A0A077Z326_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z326, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 194 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	73.7	Confident	89	Confident	86 Å²	86	59.4 Å²	59.4	42%	0.424	35%	0.345	S	S	.	.				0	-48.1	0	-176.1	-176.8	-88.8	0	0	109.5	D3 F116 P117 Y139	M1-D3 PolarHBondContact N-OD2 3.07Å; M1-D3 PolarHBondContact O-N 2.74Å; M1-F116 HydrophobicContact SD-CE1 4.2Å; M1-F116 HydrophobicContact SD-CZ 3.75Å; M1-P117 VanDerWaalsContact O-CG 3.29Å; M1-P117 WeakPolarHBondContact O-CG 3.46Å; M1-Y139 HydrophobicContact SD-CD2 4.49Å; M1-Y139 HydrophobicContact SD-CE2 3.76Å
2	F	83.5	Confident	89.5	Confident	24 Å²	24	62.3 Å²	62.3	11%	0.105	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-78.1	4.3	178.1	-58.2	-69.2	0	0	0	115.2	A4 V5 F115 F116 Y139 F140 R143 W144	F2-A4 PolarHBondContact O-N 3.18Å; F2-A4 VanDerWaalsContact O-N 3.12Å; F2-V5 HydrophobicContact CB-CG2 4.5Å; F2-V5 WeakPolarHBondContact O-CB 3.39Å; F2-V5 PolarHBondContact O-N 3.08Å; F2-F115 WeakPolarHBondContact CD1-O 3.09Å; F2-F116 AromaticContact CE1-CD2 3.98Å; F2-F116 HydrophobicContact CE1-CD2 3.98Å; F2-F116 HydrophobicContact CE1-CE2 4.09Å; F2-F116 HydrophobicContact CE1-CG 4.46Å; F2-F116 HydrophobicContact CZ-CD2 4.41Å; F2-F116 HydrophobicContact CZ-CE2 4.17Å; F2-Y139 AromaticContact CE2-CD2 3.81Å; F2-Y139 HydrophobicContact CE2-CD2 3.81Å; F2-Y139 HydrophobicContact CE2-CE2 4.45Å; F2-Y139 WeakPolarHBondContact CE2-O 3.15Å; F2-Y139 AromaticContact CZ-CD2 3.55Å; F2-Y139 HydrophobicContact CZ-CD2 3.55Å; F2-Y139 AromaticContact CZ-CE2 3.86Å; F2-Y139 HydrophobicContact CZ-CE2 3.86Å; F2-F140 HydrophobicContact CE1-CD2 4.07Å; F2-F140 HydrophobicContact CZ-CB 4.41Å; F2-F140 HydrophobicContact CZ-CD2 4.32Å; F2-R143 HydrophobicContact CB-CG 4.27Å; F2-R143 HydrophobicContact CD2-CB 3.84Å; F2-R143 HydrophobicContact CD2-CG 3.59Å; F2-R143 HydrophobicContact CE2-CB 3.74Å; F2-R143 HydrophobicContact CE2-CG 4.02Å; F2-R143 HydrophobicContact CG-CG 3.95Å; F2-R143 HydrophobicContact CZ-CB 4.42Å; F2-W144 HydrophobicContact CB-CZ2 4.19Å; F2-W144 AromaticContact CD1-NE1 3.49Å; F2-W144 AromaticContact CE1-NE1 3.84Å; F2-W144 AromaticContact CG-NE1 3.84Å
3	D	79.7	Confident	90.1	Very high	153 Å²	153	58.8 Å²	58.8	82%	0.818	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.7	-18.5	-173	-47.2	-66.8	0	0	0	113.5	M1	M1-D3 PolarHBondContact N-OD2 3.07Å; M1-D3 PolarHBondContact O-N 2.74Å
4	A	86.7	Confident	90.7	Very high	88 Å²	88	54.6 Å²	54.6	73%	0.727	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-83.7	-11.2	174.9	0	0	0	0	0	113.5	F2	F2-A4 PolarHBondContact O-N 3.18Å; F2-A4 VanDerWaalsContact O-N 3.12Å
5	V	91.9	Very high	91.1	Very high	20 Å²	20	54.3 Å²	54.3	12%	0.121	30%	0.301	C	S	.	.			trans	-79.9	127.2	-179.3	-179.1	0	0	0	0	108.7	F2 P7 F115 P117 W144	F2-V5 HydrophobicContact CB-CG2 4.5Å; F2-V5 WeakPolarHBondContact O-CB 3.39Å; F2-V5 PolarHBondContact O-N 3.08Å; V5-P7 WeakPolarHBondContact O-CD 3.27Å; V5-F115 HydrophobicContact CG1-CD1 4.22Å; V5-P117 HydrophobicContact CG2-CG 4.15Å; V5-W144 HydrophobicContact CB-CZ2 4.22Å; V5-W144 HydrophobicContact CG1-CH2 4.47Å; V5-W144 HydrophobicContact CG1-CZ2 4.04Å
6	N	93.3	Very high	91.5	Very high	87 Å²	87	53.3 Å²	53.3	47%	0.465	29%	0.293	S	S	.	.			trans	-95.6	92.9	166.7	-179	-17.1	0	0	0	108.1	V8 L9 C10	N6-V8 VanDerWaalsContact C-N 3.31Å; N6-V8 PolarHBondContact O-N 2.78Å; N6-V8 PolarHBondContact OD1-N 2.96Å; N6-L9 HydrophobicContact CB-CB 3.98Å; N6-L9 PolarHBondContact O-N 3.18Å; N6-L9 VanDerWaalsContact O-N 3.13Å; N6-L9 PolarHBondContact OD1-N 2.79Å; N6-C10 PolarHBondContact O-N 3.48Å; N6-C10 PolarHBondContact O-SG 2.89Å
7	P	92.7	Very high	91.9	Very high	16 Å²	16	50.3 Å²	50.3	10%	0.104	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-41.8	-172.2	21.9	-33	0	0	0	111.9	V5 L9 C10 E11 F115 W144 E183	V5-P7 WeakPolarHBondContact O-CD 3.27Å; P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 2.83Å; P7-C10 PolarHBondContact O-N 2.71Å; P7-C10 VanDerWaalsContact O-N 3.11Å; P7-E11 WeakPolarHBondContact O-CB 3.08Å; P7-E11 WeakPolarHBondContact O-CG 3.31Å; P7-E11 PolarHBondContact O-N 3.24Å; P7-F115 HydrophobicContact CB-CE1 4.43Å; P7-W144 HydrophobicContact CB-CH2 3.8Å; P7-W144 HydrophobicContact CB-CZ3 3.81Å; P7-W144 HydrophobicContact CG-CH2 4.07Å; P7-W144 HydrophobicContact CG-CZ3 4.36Å; P7-E183 WeakPolarHBondContact CG-OE2 3.36Å
8	V	92.2	Very high	92.3	Very high	92 Å²	92	47.5 Å²	47.5	56%	0.558	26%	0.261	S	S	*	.	H	α-helix	trans	-58.8	-42.8	178.7	-179.6	0	0	0	0	111.6	N6 Y12	N6-V8 VanDerWaalsContact C-N 3.31Å; N6-V8 PolarHBondContact O-N 2.78Å; N6-V8 PolarHBondContact OD1-N 2.96Å; V8-Y12 VanDerWaalsContact O-CB 3.28Å; V8-Y12 WeakPolarHBondContact O-CB 3.12Å; V8-Y12 PolarHBondContact O-N 2.86Å
9	L	94.3	Very high	92.6	Very high	54 Å²	54	49.8 Å²	49.8	28%	0.283	27%	0.27	S	S	.	.	H	α-helix	trans	-70	-41.1	177.2	-178.7	60.9	0	0	0	111.6	N6 P7 Y12 I13 P46	N6-L9 HydrophobicContact CB-CB 3.98Å; N6-L9 PolarHBondContact O-N 3.18Å; N6-L9 VanDerWaalsContact O-N 3.13Å; N6-L9 PolarHBondContact OD1-N 2.79Å; P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 2.83Å; L9-Y12 PolarHBondContact O-N 3.36Å; L9-I13 HydrophobicContact CD1-CD1 4.03Å; L9-I13 HydrophobicContact CD1-CG1 4.33Å; L9-I13 HydrophobicContact CG-CD1 3.9Å; L9-I13 WeakPolarHBondContact O-CB 3.27Å; L9-I13 VanDerWaalsContact O-CG1 3.27Å; L9-I13 WeakPolarHBondContact O-CG1 3.35Å; L9-I13 PolarHBondContact O-N 2.82Å; L9-P46 HydrophobicContact CD1-CG 3.93Å
10	C	95.7	Very high	92.9	Very high	16 Å²	16	48.7 Å²	48.7	11%	0.108	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-45.3	177.3	-67.1	0	0	0	0	111.6	N6 P7 I13 L14 M114 F115	N6-C10 PolarHBondContact O-N 3.48Å; N6-C10 PolarHBondContact O-SG 2.89Å; P7-C10 PolarHBondContact O-N 2.71Å; P7-C10 VanDerWaalsContact O-N 3.11Å; C10-I13 PolarHBondContact O-N 2.65Å; C10-L14 VanDerWaalsContact O-CB 3.3Å; C10-L14 WeakPolarHBondContact O-CB 2.9Å; C10-L14 PolarHBondContact O-N 3.17Å; C10-M114 HydrophobicContact CB-CE 4.09Å; C10-M114 WeakPolarHBondContact O-CE 3.49Å; C10-M114 PolarHBondContact SG-O 2.89Å; C10-M114 VanDerWaalsContact SG-O 3.34Å; C10-F115 HydrophobicContact CB-CD1 4.49Å; C10-F115 HydrophobicContact CB-CD2 4.2Å; C10-F115 HydrophobicContact CB-CE1 3.96Å; C10-F115 HydrophobicContact CB-CE2 3.65Å; C10-F115 HydrophobicContact CB-CZ 3.51Å
11	E	95.3	Very high	93.1	Very high	17 Å²	17	46.5 Å²	46.5	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-47.1	174.8	-71.4	163.4	-171.1	0	0	111.2	P7 I13 L14 L15 F115 L176 V180	P7-E11 WeakPolarHBondContact O-CB 3.08Å; P7-E11 WeakPolarHBondContact O-CG 3.31Å; P7-E11 PolarHBondContact O-N 3.24Å; E11-I13 PolarHBondContact O-N 3.23Å; E11-L14 PolarHBondContact O-N 3.15Å; E11-L15 WeakPolarHBondContact O-CG 3.17Å; E11-L15 PolarHBondContact O-N 3.04Å; E11-F115 HydrophobicContact CG-CZ 4.04Å; E11-L176 HydrophobicContact CB-CD1 4Å; E11-L176 HydrophobicContact CG-CB 4.29Å; E11-L176 HydrophobicContact CG-CD1 4.13Å; E11-L176 HydrophobicContact CG-CD2 4.04Å; E11-L176 HydrophobicContact CG-CG 4.36Å; E11-V180 WeakPolarHBondContact OE2-CG2 3.4Å
12	Y	95.5	Very high	94.3	Very high	95 Å²	95	45.5 Å²	45.5	37%	0.373	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-41.6	178.1	-178.3	-104.8	0	0	0	112.9	V8 L9 Q16 M45 P46	V8-Y12 VanDerWaalsContact O-CB 3.28Å; V8-Y12 WeakPolarHBondContact O-CB 3.12Å; V8-Y12 PolarHBondContact O-N 2.86Å; L9-Y12 PolarHBondContact O-N 3.36Å; Y12-Q16 PolarHBondContact O-N 3.22Å; Y12-M45 HydrophobicContact CD1-CG 4.12Å; Y12-M45 HydrophobicContact CD1-SD 3.35Å; Y12-M45 WeakPolarHBondContact CD1-SD 3.32Å; Y12-M45 HydrophobicContact CD2-SD 4.13Å; Y12-M45 HydrophobicContact CE1-CG 3.44Å; Y12-M45 VanDerWaalsContact CE1-CG 3.44Å; Y12-M45 HydrophobicContact CE1-SD 3.33Å; Y12-M45 WeakPolarHBondContact CE1-SD 3.39Å; Y12-M45 HydrophobicContact CE2-CG 4.38Å; Y12-M45 HydrophobicContact CE2-SD 4.15Å; Y12-M45 HydrophobicContact CG-SD 3.75Å; Y12-P46 WeakPolarHBondContact CE1-O 3.41Å
