O-CG 3.29Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 2.98Å; N92-L95 PolarHBondContact O-N 3.27Å; N92-L95 VanDerWaalsContact O-N 3.11Å
96	L	57.5	Low	56.6	Low	113 Å²	113	71.4 Å²	71.4	59%	0.592	37%	0.369	S	S	*	.	H	α-helix	trans	-88.9	-8.9	-172.8	-70.1	172.9	0	0	0	115.9	K69 N92 H93 I94	K69-L96 HydrophobicContact CD-CD2 3.99Å; K69-L96 VanDerWaalsContact NZ-CD2 3.28Å; N92-L96 WeakPolarHBondContact O-CB 3.07Å; N92-L96 WeakPolarHBondContact O-CG 3.48Å; N92-L96 PolarHBondContact O-N 3.15Å; H93-L96 PolarHBondContact O-N 3.36Å; I94-L96 VanDerWaalsContact C-N 3.31Å; I94-L96 PolarHBondContact O-N 3.14Å
97	G	54.5	Low	56.6	Low	66 Å²	66	66.2 Å²	66.2	68%	0.68	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.3	8.1	173.8	0	0	0	0	0	115.7	E99	G97-E99 PolarHBondContact O-N 2.98Å
98	G	49.9	Very low	56.7	Low	26 Å²	26	69.3 Å²	69.3	27%	0.268	36%	0.361	S	S	.	.			trans	-63.4	123.5	166.4	0	0	0	0	0	109.3	H93 A100	H93-G98 PolarHBondContact O-N 3.1Å; G98-A100 PolarHBondContact O-N 3.25Å
99	E	50.4	Low	56.6	Low	133 Å²	133	75.3 Å²	75.3	62%	0.621	39%	0.387	S	S	*	.			trans	-48.4	112.2	170.6	-62.4	-171.4	146.3	0	0	108	G97 R101	G97-E99 PolarHBondContact O-N 2.98Å; E99-R101 HydrophobicContact CB-CG 4.27Å; E99-R101 PolarHBondContact O-N 2.61Å; E99-R101 IonicContact OE1-CZ 3.73Å; E99-R101 IonicContact OE1-NE 3.91Å; E99-R101 IonicContact OE1-NH2 2.78Å; E99-R101 PolarHBondContact OE1-NH2 3.04Å; E99-R101 IonicContact OE2-CZ 3.12Å; E99-R101 IonicContact OE2-NE 2.8Å; E99-R101 PolarHBondContact OE2-NE 3.25Å; E99-R101 IonicContact OE2-NH2 2.9Å; E99-R101 PolarHBondContact OE2-NH2 3.22Å
100	A	48.9	Very low	56.1	Low	21 Å²	21	70.1 Å²	70.1	17%	0.174	36%	0.363	C	S	.	.			trans	-64.8	3.2	-169.1	0	0	0	0	0	113.6	C49 E50 I94 G98 N102 C103	C49-A100 HydrophobicContact CB-CB 4.4Å; C49-A100 WeakPolarHBondContact O-CB 3.28Å; E50-A100 VanDerWaalsContact CD-O 3.24Å; E50-A100 HydrophobicContact CG-CB 3.81Å; E50-A100 WeakPolarHBondContact CG-O 3.47Å; I94-A100 HydrophobicContact CG2-CB 4.48Å; G98-A100 PolarHBondContact O-N 3.25Å; A100-N102 PolarHBondContact O-N 3.02Å; A100-C103 WeakPolarHBondContact CA-SG 3.37Å; A100-C103 WeakPolarHBondContact O-CB 3.29Å; A100-C103 PolarHBondContact O-N 2.79Å; A100-C103 PolarHBondContact O-SG 2.78Å
101	R	54.1	Low	55.6	Low	177 Å²	177	73.7 Å²	73.7	67%	0.668	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	104.2	177	-50.6	-175	-136.2	-156.2	0.5	108.4	E99	E99-R101 HydrophobicContact CB-CG 4.27Å; E99-R101 PolarHBondContact O-N 2.61Å; E99-R101 IonicContact OE1-CZ 3.73Å; E99-R101 IonicContact OE1-NE 3.91Å; E99-R101 IonicContact OE1-NH2 2.78Å; E99-R101 PolarHBondContact OE1-NH2 3.04Å; E99-R101 IonicContact OE2-CZ 3.12Å; E99-R101 IonicContact OE2-NE 2.8Å; E99-R101 PolarHBondContact OE2-NE 3.25Å; E99-R101 IonicContact OE2-NH2 2.9Å; E99-R101 PolarHBondContact OE2-NH2 3.22Å