13	I	97.4	Very high	95	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.087	27%	0.266	C	S	.	.	H	α-helix	trans	-67.3	-44.1	175.5	-70.4	166.5	0	0	0	110.5	L9 C10 E11 L15 Q16 L17 L41 P46 V48 M114	L9-I13 HydrophobicContact CD1-CD1 4.03Å; L9-I13 HydrophobicContact CD1-CG1 4.33Å; L9-I13 HydrophobicContact CG-CD1 3.9Å; L9-I13 WeakPolarHBondContact O-CB 3.27Å; L9-I13 VanDerWaalsContact O-CG1 3.27Å; L9-I13 WeakPolarHBondContact O-CG1 3.35Å; L9-I13 PolarHBondContact O-N 2.82Å; C10-I13 PolarHBondContact O-N 2.65Å; E11-I13 PolarHBondContact O-N 3.23Å; I13-L15 PolarHBondContact O-N 3.03Å; I13-Q16 PolarHBondContact O-N 2.98Å; I13-L17 HydrophobicContact CG2-CD1 4.04Å; I13-L17 HydrophobicContact CG2-CG 4.41Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 3.49Å; I13-L41 HydrophobicContact CD1-CD1 3.88Å; I13-L41 HydrophobicContact CD1-CD2 4.17Å; I13-L41 HydrophobicContact CG1-CD2 4.21Å; I13-L41 HydrophobicContact CG2-CD2 4.28Å; I13-P46 HydrophobicContact CD1-CG 4.05Å; I13-P46 HydrophobicContact CG1-CG 3.92Å; I13-V48 HydrophobicContact CB-CG2 4.23Å; I13-V48 HydrophobicContact CG1-CG2 4.17Å; I13-V48 HydrophobicContact CG2-CG2 3.94Å; I13-M114 HydrophobicContact CB-CE 3.73Å; I13-M114 HydrophobicContact CG2-CE 3.58Å; I13-M114 HydrophobicContact CG2-SD 4.28Å
14	L	97.6	Very high	95.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-43.7	-177.9	177.5	57.1	0	0	0	111.7	C10 E11 Q16 L17 I18 L107 T111 M114 L150 L176	C10-L14 VanDerWaalsContact O-CB 3.3Å; C10-L14 WeakPolarHBondContact O-CB 2.9Å; C10-L14 PolarHBondContact O-N 3.17Å; E11-L14 PolarHBondContact O-N 3.15Å; L14-Q16 PolarHBondContact O-N 2.91Å; L14-L17 WeakPolarHBondContact O-CB 3.27Å; L14-L17 PolarHBondContact O-N 3Å; L14-L17 VanDerWaalsContact O-N 3.15Å; L14-I18 HydrophobicContact CD1-CD1 4.08Å; L14-I18 HydrophobicContact CD1-CG1 4.12Å; L14-I18 HydrophobicContact CG-CD1 3.93Å; L14-I18 HydrophobicContact CG-CG1 4.43Å; L14-I18 VanDerWaalsContact O-CG1 3.32Å; L14-I18 WeakPolarHBondContact O-CG1 3.35Å; L14-I18 PolarHBondContact O-N 2.59Å; L14-L107 HydrophobicContact CD1-CD1 4.18Å; L14-L107 HydrophobicContact CD1-CG 4.46Å; L14-T111 HydrophobicContact CD1-CG2 4.23Å; L14-T111 VanDerWaalsContact CD1-OG1 3.23Å; L14-T111 WeakPolarHBondContact CD1-OG1 3.28Å; L14-T111 HydrophobicContact CD2-CG2 3.7Å; L14-M114 HydrophobicContact CB-CE 4.13Å; L14-L150 HydrophobicContact CD2-CD2 4.03Å; L14-L176 HydrophobicContact CD2-CD1 4.2Å; L14-L176 HydrophobicContact CD2-CD2 4.31Å
15	L	97.4	Very high	96.4	Very high	50 Å²	50	40.2 Å²	40.2	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-61.4	-43	177.5	-71.3	176.6	0	0	0	112.2	E11 I13 L17 I18 E19 P173 L176	E11-L15 WeakPolarHBondContact O-CG 3.17Å; E11-L15 PolarHBondContact O-N 3.04Å; I13-L15 PolarHBondContact O-N 3.03Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 2.87Å; L15-I18 PolarHBondContact O-N 3.12Å; L15-E19 WeakPolarHBondContact O-CB 3.46Å; L15-E19 PolarHBondContact O-N 2.87Å; L15-P173 HydrophobicContact CD2-CB 4.41Å; L15-P173 HydrophobicContact CD2-CG 3.86Å; L15-L176 HydrophobicContact CD1-CD1 4.34Å; L15-L176 HydrophobicContact CD2-CD1 3.93Å; L15-L176 HydrophobicContact CG-CD1 3.84Å
16	Q	97.9	Very high	96.7	Very high	38 Å²	38	43 Å²	43	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-35.5	174.9	-72.5	-179	77.4	0	0	112.3	Y12 I13 L14 E19 A20 P46 V48	Y12-Q16 PolarHBondContact O-N 3.22Å; I13-Q16 PolarHBondContact O-N 2.98Å; L14-Q16 PolarHBondContact O-N 2.91Å; Q16-E19 PolarHBondContact O-N 3.19Å; Q16-A20 WeakPolarHBondContact O-CB 3.36Å; Q16-A20 PolarHBondContact O-N 3.01Å; Q16-P46 PolarHBondContact NE2-O 3.12Å; Q16-V48 HydrophobicContact CB-CB 3.8Å; Q16-V48 HydrophobicContact CB-CG2 3.76Å; Q16-V48 HydrophobicContact CG-CG2 4.37Å
17	L	98.1	Very high	96.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-46.2	174.7	-74.6	173.7	0	0	0	112.1	I13 L14 L15 E19 A20 V21 I39 V48 L107 V110 M114	I13-L17 HydrophobicContact CG2-CD1 4.04Å; I13-L17 HydrophobicContact CG2-CG 4.41Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 3.49Å; L14-L17 WeakPolarHBondContact O-CB 3.27Å; L14-L17 PolarHBondContact O-N 3Å; L14-L17 VanDerWaalsContact O-N 3.15Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 2.87Å; L17-E19 VanDerWaalsContact C-N 3.26Å; L17-E19 PolarHBondContact O-N 2.71Å; L17-A20 PolarHBondContact O-N 3Å; L17-V21 WeakPolarHBondContact O-CG2 3.41Å; L17-V21 PolarHBondContact O-N 3.5Å; L17-I39 HydrophobicContact CD1-CD1 4.01Å; L17-I39 HydrophobicContact CD2-CD1 3.82Å; L17-I39 HydrophobicContact CD2-CG1 3.92Å; L17-I39 HydrophobicContact CD2-CG2 3.84Å; L17-V48 HydrophobicContact CD2-CG1 3.5Å; L17-V48 VanDerWaalsContact CD2-CG1 3.5Å; L17-V48 HydrophobicContact CG-CG1 3.89Å; L17-L107 HydrophobicContact CB-CD1 3.73Å; L17-L107 HydrophobicContact CD1-CD1 4.04Å; L17-L107 HydrophobicContact CG-CD1 4.45Å; L17-V110 HydrophobicContact CD1-CG1 4.26Å; L17-M114 HydrophobicContact CD1-SD 4.26Å
18	I	98.3	Very high	97	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.8	-44.6	175.8	-64.7	165.5	0	0	0	109.6	L14 L15 R22 L107 L168 W169	L14-I18 HydrophobicContact CD1-CD1 4.08Å; L14-I18 HydrophobicContact CD1-CG1 4.12Å; L14-I18 HydrophobicContact CG-CD1 3.93Å; L14-I18 HydrophobicContact CG-CG1 4.43Å; L14-I18 VanDerWaalsContact O-CG1 3.32Å; L14-I18 WeakPolarHBondContact O-CG1 3.35Å; L14-I18 PolarHBondContact O-N 2.59Å; L15-I18 PolarHBondContact O-N 3.12Å; I18-R22 WeakPolarHBondContact O-CB 3.36Å; I18-R22 PolarHBondContact O-N 3.35Å; I18-L107 HydrophobicContact CG1-CD2 3.77Å; I18-L168 HydrophobicContact CD1-CD2 4.24Å; I18-L168 HydrophobicContact CD1-CG 4.08Å; I18-L168 HydrophobicContact CG1-CD2 3.84Å; I18-L168 HydrophobicContact CG1-CG 4.14Å; I18-L168 HydrophobicContact CG2-CB 4.36Å; I18-L168 HydrophobicContact CG2-CD2 4.13Å; I18-L168 HydrophobicContact CG2-CG 4.01Å; I18-W169 HydrophobicContact CB-CE3 4.33Å; I18-W169 HydrophobicContact CG2-CB 3.95Å; I18-W169 HydrophobicContact CG2-CE3 3.88Å
19	E	98.1	Very high	97.2	Very high	92 Å²	92	49.7 Å²	49.7	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-44.4	176.7	-170.4	173.3	-164.5	0	0	112.5	L15 Q16 L17 R22 Y23 W169	L15-E19 WeakPolarHBondContact O-CB 3.46Å; L15-E19 PolarHBondContact O-N 2.87Å; Q16-E19 PolarHBondContact O-N 3.19Å; L17-E19 VanDerWaalsContact C-N 3.26Å; L17-E19 PolarHBondContact O-N 2.71Å; E19-R22 PolarHBondContact O-N 2.85Å; E19-Y23 WeakPolarHBondContact O-CB 3.25Å; E19-Y23 PolarHBondContact O-N 3.05Å; E19-W169 HydrophobicContact CB-CE3 4.2Å; E19-W169 HydrophobicContact CB-CH2 4.03Å; E19-W169 HydrophobicContact CB-CZ3 3.66Å; E19-W169 HydrophobicContact CG-CH2 4.21Å; E19-W169 HydrophobicContact CG-CZ3 4.3Å
20	A	98.3	Very high	97.3	Very high	26 Å²	26	47.3 Å²	47.3	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-47.9	178.4	0	0	0	0	0	111.8	Q16 L17 Y23 V24 L50	Q16-A20 WeakPolarHBondContact O-CB 3.36Å; Q16-A20 PolarHBondContact O-N 3.01Å; L17-A20 PolarHBondContact O-N 3Å; A20-Y23 WeakPolarHBondContact O-CB 3.47Å; A20-Y23 PolarHBondContact O-N 3.29Å; A20-V24 WeakPolarHBondContact O-CG2 3.49Å; A20-V24 PolarHBondContact O-N 3.28Å; A20-L50 HydrophobicContact CB-CB 4.34Å
21	V	98.5	Very high	97.3	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-44	177.5	175.9	0	0	0	0	110.6	L17 Y23 V24 H25 I34 L50 D103 L107	L17-V21 WeakPolarHBondContact O-CG2 3.41Å; L17-V21 PolarHBondContact O-N 3.5Å; V21-Y23 VanDerWaalsContact C-N 3.3Å; V21-Y23 PolarHBondContact O-N 2.8Å; V21-V24 PolarHBondContact O-N 3.44Å; V21-V24 VanDerWaalsContact O-N 3.17Å; V21-H25 VanDerWaalsContact CG1-CE1 3.45Å; V21-H25 WeakPolarHBondContact CG1-CE1 3.5Å; V21-H25 PolarHBondContact O-N 3.26Å; V21-I34 HydrophobicContact CG1-CD1 4.48Å; V21-I34 HydrophobicContact CG2-CD1 3.52Å; V21-L50 HydrophobicContact CG2-CD2 4.29Å; V21-D103 HydrophobicContact CG1-CB 4.05Å; V21-L107 HydrophobicContact CG2-CD2 4.49Å
22	R	98.3	Very high	97.2	Very high	66 Å²	66	47.9 Å²	47.9	25%	0.249	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-41.1	175.4	-173.1	-176.2	76.1	86.4	2.8	112.2	I18 E19 S26 E166 W169	I18-R22 WeakPolarHBondContact O-CB 3.36Å; I18-R22 PolarHBondContact O-N 3.35Å; E19-R22 PolarHBondContact O-N 2.85Å; R22-S26 WeakPolarHBondContact O-CB 3.5Å; R22-S26 PolarHBondContact O-N 3.47Å; R22-E166 WeakPolarHBondContact CD-OE2 3.19Å; R22-E166 IonicContact NH1-OE2 3.67Å; R22-E166 PolarHBondContact NH1-OE2 2.9Å; R22-W169 VanDerWaalsContact CD-CB 3.49Å
23	Y	98.3	Very high	97.2	Very high	128 Å²	128	44.1 Å²	44.1	50%	0.502	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-47.6	175	-179.6	-95.2	0	0	0	111.5	E19 A20 V21 H25 S26 R27	E19-Y23 WeakPolarHBondContact O-CB 3.25Å; E19-Y23 PolarHBondContact O-N 3.05Å; A20-Y23 WeakPolarHBondContact O-CB 3.47Å; A20-Y23 PolarHBondContact O-N 3.29Å; V21-Y23 VanDerWaalsContact C-N 3.3Å; V21-Y23 PolarHBondContact O-N 2.8Å; Y23-H25 PolarHBondContact O-N 3.23Å; Y23-S26 WeakPolarHBondContact O-CB 3.38Å; Y23-S26 PolarHBondContact O-N 3.18Å; Y23-S26 VanDerWaalsContact O-N 3.15Å; Y23-S26 PolarHBondContact O-OG 3.3Å; Y23-R27 HydrophobicContact CE1-CG 4.16Å; Y23-R27 WeakPolarHBondContact O-CG 3.43Å; Y23-R27 PolarHBondContact O-N 3.46Å; Y23-R27 PolarHBondContact OH-NE 3.14Å; Y23-R27 PolarHBondContact OH-NH2 2.95Å
24	V	97.9	Very high	97.2	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-48.5	177.9	169.9	0	0	0	0	110.9	A20 V21 S26 R27 I29 L50 F53	A20-V24 WeakPolarHBondContact O-CG2 3.49Å; A20-V24 PolarHBondContact O-N 3.28Å; V21-V24 PolarHBondContact O-N 3.44Å; V21-V24 VanDerWaalsContact O-N 3.17Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 3.08Å; V24-R27 WeakPolarHBondContact O-CA 3.08Å; V24-R27 WeakPolarHBondContact O-CB 3.47Å; V24-R27 PolarHBondContact O-N 3.36Å; V24-I29 CarbonylContact C-O 3.59Å; V24-I29 HydrophobicContact CG1-CB 3.86Å; V24-I29 HydrophobicContact CG1-CG2 3.76Å; V24-I29 WeakPolarHBondContact CG1-O 3.23Å; V24-I29 PolarHBondContact O-N 2.94Å; V24-L50 HydrophobicContact CG2-CD2 4.47Å; V24-F53 HydrophobicContact CG1-CE1 3.95Å; V24-F53 HydrophobicContact CG2-CE1 3.8Å; V24-F53 HydrophobicContact CG2-CZ 3.81Å
25	H	97.8	Very high	97.1	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-63.6	-36.1	176.3	-67	-178.5	0	0	0	112.7	V21 Y23 R27 R28 I29 F59 E100 D103 S165	V21-H25 VanDerWaalsContact CG1-CE1 3.45Å; V21-H25 WeakPolarHBondContact CG1-CE1 3.5Å; V21-H25 PolarHBondContact O-N 3.26Å; Y23-H25 PolarHBondContact O-N 3.23Å; H25-R27 PolarHBondContact O-N 3.17Å; H25-R28 WeakPolarHBondContact O-CA 3.37Å; H25-R28 PolarHBondContact O-N 2.63Å; H25-I29 PolarHBondContact CD2-O 3.24Å; H25-F59 HydrophobicContact CB-CZ 4.09Å; H25-F59 WeakPolarHBondContact O-CZ 3.47Å; H25-E100 HydrophobicContact CB-CG 4.4Å; H25-E100 PolarHBondContact CE1-O 3.4Å; H25-E100 WeakPolarHBondContact ND1-CG 3.38Å; H25-E100 PolarHBondContact NE2-O 3.2Å; H25-D103 IonicContact CD2-OD2 3.26Å; H25-D103 WeakPolarHBondContact NE2-CB 3.35Å; H25-D103 IonicContact NE2-OD2 3.22Å; H25-D103 PolarHBondContact NE2-OD2 3.38Å; H25-D103 VanDerWaalsContact NE2-OD2 3.12Å; H25-S165 WeakPolarHBondContact ND1-CB 3.15Å; H25-S165 PolarHBondContact ND1-OG 3.19Å
26	S	97.4	Very high	97	Very high	79 Å²	79	45.3 Å²	45.3	55%	0.552	21%	0.212	S	C	*	.	H	α-helix	trans	-63.6	-20.9	175.1	82.7	0	0	0	0	113	R22 Y23 V24 R28	R22-S26 WeakPolarHBondContact O-CB 3.5Å; R22-S26 PolarHBondContact O-N 3.47Å; Y23-S26 WeakPolarHBondContact O-CB 3.38Å; Y23-S26 PolarHBondContact O-N 3.18Å; Y23-S26 VanDerWaalsContact O-N 3.15Å; Y23-S26 PolarHBondContact O-OG 3.3Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 3.08Å; S26-R28 VanDerWaalsContact C-N 3.31Å
27	R	97.3	Very high	96.9	Very high	152 Å²	152	46.9 Å²	46.9	57%	0.574	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	8.7	171.9	-59.3	-55.7	-167.5	174.6	3.4	113.4	Y23 V24 H25 I29	Y23-R27 HydrophobicContact CE1-CG 4.16Å; Y23-R27 WeakPolarHBondContact O-CG 3.43Å; Y23-R27 PolarHBondContact O-N 3.46Å; Y23-R27 PolarHBondContact OH-NE 3.14Å; Y23-R27 PolarHBondContact OH-NH2 2.95Å; V24-R27 WeakPolarHBondContact O-CA 3.08Å; V24-R27 WeakPolarHBondContact O-CB 3.47Å; V24-R27 PolarHBondContact O-N 3.36Å; H25-R27 PolarHBondContact O-N 3.17Å; R27-I29 HydrophobicContact CB-CD1 4.02Å; R27-I29 HydrophobicContact CB-CG1 4.27Å; R27-I29 PolarHBondContact O-N 2.84Å
28	R	95.8	Very high	96.9	Very high	122 Å²	122	47.4 Å²	47.4	46%	0.46	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	34.5	-175.3	-55.7	-179.3	62.4	73.6	-2.5	113	H25 S26 G58 F59 D60	H25-R28 WeakPolarHBondContact O-CA 3.37Å; H25-R28 PolarHBondContact O-N 2.63Å; S26-R28 VanDerWaalsContact C-N 3.31Å; R28-G58 WeakPolarHBondContact O-CA 3.45Å; R28-F59 VanDerWaalsContact C-CE1 3.47Å; R28-F59 HydrophobicContact CB-CB 4.38Å; R28-F59 HydrophobicContact CB-CD1 4.3Å; R28-F59 HydrophobicContact CB-CD2 4.3Å; R28-F59 HydrophobicContact CB-CG 4.07Å; R28-F59 HydrophobicContact CG-CD2 4.48Å; R28-F59 VanDerWaalsContact O-CD1 3.27Å; R28-F59 WeakPolarHBondContact O-CD1 2.96Å; R28-F59 PolarHBondContact O-N 2.58Å; R28-D60 IonicContact CZ-OD2 3.96Å; R28-D60 IonicContact NE-OD2 2.88Å; R28-D60 PolarHBondContact NE-OD2 3Å; R28-D60 IonicContact NH2-OD1 3.03Å; R28-D60 PolarHBondContact NH2-OD1 3.08Å; R28-D60 IonicContact NH2-OD2 2.66Å; R28-D60 PolarHBondContact NH2-OD2 3.33Å
29	I	95.9	Very high	96.8	Very high	62 Å²	62	48.5 Å²	48.5	32%	0.318	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.8	177.4	-63.4	169.6	0	0	0	108.4	V24 H25 R27 F53 A56 C57 F59	V24-I29 CarbonylContact C-O 3.59Å; V24-I29 HydrophobicContact CG1-CB 3.86Å; V24-I29 HydrophobicContact CG1-CG2 3.76Å; V24-I29 WeakPolarHBondContact CG1-O 3.23Å; V24-I29 PolarHBondContact O-N 2.94Å; H25-I29 PolarHBondContact CD2-O 3.24Å; R27-I29 HydrophobicContact CB-CD1 4.02Å; R27-I29 HydrophobicContact CB-CG1 4.27Å; R27-I29 PolarHBondContact O-N 2.84Å; I29-F53 HydrophobicContact CG2-CD1 4.3Å; I29-F53 HydrophobicContact CG2-CE1 4.43Å; I29-A56 HydrophobicContact CG2-CB 3.96Å; I29-C57 CarbonylContact C-O 3.52Å; I29-C57 WeakPolarHBondContact CA-O 3.44Å; I29-F59 WeakPolarHBondContact O-CE1 3.38Å
30	I	95.8	Very high	96.8	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.5	167.4	-45.4	176.5	0	0	0	107.2	R32 A56 C57 F59 E100 V102	I30-R32 HydrophobicContact CB-CG 4.05Å; I30-R32 HydrophobicContact CG2-CG 3.53Å; I30-A56 CarbonylContact O-C 3.45Å; I30-A56 WeakPolarHBondContact O-CA 3.47Å; I30-A56 WeakPolarHBondContact O-CB 3.08Å; I30-C57 PolarHBondContact N-O 2.72Å; I30-C57 PolarHBondContact O-N 3.18Å; I30-F59 HydrophobicContact CD1-CD1 4.11Å; I30-F59 HydrophobicContact CD1-CE1 4.45Å; I30-F59 HydrophobicContact CG1-CD1 3.54Å; I30-F59 HydrophobicContact CG1-CE1 3.57Å; I30-E100 HydrophobicContact CG1-CB 4.05Å; I30-V102 HydrophobicContact CG2-CG2 3.65Å
31	H	96	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.			trans	-75.7	-44.2	-179.1	-170.2	-71.7	0	0	0	112.5	D33 I34 S51 D52 F53 D103	H31-D33 PolarHBondContact CE1-O 2.97Å; H31-D33 PolarHBondContact ND1-N 3.3Å; H31-D33 PolarHBondContact O-N 3.48Å; H31-I34 HydrophobicContact CB-CD1 4.26Å; H31-I34 HydrophobicContact CB-CG1 3.91Å; H31-I34 PolarHBondContact ND1-N 3.09Å; H31-S51 PolarHBondContact CE1-O 3.39Å; H31-S51 VanDerWaalsContact CE1-O 3.27Å; H31-S51 PolarHBondContact NE2-O 3.02Å; H31-D52 PolarHBondContact CE1-O 3.22Å; H31-D52 PolarHBondContact NE2-O 2.89Å; H31-F53 AromaticContact CD2-CD1 3.87Å; H31-F53 AromaticContact CD2-CE1 3.59Å; H31-F53 AromaticContact CD2-CZ 3.71Å; H31-D103 WeakPolarHBondContact CA-OD2 3.44Å; H31-D103 VanDerWaalsContact CB-OD2 3.23Å; H31-D103 WeakPolarHBondContact CB-OD2 3.4Å; H31-D103 PolarHBondContact N-OD2 3.24Å
32	R	94.4	Very high	96.5	Very high	45 Å²	45	58.2 Å²	58.2	17%	0.17	29%	0.285	C	S	.	.			trans	66.8	-14.1	176.9	-55	-166.2	-71.4	169	2.8	117.4	I30 L55 C57 Q92 Y98 D103	I30-R32 HydrophobicContact CB-CG 4.05Å; I30-R32 HydrophobicContact CG2-CG 3.53Å; R32-L55 HydrophobicContact CB-CB 4.33Å; R32-L55 PolarHBondContact NE-O 2.69Å; R32-L55 PolarHBondContact NH2-O 3.25Å; R32-C57 PolarHBondContact NE-SG 2.77Å; R32-Q92 PolarHBondContact O-NE2 2.88Å; R32-Y98 WeakPolarHBondContact CD-OH 3.41Å; R32-Y98 HydrophobicContact CG-CE2 4.15Å; R32-Y98 PolarHBondContact NH1-OH 3.49Å; R32-D103 WeakPolarHBondContact CA-OD1 3.42Å; R32-D103 PolarHBondContact N-OD1 2.99Å
33	D	94.9	Very high	96.2	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.091	30%	0.296	C	S	.	.			trans	-127.1	41.7	178.5	-159	27.2	0	0	0	114.1	H31 K35 N38 L55 T84	H31-D33 PolarHBondContact CE1-O 2.97Å; H31-D33 PolarHBondContact ND1-N 3.3Å; H31-D33 PolarHBondContact O-N 3.48Å; D33-K35 PolarHBondContact O-N 2.79Å; D33-K35 WeakPolarHBondContact OD1-CD 3.44Å; D33-K35 WeakPolarHBondContact OD1-CE 3.4Å; D33-K35 IonicContact OD1-NZ 2.86Å; D33-K35 PolarHBondContact OD1-NZ 3.14Å; D33-K35 VanDerWaalsContact OD2-CE 3.25Å; D33-K35 WeakPolarHBondContact OD2-CE 3.46Å; D33-K35 IonicContact OD2-NZ 3.54Å; D33-K35 PolarHBondContact OD2-NZ 2.95Å; D33-N38 PolarHBondContact O-ND2 3.12Å; D33-N38 PolarHBondContact OD2-ND2 2.91Å; D33-L55 HydrophobicContact CB-CB 4.42Å; D33-L55 HydrophobicContact CB-CD1 4.07Å; D33-T84 WeakPolarHBondContact OD1-CG2 3.49Å
34	I	97.3	Very high	95.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.314	C	S	.	.			trans	-72.3	115.7	176	-60.4	-176.3	0	0	0	109.5	V21 H31 I39 L50 D103 S106 V110	V21-I34 HydrophobicContact CG1-CD1 4.48Å; V21-I34 HydrophobicContact CG2-CD1 3.52Å; H31-I34 HydrophobicContact CB-CD1 4.26Å; H31-I34 HydrophobicContact CB-CG1 3.91Å; H31-I34 PolarHBondContact ND1-N 3.09Å; I34-I39 HydrophobicContact CG2-CD1 4.45Å; I34-L50 HydrophobicContact CD1-CD2 4.39Å; I34-L50 HydrophobicContact CG1-CD1 4.26Å; I34-D103 HydrophobicContact CD1-CB 3.56Å; I34-D103 HydrophobicContact CG1-CB 4.47Å; I34-S106 WeakPolarHBondContact O-CB 3.49Å; I34-V110 HydrophobicContact CG2-CG2 4.43Å