102	N	53.7	Low	55.1	Low	114 Å²	114	84.2 Å²	84.2	61%	0.61	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	6.1	178.7	-55.7	-42.9	0	0	0	116.7	E50 A100 R104 S105 M106	E50-N102 WeakPolarHBondContact OE1-CA 3.4Å; E50-N102 PolarHBondContact OE1-N 2.89Å; A100-N102 PolarHBondContact O-N 3.02Å; N102-R104 PolarHBondContact O-N 3.36Å; N102-S105 PolarHBondContact O-N 3.01Å; N102-S105 PolarHBondContact O-OG 3.19Å; N102-S105 VanDerWaalsContact O-OG 3.05Å; N102-M106 PolarHBondContact O-N 2.88Å
103	C	55.3	Low	54.4	Low	13 Å²	13	90.9 Å²	90.9	9%	0.088	45%	0.448	C	S	.	.	H	α-helix	trans	-62.6	-36.2	173.9	-63.9	0	0	0	0	111.5	C49 E50 I94 A100 S105 M106 L107	C49-C103 HydrophobicContact CB-CB 4.43Å; C49-C103 VanDerWaalsContact SG-CB 3.52Å; E50-C103 PolarHBondContact OE1-N 3.28Å; I94-C103 HydrophobicContact CD1-CB 3.51Å; I94-C103 WeakPolarHBondContact CD1-SG 3.27Å; I94-C103 HydrophobicContact CG1-CB 4.15Å; I94-C103 WeakPolarHBondContact CG1-SG 3.26Å; A100-C103 WeakPolarHBondContact CA-SG 3.37Å; A100-C103 WeakPolarHBondContact O-CB 3.29Å; A100-C103 PolarHBondContact O-N 2.79Å; A100-C103 PolarHBondContact O-SG 2.78Å; C103-S105 VanDerWaalsContact C-N 3.33Å; C103-S105 PolarHBondContact O-N 3.41Å; C103-M106 PolarHBondContact O-N 3.37Å; C103-L107 HydrophobicContact CB-CD1 4.36Å; C103-L107 VanDerWaalsContact O-CB 3.22Å; C103-L107 WeakPolarHBondContact O-CB 3.49Å; C103-L107 WeakPolarHBondContact O-CD1 3.22Å; C103-L107 VanDerWaalsContact O-CG 3.29Å; C103-L107 WeakPolarHBondContact O-CG 3.12Å; C103-L107 PolarHBondContact O-N 3.2Å
104	R	57.7	Low	54.1	Low	152 Å²	152	88.8 Å²	88.8	57%	0.574	44%	0.44	S	S	*	.	H	α-helix	trans	-63.3	-40.1	176.1	-173.2	174.8	178.9	166.9	-1.3	111.7	E50 N102 L108	E50-R104 PolarHBondContact OE1-N 3.23Å; N102-R104 PolarHBondContact O-N 3.36Å; R104-L108 HydrophobicContact CG-CD1 3.76Å; R104-L108 HydrophobicContact CG-CG 4.18Å; R104-L108 WeakPolarHBondContact O-CB 3.24Å; R104-L108 WeakPolarHBondContact O-CD1 3.32Å; R104-L108 WeakPolarHBondContact O-CG 3.46Å; R104-L108 PolarHBondContact O-N 2.77Å
105	S	60.5	Low	53.9	Low	60 Å²	60	92.9 Å²	92.9	42%	0.42	46%	0.46	S	S	.	.	H	α-helix	trans	-71.6	-40.2	179	78.2	0	0	0	0	111.7	N102 C103 K109	N102-S105 PolarHBondContact O-N 3.01Å; N102-S105 PolarHBondContact O-OG 3.19Å; N102-S105 VanDerWaalsContact O-OG 3.05Å; C103-S105 VanDerWaalsContact C-N 3.33Å; C103-S105 PolarHBondContact O-N 3.41Å; S105-K109 WeakPolarHBondContact O-CG 3.39Å; S105-K109 PolarHBondContact O-N 3.09Å
106	M	57.5	Low	53.6	Low	109 Å²	109	97.1 Å²	97.1	54%	0.537	48%	0.481	S	S	.	.	H	α-helix	trans	-64.1	-44.8	176.2	-172.3	-178.2	-71.8	0	0	111.5	N102 C103 K109	N102-M106 PolarHBondContact O-N 2.88Å; C103-M106 PolarHBondContact O-N 3.37Å; M106-K109 WeakPolarHBondContact O-CB 3.34Å; M106-K109 PolarHBondContact O-N 3.28Å