35	K	96.1	Very high	95	Very high	29 Å²	29	62.5 Å²	62.5	13%	0.126	34%	0.337	C	S	.	.	S	Bend	trans	-157.8	163.3	177.6	63.8	-167	175.4	-153.6	0	110.2	D33 A37 N38 T84 Y87	D33-K35 PolarHBondContact O-N 2.79Å; D33-K35 WeakPolarHBondContact OD1-CD 3.44Å; D33-K35 WeakPolarHBondContact OD1-CE 3.4Å; D33-K35 IonicContact OD1-NZ 2.86Å; D33-K35 PolarHBondContact OD1-NZ 3.14Å; D33-K35 VanDerWaalsContact OD2-CE 3.25Å; D33-K35 WeakPolarHBondContact OD2-CE 3.46Å; D33-K35 IonicContact OD2-NZ 3.54Å; D33-K35 PolarHBondContact OD2-NZ 2.95Å; K35-A37 HydrophobicContact CG-CB 4.27Å; K35-A37 PolarHBondContact O-N 3.13Å; K35-A37 VanDerWaalsContact O-N 3.12Å; K35-N38 WeakPolarHBondContact CE-ND2 3.49Å; K35-N38 HydrophobicContact CG-CB 4.27Å; K35-N38 PolarHBondContact O-N 3.45Å; K35-T84 HydrophobicContact CD-CG2 4.2Å; K35-Y87 HydrophobicContact CB-CD1 4.2Å; K35-Y87 HydrophobicContact CB-CD2 3.69Å; K35-Y87 HydrophobicContact CB-CE1 4.35Å; K35-Y87 HydrophobicContact CB-CE2 3.84Å; K35-Y87 HydrophobicContact CB-CG 3.87Å
36	P	95.6	Very high	94.7	Very high	61 Å²	61	62.1 Å²	62.1	40%	0.396	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34.1	-177.9	-28.2	37.1	0	0	0	114.1	N38 I39 Y87 V110	P36-N38 PolarHBondContact O-N 3.34Å; P36-I39 PolarHBondContact O-N 3.07Å; P36-Y87 WeakPolarHBondContact CD-OH 3.46Å; P36-Y87 HydrophobicContact CG-CE1 4.06Å; P36-Y87 WeakPolarHBondContact CG-OH 3.02Å; P36-V110 HydrophobicContact CG-CG2 4.41Å
37	A	95.3	Very high	94.6	Very high	72 Å²	72	66.1 Å²	66.1	60%	0.595	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-63.8	-21.7	177.5	0	0	0	0	0	113.7	K35	K35-A37 HydrophobicContact CG-CB 4.27Å; K35-A37 PolarHBondContact O-N 3.13Å; K35-A37 VanDerWaalsContact O-N 3.12Å
38	N	97	Very high	94.6	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.064	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-105.2	9.9	-177.9	-69	-0.6	0	0	0	112.3	D33 K35 P36 S51 D52	D33-N38 PolarHBondContact O-ND2 3.12Å; D33-N38 PolarHBondContact OD2-ND2 2.91Å; K35-N38 WeakPolarHBondContact CE-ND2 3.49Å; K35-N38 HydrophobicContact CG-CB 4.27Å; K35-N38 PolarHBondContact O-N 3.45Å; P36-N38 PolarHBondContact O-N 3.34Å; N38-S51 VanDerWaalsContact C-OG 3.25Å; N38-S51 WeakPolarHBondContact CA-OG 3.36Å; N38-S51 WeakPolarHBondContact CB-O 3.49Å; N38-S51 PolarHBondContact O-N 3.43Å; N38-S51 PolarHBondContact O-OG 3.39Å; N38-D52 HydrophobicContact CB-CB 4.45Å
39	I	97.6	Very high	94.7	Very high	24 Å²	24	56.9 Å²	56.9	12%	0.123	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.6	178.5	-63.6	165.6	0	0	0	108.6	L17 I34 P36 L41 V48 L50 V110	L17-I39 HydrophobicContact CD1-CD1 4.01Å; L17-I39 HydrophobicContact CD2-CD1 3.82Å; L17-I39 HydrophobicContact CD2-CG1 3.92Å; L17-I39 HydrophobicContact CD2-CG2 3.84Å; I34-I39 HydrophobicContact CG2-CD1 4.45Å; P36-I39 PolarHBondContact O-N 3.07Å; I39-L41 HydrophobicContact CG2-CD2 4.46Å; I39-V48 HydrophobicContact CG2-CG1 3.85Å; I39-L50 HydrophobicContact CG1-CD1 4.21Å; I39-V110 HydrophobicContact CD1-CG1 3.91Å; I39-V110 HydrophobicContact CD1-CG2 4.27Å
40	F	97.4	Very high	94.7	Very high	119 Å²	119	55.1 Å²	55.1	52%	0.522	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.7	178.6	-66.7	-83.3	0	0	0	111.4	V48 L49 S51	F40-V48 WeakPolarHBondContact O-CA 3.43Å; F40-L49 HydrophobicContact CB-CB 4.24Å; F40-L49 PolarHBondContact N-O 3.27Å; F40-L49 PolarHBondContact O-N 3.17Å; F40-S51 VanDerWaalsContact CD2-OG 3.25Å; F40-S51 WeakPolarHBondContact CD2-OG 3.35Å; F40-S51 WeakPolarHBondContact CE2-OG 3.32Å
41	L	96.9	Very high	94.8	Very high	93 Å²	93	56.1 Å²	56.1	49%	0.487	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.7	177.3	-59.2	-176.9	0	0	0	109.2	I13 I39 P46 V48	I13-L41 HydrophobicContact CD1-CD1 3.88Å; I13-L41 HydrophobicContact CD1-CD2 4.17Å; I13-L41 HydrophobicContact CG1-CD2 4.21Å; I13-L41 HydrophobicContact CG2-CD2 4.28Å; I39-L41 HydrophobicContact CG2-CD2 4.46Å; L41-P46 HydrophobicContact CB-CB 3.73Å; L41-P46 HydrophobicContact CB-CG 4.44Å; L41-P46 HydrophobicContact CD2-CB 4.11Å; L41-P46 HydrophobicContact CD2-CG 4.23Å; L41-P46 HydrophobicContact CG-CB 4.38Å; L41-V48 HydrophobicContact CD2-CB 4.4Å; L41-V48 HydrophobicContact CD2-CG1 4.38Å; L41-V48 HydrophobicContact CD2-CG2 3.74Å
42	N	94.5	Very high	94.6	Very high	112 Å²	112	60.2 Å²	60.2	60%	0.599	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.8	179.5	-176.1	25	0	0	0	112	P46 R47	N42-P46 VanDerWaalsContact O-CA 3.32Å; N42-P46 WeakPolarHBondContact O-CA 3.31Å; N42-R47 PolarHBondContact N-O 2.71Å; N42-R47 PolarHBondContact O-N 3.28Å
43	G	90.8	Very high	94.6	Very high	46 Å²	46	62.3 Å²	62.3	47%	0.474	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	174.6	177.7	0	0	0	0	0	114.6
44	P	84.3	Confident	94.4	Very high	137 Å²	137	64.5 Å²	64.5	89%	0.89	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-34.8	-176.5	28.1	-34.1	0	0	0	113.7	P46	P44-P46 WeakPolarHBondContact O-CD 3.35Å
45	M	87.3	Confident	93.9	Very high	114 Å²	114	67.8 Å²	67.8	56%	0.562	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	89.9	161.2	-175.5	63.7	76.9	0	0	105.2	Y12 R47	Y12-M45 HydrophobicContact CD1-CG 4.12Å; Y12-M45 HydrophobicContact CD1-SD 3.35Å; Y12-M45 WeakPolarHBondContact CD1-SD 3.32Å; Y12-M45 HydrophobicContact CD2-SD 4.13Å; Y12-M45 HydrophobicContact CE1-CG 3.44Å; Y12-M45 VanDerWaalsContact CE1-CG 3.44Å; Y12-M45 HydrophobicContact CE1-SD 3.33Å; Y12-M45 WeakPolarHBondContact CE1-SD 3.39Å; Y12-M45 HydrophobicContact CE2-CG 4.38Å; Y12-M45 HydrophobicContact CE2-SD 4.15Å; Y12-M45 HydrophobicContact CG-SD 3.75Å; M45-R47 PolarHBondContact O-N 3.42Å
46	P	90.8	Very high	93.6	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.032	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	132.9	-156.1	27	-34.1	0	0	0	110.9	L9 Y12 I13 Q16 L41 N42 P44 V48	L9-P46 HydrophobicContact CD1-CG 3.93Å; Y12-P46 WeakPolarHBondContact CE1-O 3.41Å; I13-P46 HydrophobicContact CD1-CG 4.05Å; I13-P46 HydrophobicContact CG1-CG 3.92Å; Q16-P46 PolarHBondContact NE2-O 3.12Å; L41-P46 HydrophobicContact CB-CB 3.73Å; L41-P46 HydrophobicContact CB-CG 4.44Å; L41-P46 HydrophobicContact CD2-CB 4.11Å; L41-P46 HydrophobicContact CD2-CG 4.23Å; L41-P46 HydrophobicContact CG-CB 4.38Å; N42-P46 VanDerWaalsContact O-CA 3.32Å; N42-P46 WeakPolarHBondContact O-CA 3.31Å; P44-P46 WeakPolarHBondContact O-CD 3.35Å; P46-V48 PolarHBondContact O-N 2.87Å
47	R	95.8	Very high	93.3	Very high	162 Å²	162	65.4 Å²	65.4	61%	0.611	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.8	157.2	-176	177.9	-176.9	-143.1	-1.4	107.6	N42 M45 L49	N42-R47 PolarHBondContact N-O 2.71Å; N42-R47 PolarHBondContact O-N 3.28Å; M45-R47 PolarHBondContact O-N 3.42Å; R47-L49 HydrophobicContact CG-CD2 4.31Å
48	V	97.6	Very high	93	Very high	14 Å²	14	63 Å²	63	9%	0.085	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.1	177.1	-176.8	0	0	0	0	109.5	I13 Q16 L17 I39 F40 L41 P46	I13-V48 HydrophobicContact CB-CG2 4.23Å; I13-V48 HydrophobicContact CG1-CG2 4.17Å; I13-V48 HydrophobicContact CG2-CG2 3.94Å; Q16-V48 HydrophobicContact CB-CB 3.8Å; Q16-V48 HydrophobicContact CB-CG2 3.76Å; Q16-V48 HydrophobicContact CG-CG2 4.37Å; L17-V48 HydrophobicContact CD2-CG1 3.5Å; L17-V48 VanDerWaalsContact CD2-CG1 3.5Å; L17-V48 HydrophobicContact CG-CG1 3.89Å; I39-V48 HydrophobicContact CG2-CG1 3.85Å; F40-V48 WeakPolarHBondContact O-CA 3.43Å; L41-V48 HydrophobicContact CD2-CB 4.4Å; L41-V48 HydrophobicContact CD2-CG1 4.38Å; L41-V48 HydrophobicContact CD2-CG2 3.74Å; P46-V48 PolarHBondContact O-N 2.87Å
49	L	96.7	Very high	92.5	Very high	66 Å²	66	65.3 Å²	65.3	35%	0.346	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.1	176.3	-59.6	173.2	0	0	0	109.2	F40 R47	F40-L49 HydrophobicContact CB-CB 4.24Å; F40-L49 PolarHBondContact N-O 3.27Å; F40-L49 PolarHBondContact O-N 3.17Å; R47-L49 HydrophobicContact CG-CD2 4.31Å
50	L	97.3	Very high	91.7	Very high	26 Å²	26	70.5 Å²	70.5	14%	0.136	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135	166.9	-174.4	62.3	0	0	0	109	A20 V21 V24 I34 I39	A20-L50 HydrophobicContact CB-CB 4.34Å; V21-L50 HydrophobicContact CG2-CD2 4.29Å; V24-L50 HydrophobicContact CG2-CD2 4.47Å; I34-L50 HydrophobicContact CD1-CD2 4.39Å; I34-L50 HydrophobicContact CG1-CD1 4.26Å; I39-L50 HydrophobicContact CG1-CD1 4.21Å
51	S	96.1	Very high	90.4	Very high	24 Å²	24	70.6 Å²	70.6	17%	0.168	40%	0.397	C	S	.	.			trans	-142.6	172.2	-169.1	68.6	0	0	0	0	111.7	H31 N38 F40	H31-S51 PolarHBondContact CE1-O 3.39Å; H31-S51 VanDerWaalsContact CE1-O 3.27Å; H31-S51 PolarHBondContact NE2-O 3.02Å; N38-S51 VanDerWaalsContact C-OG 3.25Å; N38-S51 WeakPolarHBondContact CA-OG 3.36Å; N38-S51 WeakPolarHBondContact CB-O 3.49Å; N38-S51 PolarHBondContact O-N 3.43Å; N38-S51 PolarHBondContact O-OG 3.39Å; F40-S51 VanDerWaalsContact CD2-OG 3.25Å; F40-S51 WeakPolarHBondContact CD2-OG 3.35Å; F40-S51 WeakPolarHBondContact CE2-OG 3.32Å
52	D	93.5	Very high	88.6	Confident	86 Å²	86	71.1 Å²	71.1	46%	0.46	40%	0.404	S	S	.	.			trans	60.9	76.2	179.1	-163.2	0.8	0	0	0	113.8	H31 N38 G54	H31-D52 PolarHBondContact CE1-O 3.22Å; H31-D52 PolarHBondContact NE2-O 2.89Å; N38-D52 HydrophobicContact CB-CB 4.45Å; D52-G54 PolarHBondContact O-N 3.42Å; D52-G54 PolarHBondContact OD1-N 2.96Å; D52-G54 VanDerWaalsContact OD1-N 3.12Å
53	F	94.1	Very high	86.9	Confident	88 Å²	88	66 Å²	66	39%	0.386	38%	0.377	S	S	.	.			trans	-86.4	22.5	171.9	-68.8	-101.1	0	0	0	111.5	V24 I29 H31 L55 A56	V24-F53 HydrophobicContact CG1-CE1 3.95Å; V24-F53 HydrophobicContact CG2-CE1 3.8Å; V24-F53 HydrophobicContact CG2-CZ 3.81Å; I29-F53 HydrophobicContact CG2-CD1 4.3Å; I29-F53 HydrophobicContact CG2-CE1 4.43Å; H31-F53 AromaticContact CD2-CD1 3.87Å; H31-F53 AromaticContact CD2-CE1 3.59Å; H31-F53 AromaticContact CD2-CZ 3.71Å; F53-L55 PolarHBondContact O-N 3.14Å; F53-A56 HydrophobicContact CB-CB 3.71Å; F53-A56 HydrophobicContact CD1-CB 3.74Å; F53-A56 HydrophobicContact CG-CB 4.22Å; F53-A56 VanDerWaalsContact O-CB 3.31Å; F53-A56 WeakPolarHBondContact O-CB 3.34Å; F53-A56 PolarHBondContact O-N 3.19Å
54	G	90.2	Very high	85.2	Confident	64 Å²	64	69 Å²	69	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.2	-178.8	0	0	0	0	0	113.3	D52	D52-G54 PolarHBondContact O-N 3.42Å; D52-G54 PolarHBondContact OD1-N 2.96Å; D52-G54 VanDerWaalsContact OD1-N 3.12Å
55	L	87.6	Confident	83.7	Confident	70 Å²	70	62.7 Å²	62.7	37%	0.366	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	12.2	171.1	-59.9	-175.7	0	0	0	112.4	R32 D33 F53	R32-L55 HydrophobicContact CB-CB 4.33Å; R32-L55 PolarHBondContact NE-O 2.69Å; R32-L55 PolarHBondContact NH2-O 3.25Å; D33-L55 HydrophobicContact CB-CB 4.42Å; D33-L55 HydrophobicContact CB-CD1 4.07Å; F53-L55 PolarHBondContact O-N 3.14Å
56	A	88.6	Confident	82.1	Confident	31 Å²	31	63.7 Å²	63.7	26%	0.256	35%	0.349	S	S	.	.			trans	-71.2	151.1	-177.4	0	0	0	0	0	112.7	I29 I30 F53	I29-A56 HydrophobicContact CG2-CB 3.96Å; I30-A56 CarbonylContact O-C 3.45Å; I30-A56 WeakPolarHBondContact O-CA 3.47Å; I30-A56 WeakPolarHBondContact O-CB 3.08Å; F53-A56 HydrophobicContact CB-CB 3.71Å; F53-A56 HydrophobicContact CD1-CB 3.74Å; F53-A56 HydrophobicContact CG-CB 4.22Å; F53-A56 VanDerWaalsContact O-CB 3.31Å; F53-A56 WeakPolarHBondContact O-CB 3.34Å; F53-A56 PolarHBondContact O-N 3.19Å
57	C	90.2	Very high	80.1	Confident	9 Å²	9	71.2 Å²	71.2	6%	0.061	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	162.1	174.1	70.9	0	0	0	0	112.2	I29 I30 R32 E61	I29-C57 CarbonylContact C-O 3.52Å; I29-C57 WeakPolarHBondContact CA-O 3.44Å; I30-C57 PolarHBondContact N-O 2.72Å; I30-C57 PolarHBondContact O-N 3.18Å; R32-C57 PolarHBondContact NE-SG 2.77Å; C57-E61 WeakPolarHBondContact CA-OE2 3.08Å; C57-E61 HydrophobicContact CB-CB 4.49Å; C57-E61 VanDerWaalsContact CB-OE2 3.32Å; C57-E61 WeakPolarHBondContact CB-OE2 3.32Å
58	G	88.2	Confident	77.5	Confident	21 Å²	21	72.4 Å²	72.4	22%	0.216	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	156.4	170.6	0	0	0	0	0	112.2	R28 D60 E61	R28-G58 WeakPolarHBondContact O-CA 3.45Å; G58-D60 PolarHBondContact O-N 2.67Å; G58-E61 PolarHBondContact N-OE2 3.39Å; G58-E61 PolarHBondContact O-N 3.05Å
59	F	87.6	Confident	74.8	Confident	60 Å²	60	78.9 Å²	78.9	26%	0.263	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.9	175.1	-73.5	16.3	0	0	0	113	H25 R28 I29 I30 E100	H25-F59 HydrophobicContact CB-CZ 4.09Å; H25-F59 WeakPolarHBondContact O-CZ 3.47Å; R28-F59 VanDerWaalsContact C-CE1 3.47Å; R28-F59 HydrophobicContact CB-CB 4.38Å; R28-F59 HydrophobicContact CB-CD1 4.3Å; R28-F59 HydrophobicContact CB-CD2 4.3Å; R28-F59 HydrophobicContact CB-CG 4.07Å; R28-F59 HydrophobicContact CG-CD2 4.48Å; R28-F59 VanDerWaalsContact O-CD1 3.27Å; R28-F59 WeakPolarHBondContact O-CD1 2.96Å; R28-F59 PolarHBondContact O-N 2.58Å; I29-F59 WeakPolarHBondContact O-CE1 3.38Å; I30-F59 HydrophobicContact CD1-CD1 4.11Å; I30-F59 HydrophobicContact CD1-CE1 4.45Å; I30-F59 HydrophobicContact CG1-CD1 3.54Å; I30-F59 HydrophobicContact CG1-CE1 3.57Å; F59-E100 HydrophobicContact CE1-CB 3.57Å; F59-E100 HydrophobicContact CE1-CG 4.36Å; F59-E100 HydrophobicContact CE2-CB 4.28Å; F59-E100 HydrophobicContact CE2-CG 4.27Å; F59-E100 HydrophobicContact CZ-CB 3.44Å; F59-E100 VanDerWaalsContact CZ-CB 3.44Å; F59-E100 HydrophobicContact CZ-CG 3.71Å
60	D	79.2	Confident	71.9	Confident	133 Å²	133	81.8 Å²	81.8	71%	0.711	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.8	-178.3	-57.3	-57.9	0	0	0	112.6	R28 G58	R28-D60 IonicContact CZ-OD2 3.96Å; R28-D60 IonicContact NE-OD2 2.88Å; R28-D60 PolarHBondContact NE-OD2 3Å; R28-D60 IonicContact NH2-OD1 3.03Å; R28-D60 PolarHBondContact NH2-OD1 3.08Å; R28-D60 IonicContact NH2-OD2 2.66Å; R28-D60 PolarHBondContact NH2-OD2 3.33Å; G58-D60 PolarHBondContact O-N 2.67Å
61	E	72	Confident	69.3	Low	121 Å²	121	84.4 Å²	84.4	57%	0.565	46%	0.458	S	S	*	.	S	Bend	trans	-84.4	131.8	173.7	-63.6	177.5	161.2	0	0	108.1	C57 G58 A63	C57-E61 WeakPolarHBondContact CA-OE2 3.08Å; C57-E61 HydrophobicContact CB-CB 4.49Å; C57-E61 VanDerWaalsContact CB-OE2 3.32Å; C57-E61 WeakPolarHBondContact CB-OE2 3.32Å; G58-E61 PolarHBondContact N-OE2 3.39Å; G58-E61 PolarHBondContact O-N 3.05Å; E61-A63 PolarHBondContact O-N 2.8Å
62	V	58.7	Low	66.2	Low	104 Å²	104	87.7 Å²	87.7	63%	0.63	48%	0.477	S	S	*	.			trans	-61.7	105.7	172.8	-178.4	0	0	0	0	106.6	I64 T97	V62-I64 HydrophobicContact CB-CG1 4.36Å; V62-I64 HydrophobicContact CG1-CG1 3.79Å; V62-I64 PolarHBondContact O-N 3.31Å; V62-T97 HydrophobicContact CG1-CG2 4.33Å
63	A	58	Low	63.5	Low	5 Å²	5	90.9 Å²	90.9	4%	0.041	49%	0.492	C	S	.	.			trans	-73.3	78.4	179.1	0	0	0	0	0	108.4	E61 G65 C96 Y98	E61-A63 PolarHBondContact O-N 2.8Å; A63-G65 PolarHBondContact O-N 3.21Å; A63-C96 CarbonylContact C-O 3.57Å; A63-C96 CarbonylContact O-C 3.55Å; A63-Y98 HydrophobicContact CB-CD1 4.45Å; A63-Y98 HydrophobicContact CB-CD2 3.98Å; A63-Y98 HydrophobicContact CB-CE1 3.97Å; A63-Y98 HydrophobicContact CB-CE2 3.44Å; A63-Y98 VanDerWaalsContact CB-CE2 3.44Å; A63-Y98 HydrophobicContact CB-CG 4.45Å; A63-Y98 VanDerWaalsContact CB-CZ 3.41Å; A63-Y98 WeakPolarHBondContact O-CE1 3.32Å
64	I	55.4	Low	60.5	Low	109 Å²	109	91.1 Å²	91.1	56%	0.559	50%	0.501	S	S	*	.			trans	-68.2	114	177	-58.8	174.2	0	0	0	106.4	V62	V62-I64 HydrophobicContact CB-CG1 4.36Å; V62-I64 HydrophobicContact CG1-CG1 3.79Å; V62-I64 PolarHBondContact O-N 3.31Å
65	G	52.2	Low	57.7	Low	5 Å²	5	94.5 Å²	94.5	5%	0.052	51%	0.509	C	S	.	.			trans	-62.3	143.4	171.8	0	0	0	0	0	110.8	A63 R67	A63-G65 PolarHBondContact O-N 3.21Å; G65-R67 VanDerWaalsContact C-N 3.25Å; G65-R67 PolarHBondContact O-N 3.06Å
66	D	53.9	Low	55	Low	135 Å²	135	94.9 Å²	94.9	72%	0.722	52%	0.523	S	S	*	.			trans	-66.7	82.3	177.5	-63	-40.3	0	0	0	109.9	E68	D66-E68 PolarHBondContact O-N 3.22Å
67	R	49.2	Very low	52.2	Low	162 Å²	162	96.7 Å²	96.7	61%	0.611	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	6.5	179.4	-85.3	-173.6	170.7	171.7	-0.4	114	G65 N94 C96	G65-R67 VanDerWaalsContact C-N 3.25Å; G65-R67 PolarHBondContact O-N 3.06Å; R67-N94 PolarHBondContact NH2-O 3.41Å; R67-N94 VanDerWaalsContact NH2-O 3.08Å; R67-C96 PolarHBondContact NH1-SG 3.16Å
68	E	41.4	Very low	49.4	Very low	188 Å²	188	104.8 Å²	104.8	88%	0.879	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-11.3	-172.9	-73.8	-159.5	156	0	0	116.4	D66	D66-E68 PolarHBondContact O-N 3.22Å
69	D	41	Very low	47.2	Very low	150 Å²	150	108.9 Å²	108.9	80%	0.802	61%	0.606	S	S	*	*			trans	-114.2	88.6	171	-80.9	-30.8	0	0	0	110.5	P71	D69-P71 WeakPolarHBondContact O-CD 3.41Å; D69-P71 VanDerWaalsContact O-N 3.07Å
70	N	36.6	Very low	45.1	Very low	127 Å²	127	112 Å²	112	68%	0.679	63%	0.63	S	S	*	*			trans	-55.3	111.2	158.5	-173.3	14.3	0	0	0	106.9	T72	N70-T72 PolarHBondContact O-N 3.06Å
71	P	41.9	Very low	43.7	Very low	81 Å²	81	108.2 Å²	108.2	53%	0.526	62%	0.622	S	S	.	*			trans	-77.8	77.1	175.9	32.2	-26.3	0	0	0	105.6	D69 I73	D69-P71 WeakPolarHBondContact O-CD 3.41Å; D69-P71 VanDerWaalsContact O-N 3.07Å; P71-I73 PolarHBondContact O-N 3.12Å