107	L	55.7	Low	53.4	Low	2 Å²	2	96.2 Å²	96.2	1%	0.01	48%	0.475	C	S	.	.	H	α-helix	trans	-80	-28.8	-177.3	-68.6	162.3	0	0	0	113.3	V46 I87 I94 C103 K109 L110 I111	V46-L107 HydrophobicContact CB-CD1 4.24Å; V46-L107 HydrophobicContact CG1-CB 4.02Å; V46-L107 HydrophobicContact CG1-CD1 4.32Å; V46-L107 HydrophobicContact CG2-CB 3.95Å; V46-L107 HydrophobicContact CG2-CD1 3.64Å; V46-L107 HydrophobicContact CG2-CD2 4.42Å; V46-L107 HydrophobicContact CG2-CG 4.21Å; I87-L107 HydrophobicContact CG2-CD2 3.98Å; I94-L107 HydrophobicContact CD1-CD1 3.63Å; C103-L107 HydrophobicContact CB-CD1 4.36Å; C103-L107 VanDerWaalsContact O-CB 3.22Å; C103-L107 WeakPolarHBondContact O-CB 3.49Å; C103-L107 WeakPolarHBondContact O-CD1 3.22Å; C103-L107 VanDerWaalsContact O-CG 3.29Å; C103-L107 WeakPolarHBondContact O-CG 3.12Å; C103-L107 PolarHBondContact O-N 3.2Å; L107-K109 PolarHBondContact O-N 3.04Å; L107-L110 HydrophobicContact CD2-CD1 4.11Å; L107-L110 PolarHBondContact O-N 3.12Å; L107-L110 VanDerWaalsContact O-N 3.17Å; L107-I111 PolarHBondContact O-N 3.02Å; L107-I111 VanDerWaalsContact O-N 3.15Å
108	L	57.1	Low	53.3	Low	79 Å²	79	98.1 Å²	98.1	41%	0.414	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-25.8	172.2	-81.6	172.2	0	0	0	112.5	R104	R104-L108 HydrophobicContact CG-CD1 3.76Å; R104-L108 HydrophobicContact CG-CG 4.18Å; R104-L108 WeakPolarHBondContact O-CB 3.24Å; R104-L108 WeakPolarHBondContact O-CD1 3.32Å; R104-L108 WeakPolarHBondContact O-CG 3.46Å; R104-L108 PolarHBondContact O-N 2.77Å
109	K	53.5	Low	53.5	Low	141 Å²	141	102.9 Å²	102.9	61%	0.613	48%	0.475	S	S	*	.	H	α-helix	trans	-65.8	-47.2	170.1	-68.6	175.9	179.3	-174.9	0	110.4	S105 M106 L107 I111 R112 E113	S105-K109 WeakPolarHBondContact O-CG 3.39Å; S105-K109 PolarHBondContact O-N 3.09Å; M106-K109 WeakPolarHBondContact O-CB 3.34Å; M106-K109 PolarHBondContact O-N 3.28Å; L107-K109 PolarHBondContact O-N 3.04Å; K109-I111 VanDerWaalsContact C-N 3.29Å; K109-I111 PolarHBondContact O-N 3.05Å; K109-R112 PolarHBondContact O-N 3.48Å; K109-R112 VanDerWaalsContact O-N 3.07Å; K109-E113 PolarHBondContact O-N 2.77Å
110	L	48.9	Very low	53.7	Low	29 Å²	29	100.7 Å²	100.7	15%	0.152	46%	0.464	C	S	.	.	H	α-helix	trans	-68.3	-18.4	-179	-74.8	158.6	0	0	0	115.1	Q86 I87 L107	Q86-L110 HydrophobicContact CG-CD2 4.35Å; I87-L110 HydrophobicContact CD1-CB 4.1Å; I87-L110 HydrophobicContact CG1-CB 3.75Å; I87-L110 HydrophobicContact CG1-CD1 3.93Å; I87-L110 HydrophobicContact CG1-CD2 4.26Å; I87-L110 HydrophobicContact CG1-CG 4.2Å; L107-L110 HydrophobicContact CD2-CD1 4.11Å; L107-L110 PolarHBondContact O-N 3.12Å; L107-L110 VanDerWaalsContact O-N 3.17Å
111	I	52	Low	54.1	Low	100 Å²	100	106.8 Å²	106.8	51%	0.513	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.4	174.2	-65	170.4	0	0	0	111.7	L107 K109	L107-I111 PolarHBondContact O-N 3.02Å; L107-I111 VanDerWaalsContact O-N 3.15Å; K109-I111 VanDerWaalsContact C-N 3.29Å; K109-I111 PolarHBondContact O-N 3.05Å
112	R	53	Low	54.1	Low	226 Å²	226	101 Å²	101	85%	0.853	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-19	-176.8	-79.9	-173.2	171.1	-167.9	-1.9	114.3	K109	K109-R112 PolarHBondContact O-N 3.48Å; K109-R112 VanDerWaalsContact O-N 3.07Å
113	E	44.6	Very low	54.2	Low	187 Å²	187	99.8 Å²	99.8	87%	0.874	46%	0.459	S	S	*	.			trans	-79.9	0	171.8	-67.7	172.5	-167.6	0	0	109.6	K109	K109-E113 PolarHBondContact O-N 2.77Å

Retrieved 113 of 113 residues in 231.5 ms (Link to these results)

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