72	T	31.1	Very low	42.7	Very low	93 Å²	93	105.1 Å²	105.1	57%	0.571	61%	0.611	S	S	*	*			trans	-50	119.9	155.1	32.5	0	0	0	0	105.3	N70 T74	N70-T72 PolarHBondContact O-N 3.06Å; T72-T74 PolarHBondContact O-N 2.88Å
73	I	36.8	Very low	42.7	Very low	152 Å²	152	101 Å²	101	78%	0.779	59%	0.59	S	S	*	*			trans	-57.6	81.6	170.1	-62.7	170.1	0	0	0	106.1	P71 T75	P71-I73 PolarHBondContact O-N 3.12Å; I73-T75 HydrophobicContact CG2-CG2 4.2Å; I73-T75 PolarHBondContact O-N 2.9Å
74	T	30.5	Very low	43.4	Very low	94 Å²	94	103.2 Å²	103.2	58%	0.577	60%	0.603	S	S	*	*			trans	-85.6	94.5	170.7	48.4	0	0	0	0	105.2	T72 A76	T72-T74 PolarHBondContact O-N 2.88Å; T74-A76 PolarHBondContact O-N 3.32Å
75	T	31.8	Very low	44.8	Very low	134 Å²	134	100.9 Å²	100.9	82%	0.822	59%	0.588	S	S	*	*			trans	-62.2	56.8	161.6	41.9	0	0	0	0	110.6	I73	I73-T75 HydrophobicContact CG2-CG2 4.2Å; I73-T75 PolarHBondContact O-N 2.9Å
76	A	30.9	Very low	46.7	Very low	79 Å²	79	100.7 Å²	100.7	65%	0.653	59%	0.586	S	S	*	*	S	Bend	trans	-171.3	101.5	170.5	0	0	0	0	0	110.7	T74	T74-A76 PolarHBondContact O-N 3.32Å
77	G	29.5	Very low	48.6	Very low	69 Å²	69	95.3 Å²	95.3	71%	0.711	56%	0.555	S	S	*	*	S	Bend	trans	51.3	75.9	144.3	0	0	0	0	0	119.1
78	H	32.3	Very low	50.7	Low	178 Å²	178	87.9 Å²	87.9	82%	0.824	53%	0.529	S	S	*	.				-166.6	103.6	128.8	-83	144.5	0	0	0	108.7	V80	H78-V80 PolarHBondContact O-N 3.1Å
79	S	41.8	Very low	53.3	Low	108 Å²	108	79 Å²	79	76%	0.755	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	13	-164.9	33.9	0	0	0	0	116.6
80	V	43	Very low	55.7	Low	126 Å²	126	72.5 Å²	72.5	76%	0.764	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-31.5	-167.6	-174.1	0	0	0	0	113.1	H78	H78-V80 PolarHBondContact O-N 3.1Å
81	G	49.5	Very low	58.3	Low	52 Å²	52	67.3 Å²	67.3	54%	0.536	43%	0.425	S	S	.	.	S	Bend	trans	-96.3	-29.7	-179.6	0	0	0	0	0	115.2	G83 T84	G81-G83 VanDerWaalsContact C-N 3.27Å; G81-G83 PolarHBondContact O-N 3.4Å; G81-T84 PolarHBondContact O-N 2.89Å
82	V	50.9	Low	60.6	Low	57 Å²	57	65 Å²	65	35%	0.345	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.7	-171.9	-179.8	0	0	0	0	112.4	Y85	V82-Y85 HydrophobicContact CB-CE1 4.15Å; V82-Y85 HydrophobicContact CG1-CE1 3.75Å; V82-Y85 WeakPolarHBondContact O-CD1 3.5Å; V82-Y85 WeakPolarHBondContact O-CE1 3.41Å
83	G	60	Low	63.3	Low	18 Å²	18	64.3 Å²	64.3	19%	0.186	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-37.6	-179.2	0	0	0	0	0	113.7	G81 Y87	G81-G83 VanDerWaalsContact C-N 3.27Å; G81-G83 PolarHBondContact O-N 3.4Å; G83-Y87 WeakPolarHBondContact O-CD2 3.21Å; G83-Y87 WeakPolarHBondContact O-CE2 3.21Å
84	T	71.1	Confident	65.5	Low	51 Å²	51	62.5 Å²	62.5	31%	0.313	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-72.6	-39.5	-167.2	-56.6	0	0	0	0	112.5	D33 K35 G81 L86 Y87	D33-T84 WeakPolarHBondContact OD1-CG2 3.49Å; K35-T84 HydrophobicContact CD-CG2 4.2Å; G81-T84 PolarHBondContact O-N 2.89Å; T84-L86 PolarHBondContact O-N 2.73Å; T84-L86 VanDerWaalsContact O-N 3.08Å; T84-Y87 PolarHBondContact O-N 3.43Å
85	Y	86.4	Confident	67.6	Low	60 Å²	60	60.3 Å²	60.3	24%	0.235	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-64.9	-18.5	-177.4	75	-103.8	0	0	0	113.7	V82 Y87 A88 R132	V82-Y85 HydrophobicContact CB-CE1 4.15Å; V82-Y85 HydrophobicContact CG1-CE1 3.75Å; V82-Y85 WeakPolarHBondContact O-CD1 3.5Å; V82-Y85 WeakPolarHBondContact O-CE1 3.41Å; Y85-Y87 PolarHBondContact O-N 3.06Å; Y85-A88 PolarHBondContact O-N 3.17Å; Y85-R132 PolarHBondContact O-NH1 2.67Å
86	L	90.6	Very high	69.5	Low	1 Å²	1	56.1 Å²	56.1	1%	0.005	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-65.2	-29.9	179.4	-64.5	165.9	0	0	0	111.9	T84 I125 L128 R132	T84-L86 PolarHBondContact O-N 2.73Å; T84-L86 VanDerWaalsContact O-N 3.08Å; L86-I125 HydrophobicContact CD1-CD1 3.29Å; L86-I125 HydrophobicContact CD2-CD1 4.4Å; L86-I125 HydrophobicContact CG-CD1 4.43Å; L86-L128 HydrophobicContact CB-CD1 4.12Å; L86-L128 HydrophobicContact CD1-CD1 4.17Å; L86-L128 HydrophobicContact CD2-CB 4.44Å; L86-R132 PolarHBondContact O-NH1 2.97Å
87	Y	94.9	Very high	71.9	Confident	21 Å²	21	57 Å²	57	8%	0.082	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-28.5	176.6	-55.9	-80.6	0	0	0	112.5	K35 P36 G83 T84 Y85 A89 Y105 S106 V109 V110 E113 R124	K35-Y87 HydrophobicContact CB-CD1 4.2Å; K35-Y87 HydrophobicContact CB-CD2 3.69Å; K35-Y87 HydrophobicContact CB-CE1 4.35Å; K35-Y87 HydrophobicContact CB-CE2 3.84Å; K35-Y87 HydrophobicContact CB-CG 3.87Å; P36-Y87 WeakPolarHBondContact CD-OH 3.46Å; P36-Y87 HydrophobicContact CG-CE1 4.06Å; P36-Y87 WeakPolarHBondContact CG-OH 3.02Å; G83-Y87 WeakPolarHBondContact O-CD2 3.21Å; G83-Y87 WeakPolarHBondContact O-CE2 3.21Å; T84-Y87 PolarHBondContact O-N 3.43Å; Y85-Y87 PolarHBondContact O-N 3.06Å; Y87-A89 PolarHBondContact O-N 3.17Å; Y87-Y105 WeakPolarHBondContact O-CD1 3.47Å; Y87-S106 WeakPolarHBondContact O-CA 3.47Å; Y87-S106 PolarHBondContact O-OG 2.89Å; Y87-S106 VanDerWaalsContact O-OG 3.05Å; Y87-V109 HydrophobicContact CD1-CB 3.99Å; Y87-V109 HydrophobicContact CD1-CG1 3.47Å; Y87-V109 VanDerWaalsContact CD1-CG1 3.47Å; Y87-V109 HydrophobicContact CE1-CG1 3.79Å; Y87-V109 HydrophobicContact CG-CG1 4.34Å; Y87-V110 HydrophobicContact CD1-CG2 4.16Å; Y87-V110 HydrophobicContact CE1-CG2 4.17Å; Y87-E113 WeakPolarHBondContact CE1-OE2 3.19Å; Y87-E113 PolarHBondContact OH-OE2 3.39Å; Y87-R124 PolarHBondContact OH-NH2 2.99Å
88	A	93.7	Very high	74.8	Confident	7 Å²	7	55.2 Å²	55.2	6%	0.058	32%	0.323	C	S	.	.	S	Bend	trans	-64.2	131.7	-177.3	0	0	0	0	0	112	Y85 L93 R132	Y85-A88 PolarHBondContact O-N 3.17Å; A88-L93 HydrophobicContact CB-CD2 4.04Å; A88-L93 HydrophobicContact CB-CG 4.34Å; A88-R132 PolarHBondContact O-NH1 2.88Å; A88-R132 PolarHBondContact O-NH2 3.39Å; A88-R132 VanDerWaalsContact O-NH2 3.17Å
89	A	94.1	Very high	77.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.299	C	S	.	.			trans	-58.7	147.6	175.8	0	0	0	0	0	111.6	Y87 E91 Q92 L93 V102 Y105	Y87-A89 PolarHBondContact O-N 3.17Å; A89-E91 VanDerWaalsContact CB-CD 3.47Å; A89-E91 HydrophobicContact CB-CG 4.29Å; A89-E91 WeakPolarHBondContact CB-OE1 3.25Å; A89-E91 PolarHBondContact O-N 2.91Å; A89-Q92 HydrophobicContact CB-CB 4.41Å; A89-Q92 VanDerWaalsContact O-CB 3.27Å; A89-Q92 WeakPolarHBondContact O-CB 3.36Å; A89-Q92 PolarHBondContact O-N 3.36Å; A89-L93 PolarHBondContact O-N 2.65Å; A89-V102 HydrophobicContact CB-CB 3.92Å; A89-V102 HydrophobicContact CB-CG1 3.86Å; A89-Y105 VanDerWaalsContact CA-CD1 3.45Å; A89-Y105 HydrophobicContact CB-CD1 3.94Å; A89-Y105 HydrophobicContact CB-CD2 4.3Å; A89-Y105 HydrophobicContact CB-CG 3.72Å
90	P	92.3	Very high	80.2	Confident	14 Å²	14	46.1 Å²	46.1	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-54.7	-39.8	-180	-27.8	36.4	0	0	0	113.4	Q92 L93 N94 Y105	P90-Q92 VanDerWaalsContact C-N 3.32Å; P90-Q92 PolarHBondContact O-N 3.25Å; P90-L93 PolarHBondContact O-N 3.05Å; P90-N94 WeakPolarHBondContact O-CB 3.45Å; P90-N94 VanDerWaalsContact O-CG 3.26Å; P90-N94 PolarHBondContact O-N 3Å; P90-N94 PolarHBondContact O-ND2 2.93Å; P90-Y105 HydrophobicContact CG-CE2 4.16Å
91	E	91.3	Very high	82.8	Confident	18 Å²	18	41.1 Å²	41.1	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-34	176.2	63.3	-83.5	-162.7	0	0	112.5	A89 L93 N94 T95 V102 S159 R162	A89-E91 VanDerWaalsContact CB-CD 3.47Å; A89-E91 HydrophobicContact CB-CG 4.29Å; A89-E91 WeakPolarHBondContact CB-OE1 3.25Å; A89-E91 PolarHBondContact O-N 2.91Å; E91-L93 PolarHBondContact O-N 3.37Å; E91-L93 VanDerWaalsContact O-N 3.15Å; E91-N94 PolarHBondContact O-N 3.33Å; E91-T95 HydrophobicContact CB-CG2 4.36Å; E91-T95 PolarHBondContact O-N 3.32Å; E91-T95 PolarHBondContact O-OG1 3.18Å; E91-V102 HydrophobicContact CG-CG1 4.03Å; E91-S159 WeakPolarHBondContact OE1-CB 3.4Å; E91-R162 IonicContact OE1-CZ 3.47Å; E91-R162 IonicContact OE1-NH1 3.61Å; E91-R162 PolarHBondContact OE1-NH1 3.15Å; E91-R162 IonicContact OE1-NH2 2.66Å; E91-R162 PolarHBondContact OE1-NH2 2.89Å; E91-R162 IonicContact OE2-NH2 3.12Å; E91-R162 PolarHBondContact OE2-NH2 3.46Å; E91-R162 VanDerWaalsContact OE2-NH2 3.14Å
92	Q	90.3	Very high	85	Confident	32 Å²	32	38.7 Å²	38.7	15%	0.15	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-26.6	174.8	-167.8	170.8	-69.3	0	0	112.1	R32 A89 P90 Y98 V102	R32-Q92 PolarHBondContact O-NE2 2.88Å; A89-Q92 HydrophobicContact CB-CB 4.41Å; A89-Q92 VanDerWaalsContact O-CB 3.27Å; A89-Q92 WeakPolarHBondContact O-CB 3.36Å; A89-Q92 PolarHBondContact O-N 3.36Å; P90-Q92 VanDerWaalsContact C-N 3.32Å; P90-Q92 PolarHBondContact O-N 3.25Å; Q92-Y98 HydrophobicContact CB-CD1 4.45Å; Q92-Y98 HydrophobicContact CB-CE1 4.49Å; Q92-Y98 HydrophobicContact CG-CD1 4.47Å; Q92-Y98 HydrophobicContact CG-CE1 4.03Å; Q92-V102 HydrophobicContact CB-CG1 4.38Å
93	L	87.1	Confident	87.2	Confident	80 Å²	80	36 Å²	36	42%	0.419	20%	0.197	S	C	.	.	H	α-helix	trans	-94.1	-28.3	178.4	-55.6	-178.6	0	0	0	113.4	A88 A89 P90 E91 R132	A88-L93 HydrophobicContact CB-CD2 4.04Å; A88-L93 HydrophobicContact CB-CG 4.34Å; A89-L93 PolarHBondContact O-N 2.65Å; P90-L93 PolarHBondContact O-N 3.05Å; E91-L93 PolarHBondContact O-N 3.37Å; E91-L93 VanDerWaalsContact O-N 3.15Å; L93-R132 VanDerWaalsContact CD1-NH2 3.27Å
94	N	82.8	Confident	89.1	Confident	113 Å²	113	35.1 Å²	35.1	60%	0.604	19%	0.188	S	C	*	.	H	α-helix	trans	-101.9	-30.5	-169	-67.5	-36.6	0	0	0	113.2	R67 P90 E91	R67-N94 PolarHBondContact NH2-O 3.41Å; R67-N94 VanDerWaalsContact NH2-O 3.08Å; P90-N94 WeakPolarHBondContact O-CB 3.45Å; P90-N94 VanDerWaalsContact O-CG 3.26Å; P90-N94 PolarHBondContact O-N 3Å; P90-N94 PolarHBondContact O-ND2 2.93Å; E91-N94 PolarHBondContact O-N 3.33Å
95	T	75.8	Confident	90.3	Very high	48 Å²	48	32.7 Å²	32.7	29%	0.294	17%	0.173	S	C	.	.			trans	-111.2	163.2	-172.8	71.7	0	0	0	0	111.6	E91 T97	E91-T95 HydrophobicContact CB-CG2 4.36Å; E91-T95 PolarHBondContact O-N 3.32Å; E91-T95 PolarHBondContact O-OG1 3.18Å; T95-T97 VanDerWaalsContact C-N 3.32Å; T95-T97 PolarHBondContact OG1-N 3.31Å; T95-T97 PolarHBondContact OG1-O 2.92Å
96	C	71.8	Confident	90.9	Very high	47 Å²	47	29.9 Å²	29.9	32%	0.318	16%	0.162	S	C	.	.	S	Bend	trans	-89.2	-2.2	169.6	-71	0	0	0	0	112.8	A63 R67	A63-C96 CarbonylContact C-O 3.57Å; A63-C96 CarbonylContact O-C 3.55Å; R67-C96 PolarHBondContact NH1-SG 3.16Å
97	T	81.8	Confident	91.2	Very high	97 Å²	97	29.9 Å²	29.9	60%	0.595	16%	0.162	S	C	*	.			trans	-145.9	125.5	-171.4	55.3	0	0	0	0	109	V62 T95	V62-T97 HydrophobicContact CG1-CG2 4.33Å; T95-T97 VanDerWaalsContact C-N 3.32Å; T95-T97 PolarHBondContact OG1-N 3.31Å; T95-T97 PolarHBondContact OG1-O 2.92Å
98	Y	89.1	Confident	91.3	Very high	32 Å²	32	28.9 Å²	28.9	13%	0.125	16%	0.158	C	C	.	.			trans	-148.1	166.6	174.9	51.6	-96.2	0	0	0	108.5	R32 A63 Q92 V102	R32-Y98 WeakPolarHBondContact CD-OH 3.41Å; R32-Y98 HydrophobicContact CG-CE2 4.15Å; R32-Y98 PolarHBondContact NH1-OH 3.49Å; A63-Y98 HydrophobicContact CB-CD1 4.45Å; A63-Y98 HydrophobicContact CB-CD2 3.98Å; A63-Y98 HydrophobicContact CB-CE1 3.97Å; A63-Y98 HydrophobicContact CB-CE2 3.44Å; A63-Y98 VanDerWaalsContact CB-CE2 3.44Å; A63-Y98 HydrophobicContact CB-CG 4.45Å; A63-Y98 VanDerWaalsContact CB-CZ 3.41Å; A63-Y98 WeakPolarHBondContact O-CE1 3.32Å; Q92-Y98 HydrophobicContact CB-CD1 4.45Å; Q92-Y98 HydrophobicContact CB-CE1 4.49Å; Q92-Y98 HydrophobicContact CG-CD1 4.47Å; Q92-Y98 HydrophobicContact CG-CE1 4.03Å; Y98-V102 HydrophobicContact CD2-CB 4.35Å; Y98-V102 HydrophobicContact CD2-CG1 3.53Å; Y98-V102 HydrophobicContact CD2-CG2 3.93Å; Y98-V102 HydrophobicContact CE2-CG1 4.38Å; Y98-V102 HydrophobicContact CE2-CG2 4.16Å; Y98-V102 HydrophobicContact CG-CG1 3.78Å
99	D	92.7	Very high	91.4	Very high	59 Å²	59	28.6 Å²	28.6	32%	0.316	16%	0.156	S	C	.	.			trans	-112	-169.7	-178.1	65.6	11	0	0	0	111.2	K101 V102	D99-K101 PolarHBondContact O-N 3.36Å; D99-K101 VanDerWaalsContact O-N 3.14Å; D99-K101 WeakPolarHBondContact OD1-CB 3.31Å; D99-K101 WeakPolarHBondContact OD1-CG 3.35Å; D99-K101 PolarHBondContact OD1-N 3.41Å; D99-V102 WeakPolarHBondContact O-CG2 3.38Å; D99-V102 PolarHBondContact O-N 3.41Å
100	E	95.7	Very high	91.6	Very high	35 Å²	35	28.9 Å²	28.9	16%	0.164	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.7	-179	82.1	-69.3	166.6	0	0	113.8	H25 I30 F59 V102 D103	H25-E100 HydrophobicContact CB-CG 4.4Å; H25-E100 PolarHBondContact CE1-O 3.4Å; H25-E100 WeakPolarHBondContact ND1-CG 3.38Å; H25-E100 PolarHBondContact NE2-O 3.2Å; I30-E100 HydrophobicContact CG1-CB 4.05Å; F59-E100 HydrophobicContact CE1-CB 3.57Å; F59-E100 HydrophobicContact CE1-CG 4.36Å; F59-E100 HydrophobicContact CE2-CB 4.28Å; F59-E100 HydrophobicContact CE2-CG 4.27Å; F59-E100 HydrophobicContact CZ-CB 3.44Å; F59-E100 VanDerWaalsContact CZ-CB 3.44Å; F59-E100 HydrophobicContact CZ-CG 3.71Å; E100-V102 PolarHBondContact O-N 3Å; E100-V102 VanDerWaalsContact O-N 3.09Å; E100-D103 WeakPolarHBondContact O-CB 3.47Å; E100-D103 PolarHBondContact O-N 3.1Å; E100-D103 VanDerWaalsContact O-N 3.13Å
101	K	97	Very high	91.8	Very high	22 Å²	22	28.2 Å²	28.2	10%	0.096	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-14.5	-179	-56.6	-71.7	179.4	113.6	0	112.2	D99 D103 V104 Y105 R162 L163 S164 E167	D99-K101 PolarHBondContact O-N 3.36Å; D99-K101 VanDerWaalsContact O-N 3.14Å; D99-K101 WeakPolarHBondContact OD1-CB 3.31Å; D99-K101 WeakPolarHBondContact OD1-CG 3.35Å; D99-K101 PolarHBondContact OD1-N 3.41Å; K101-D103 PolarHBondContact O-N 3.08Å; K101-V104 WeakPolarHBondContact O-CB 3.43Å; K101-V104 PolarHBondContact O-N 3.38Å; K101-Y105 PolarHBondContact O-N 2.95Å; K101-R162 VanDerWaalsContact C-NH1 3.3Å; K101-R162 PolarHBondContact NZ-O 3.34Å; K101-R162 WeakPolarHBondContact O-CD 3.34Å; K101-R162 PolarHBondContact O-NH1 3.4Å; K101-L163 WeakPolarHBondContact CD-O 3.47Å; K101-S164 VanDerWaalsContact CE-CB 3.5Å; K101-E167 IonicContact NZ-OE2 3.36Å
102	V	96	Very high	92	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-32.5	173.2	-58.8	0	0	0	0	112.6	I30 A89 E91 Q92 Y98 D99 E100 Y105 S106	I30-V102 HydrophobicContact CG2-CG2 3.65Å; A89-V102 HydrophobicContact CB-CB 3.92Å; A89-V102 HydrophobicContact CB-CG1 3.86Å; E91-V102 HydrophobicContact CG-CG1 4.03Å; Q92-V102 HydrophobicContact CB-CG1 4.38Å; Y98-V102 HydrophobicContact CD2-CB 4.35Å; Y98-V102 HydrophobicContact CD2-CG1 3.53Å; Y98-V102 HydrophobicContact CD2-CG2 3.93Å; Y98-V102 HydrophobicContact CE2-CG1 4.38Å; Y98-V102 HydrophobicContact CE2-CG2 4.16Å; Y98-V102 HydrophobicContact CG-CG1 3.78Å; D99-V102 WeakPolarHBondContact O-CG2 3.38Å; D99-V102 PolarHBondContact O-N 3.41Å; E100-V102 PolarHBondContact O-N 3Å; E100-V102 VanDerWaalsContact O-N 3.09Å; V102-Y105 WeakPolarHBondContact O-CB 3.49Å; V102-Y105 PolarHBondContact O-N 3Å; V102-S106 PolarHBondContact O-N 2.66Å; V102-S106 VanDerWaalsContact O-N 3.1Å; V102-S106 PolarHBondContact O-OG 2.88Å
103	D	97.9	Very high	92.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-71.1	-36.3	175.4	-75.9	-12.6	0	0	0	111	V21 H25 H31 R32 I34 E100 K101 Y105 S106 L107	V21-D103 HydrophobicContact CG1-CB 4.05Å; H25-D103 IonicContact CD2-OD2 3.26Å; H25-D103 WeakPolarHBondContact NE2-CB 3.35Å; H25-D103 IonicContact NE2-OD2 3.22Å; H25-D103 PolarHBondContact NE2-OD2 3.38Å; H25-D103 VanDerWaalsContact NE2-OD2 3.12Å; H31-D103 WeakPolarHBondContact CA-OD2 3.44Å; H31-D103 VanDerWaalsContact CB-OD2 3.23Å; H31-D103 WeakPolarHBondContact CB-OD2 3.4Å; H31-D103 PolarHBondContact N-OD2 3.24Å; R32-D103 WeakPolarHBondContact CA-OD1 3.42Å; R32-D103 PolarHBondContact N-OD1 2.99Å; I34-D103 HydrophobicContact CD1-CB 3.56Å; I34-D103 HydrophobicContact CG1-CB 4.47Å; E100-D103 WeakPolarHBondContact O-CB 3.47Å; E100-D103 PolarHBondContact O-N 3.1Å; E100-D103 VanDerWaalsContact O-N 3.13Å; K101-D103 PolarHBondContact O-N 3.08Å; D103-Y105 VanDerWaalsContact C-N 3.34Å; D103-S106 WeakPolarHBondContact O-CB 3.44Å; D103-S106 PolarHBondContact O-N 3.03Å; D103-L107 WeakPolarHBondContact O-CB 3.34Å; D103-L107 PolarHBondContact O-N 2.92Å
104	V	98.3	Very high	92.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-39.6	175	-180	0	0	0	0	111	K101 L107 G108 M154 R162 L163 L168	K101-V104 WeakPolarHBondContact O-CB 3.43Å; K101-V104 PolarHBondContact O-N 3.38Å; V104-L107 WeakPolarHBondContact O-CB 3.37Å; V104-L107 PolarHBondContact O-N 3.03Å; V104-G108 PolarHBondContact O-N 3.23Å; V104-M154 HydrophobicContact CG1-CB 4.09Å; V104-M154 HydrophobicContact CG1-CG 3.91Å; V104-R162 HydrophobicContact CG1-CG 4.25Å; V104-L163 WeakPolarHBondContact CG1-O 3.22Å; V104-L168 HydrophobicContact CG1-CD2 4.25Å
105	Y	97.4	Very high	93.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-50.1	173	-175.5	-84.1	0	0	0	111.7	Y87 A89 P90 K101 V102 D103 L107 G108 V109 R132 M154 V155	Y87-Y105 WeakPolarHBondContact O-CD1 3.47Å; A89-Y105 VanDerWaalsContact CA-CD1 3.45Å; A89-Y105 HydrophobicContact CB-CD1 3.94Å; A89-Y105 HydrophobicContact CB-CD2 4.3Å; A89-Y105 HydrophobicContact CB-CG 3.72Å; P90-Y105 HydrophobicContact CG-CE2 4.16Å; K101-Y105 PolarHBondContact O-N 2.95Å; V102-Y105 WeakPolarHBondContact O-CB 3.49Å; V102-Y105 PolarHBondContact O-N 3Å; D103-Y105 VanDerWaalsContact C-N 3.34Å; Y105-L107 PolarHBondContact O-N 3.3Å; Y105-G108 WeakPolarHBondContact O-CA 3.3Å; Y105-G108 PolarHBondContact O-N 3.39Å; Y105-V109 HydrophobicContact CD1-CG2 4.04Å; Y105-V109 HydrophobicContact CE1-CG2 3.69Å; Y105-V109 PolarHBondContact O-N 2.89Å; Y105-V109 VanDerWaalsContact O-N 3.08Å; Y105-R132 WeakPolarHBondContact OH-CA 3.31Å; Y105-R132 WeakPolarHBondContact OH-CG 3.48Å; Y105-M154 WeakPolarHBondContact CA-O 3.49Å; Y105-V155 HydrophobicContact CD2-CB 3.99Å; Y105-V155 HydrophobicContact CD2-CG1 4.11Å; Y105-V155 HydrophobicContact CE2-CB 3.79Å; Y105-V155 HydrophobicContact CE2-CG1 4.05Å
106	S	97.5	Very high	94.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-58.6	-39.9	179.3	-56.2	0	0	0	0	111.1	I34 Y87 V102 D103 G108 V109 V110	I34-S106 WeakPolarHBondContact O-CB 3.49Å; Y87-S106 WeakPolarHBondContact O-CA 3.47Å; Y87-S106 PolarHBondContact O-OG 2.89Å; Y87-S106 VanDerWaalsContact O-OG 3.05Å; V102-S106 PolarHBondContact O-N 2.66Å; V102-S106 VanDerWaalsContact O-N 3.1Å; V102-S106 PolarHBondContact O-OG 2.88Å; D103-S106 WeakPolarHBondContact O-CB 3.44Å; D103-S106 PolarHBondContact O-N 3.03Å; S106-G108 PolarHBondContact O-N 3.28Å; S106-V109 WeakPolarHBondContact O-CB 3.46Å; S106-V109 PolarHBondContact O-N 3.08Å; S106-V110 WeakPolarHBondContact O-CG2 3.48Å; S106-V110 PolarHBondContact O-N 3.05Å
107	L	97.9	Very high	95	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-38	173.7	-175.1	60.4	0	0	0	112.6	L14 L17 I18 V21 D103 V104 Y105 V109 V110 T111 M154 L168	L14-L107 HydrophobicContact CD1-CD1 4.18Å; L14-L107 HydrophobicContact CD1-CG 4.46Å; L17-L107 HydrophobicContact CB-CD1 3.73Å; L17-L107 HydrophobicContact CD1-CD1 4.04Å; L17-L107 HydrophobicContact CG-CD1 4.45Å; I18-L107 HydrophobicContact CG1-CD2 3.77Å; V21-L107 HydrophobicContact CG2-CD2 4.49Å; D103-L107 WeakPolarHBondContact O-CB 3.34Å; D103-L107 PolarHBondContact O-N 2.92Å; V104-L107 WeakPolarHBondContact O-CB 3.37Å; V104-L107 PolarHBondContact O-N 3.03Å; Y105-L107 PolarHBondContact O-N 3.3Å; L107-V109 VanDerWaalsContact C-N 3.35Å; L107-V110 PolarHBondContact O-N 3Å; L107-T111 WeakPolarHBondContact O-CB 3.48Å; L107-T111 PolarHBondContact O-N 3.36Å; L107-T111 PolarHBondContact O-OG1 2.99Å; L107-M154 HydrophobicContact CB-SD 4.36Å; L107-M154 HydrophobicContact CD2-SD 4.29Å; L107-M154 HydrophobicContact CG-SD 4.01Å; L107-L168 HydrophobicContact CD2-CD2 3.78Å
108	G	97	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-42	173	0	0	0	0	0	112.8	V104 Y105 S106 T111 L112	V104-G108 PolarHBondContact O-N 3.23Å; Y105-G108 WeakPolarHBondContact O-CA 3.3Å; Y105-G108 PolarHBondContact O-N 3.39Å; S106-G108 PolarHBondContact O-N 3.28Å; G108-T111 PolarHBondContact O-N 3.41Å; G108-L112 PolarHBondContact O-N 3.26Å; G108-L112 VanDerWaalsContact O-N 3.08Å
109	V	96.7	Very high	95.5	Very high	2 Å²	2	23 Å²	23	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-48.3	174.8	-179.4	0	0	0	0	110.8	Y87 Y105 S106 L107 T111 L112 E113 L128 L131	Y87-V109 HydrophobicContact CD1-CB 3.99Å; Y87-V109 HydrophobicContact CD1-CG1 3.47Å; Y87-V109 VanDerWaalsContact CD1-CG1 3.47Å; Y87-V109 HydrophobicContact CE1-CG1 3.79Å; Y87-V109 HydrophobicContact CG-CG1 4.34Å; Y105-V109 HydrophobicContact CD1-CG2 4.04Å; Y105-V109 HydrophobicContact CE1-CG2 3.69Å; Y105-V109 PolarHBondContact O-N 2.89Å; Y105-V109 VanDerWaalsContact O-N 3.08Å; S106-V109 WeakPolarHBondContact O-CB 3.46Å; S106-V109 PolarHBondContact O-N 3.08Å; L107-V109 VanDerWaalsContact C-N 3.35Å; V109-T111 VanDerWaalsContact C-N 3.3Å; V109-T111 PolarHBondContact O-N 3.38Å; V109-L112 PolarHBondContact O-N 3.18Å; V109-E113 PolarHBondContact O-N 2.84Å; V109-L128 HydrophobicContact CG1-CD1 4.21Å; V109-L128 HydrophobicContact CG1-CD2 3.93Å; V109-L131 HydrophobicContact CB-CD2 4.48Å; V109-L131 HydrophobicContact CG2-CD2 4.03Å
110	V	97.1	Very high	95.4	Very high	6 Å²	6	24 Å²	24	4%	0.036	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-42.5	176.6	170.4	0	0	0	0	111.2	L17 I34 P36 I39 Y87 S106 L107 L112 E113 M114	L17-V110 HydrophobicContact CD1-CG1 4.26Å; I34-V110 HydrophobicContact CG2-CG2 4.43Å; P36-V110 HydrophobicContact CG-CG2 4.41Å; I39-V110 HydrophobicContact CD1-CG1 3.91Å; I39-V110 HydrophobicContact CD1-CG2 4.27Å; Y87-V110 HydrophobicContact CD1-CG2 4.16Å; Y87-V110 HydrophobicContact CE1-CG2 4.17Å; S106-V110 WeakPolarHBondContact O-CG2 3.48Å; S106-V110 PolarHBondContact O-N 3.05Å; L107-V110 PolarHBondContact O-N 3Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 2.66Å; V110-E113 PolarHBondContact O-N 3.5Å; V110-E113 VanDerWaalsContact O-N 3.14Å; V110-M114 HydrophobicContact CG1-CG 4.36Å; V110-M114 HydrophobicContact CG1-SD 3.99Å; V110-M114 WeakPolarHBondContact O-CG 3.48Å; V110-M114 PolarHBondContact O-N 2.83Å
111	T	97	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-44.1	179	-57.4	0	0	0	0	111.3	L14 L107 G108 V109 E113 M114 F115 V147 I151 M154	L14-T111 HydrophobicContact CD1-CG2 4.23Å; L14-T111 VanDerWaalsContact CD1-OG1 3.23Å; L14-T111 WeakPolarHBondContact CD1-OG1 3.28Å; L14-T111 HydrophobicContact CD2-CG2 3.7Å; L107-T111 WeakPolarHBondContact O-CB 3.48Å; L107-T111 PolarHBondContact O-N 3.36Å; L107-T111 PolarHBondContact O-OG1 2.99Å; G108-T111 PolarHBondContact O-N 3.41Å; V109-T111 VanDerWaalsContact C-N 3.3Å; V109-T111 PolarHBondContact O-N 3.38Å; T111-E113 VanDerWaalsContact C-N 3.32Å; T111-E113 PolarHBondContact O-N 2.99Å; T111-M114 WeakPolarHBondContact O-CB 3.3Å; T111-M114 PolarHBondContact O-N 3.33Å; T111-F115 HydrophobicContact CG2-CD2 4.27Å; T111-F115 HydrophobicContact CG2-CE2 4.36Å; T111-F115 WeakPolarHBondContact O-CD2 3.36Å; T111-F115 PolarHBondContact O-N 3.46Å; T111-V147 HydrophobicContact CG2-CG1 3.87Å; T111-I151 HydrophobicContact CG2-CD1 4.02Å; T111-I151 HydrophobicContact CG2-CG1 3.77Å; T111-M154 HydrophobicContact CG2-CE 3.98Å
112	L	95.7	Very high	94.7	Very high	4 Å²	4	33 Å²	33	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-57.2	-47.4	174.9	178.6	63.3	0	0	0	111.1	G108 V109 V110 M114 F115 F116 L128 L131 F140 I151	G108-L112 PolarHBondContact O-N 3.26Å; G108-L112 VanDerWaalsContact O-N 3.08Å; V109-L112 PolarHBondContact O-N 3.18Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 2.66Å; L112-M114 VanDerWaalsContact C-N 3.29Å; L112-M114 PolarHBondContact O-N 2.74Å; L112-F115 PolarHBondContact O-N 3.22Å; L112-F116 HydrophobicContact CD1-CB 4.21Å; L112-F116 HydrophobicContact CD1-CD2 4.48Å; L112-F116 HydrophobicContact CG-CB 4.47Å; L112-F116 WeakPolarHBondContact O-CB 3.35Å; L112-F116 PolarHBondContact O-N 3.22Å; L112-L128 HydrophobicContact CD2-CD2 3.96Å; L112-L131 HydrophobicContact CB-CD2 4.38Å; L112-L131 HydrophobicContact CD2-CB 4.2Å; L112-L131 HydrophobicContact CD2-CD1 4.43Å; L112-L131 HydrophobicContact CD2-CD2 3.74Å; L112-L131 HydrophobicContact CD2-CG 4.35Å; L112-F140 HydrophobicContact CD1-CD1 4.31Å; L112-F140 HydrophobicContact CD1-CD2 3.93Å; L112-F140 HydrophobicContact CD1-CE1 4.13Å; L112-F140 HydrophobicContact CD1-CE2 3.7Å; L112-F140 HydrophobicContact CD1-CG 4.21Å; L112-F140 HydrophobicContact CD1-CZ 3.82Å; L112-I151 HydrophobicContact CB-CD1 4Å; L112-I151 HydrophobicContact CD1-CD1 4.27Å
113	E	94.8	Very high	94.5	Very high	37 Å²	37	35.2 Å²	35.2	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-32.5	179.9	-59	-154.2	78.2	0	0	113.3	Y87 V109 V110 T111 F115 F118 R124 L128	Y87-E113 WeakPolarHBondContact CE1-OE2 3.19Å; Y87-E113 PolarHBondContact OH-OE2 3.39Å; V109-E113 PolarHBondContact O-N 2.84Å; V110-E113 PolarHBondContact O-N 3.5Å; V110-E113 VanDerWaalsContact O-N 3.14Å; T111-E113 VanDerWaalsContact C-N 3.32Å; T111-E113 PolarHBondContact O-N 2.99Å; E113-F115 VanDerWaalsContact C-N 3.32Å; E113-F115 PolarHBondContact O-N 2.71Å; E113-F118 HydrophobicContact CB-CE2 4.41Å; E113-F118 HydrophobicContact CG-CE2 4.05Å; E113-R124 VanDerWaalsContact CD-NH2 3.3Å; E113-R124 IonicContact OE1-CZ 3.14Å; E113-R124 VanDerWaalsContact OE1-CZ 3.29Å; E113-R124 IonicContact OE1-NE 2.95Å; E113-R124 PolarHBondContact OE1-NE 3.39Å; E113-R124 IonicContact OE1-NH2 2.69Å; E113-R124 PolarHBondContact OE1-NH2 3.47Å; E113-R124 IonicContact OE2-CZ 2.82Å; E113-R124 IonicContact OE2-NE 3.21Å; E113-R124 IonicContact OE2-NH2 2.63Å; E113-R124 PolarHBondContact OE2-NH2 2.98Å; E113-L128 HydrophobicContact CG-CD2 4.22Å
114	M	95.7	Very high	94.2	Very high	40 Å²	40	36.8 Å²	36.8	20%	0.197	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-36.9	176.8	-70.9	170	60	0	0	112.4	C10 I13 L14 L17 V110 T111 L112	C10-M114 HydrophobicContact CB-CE 4.09Å; C10-M114 WeakPolarHBondContact O-CE 3.49Å; C10-M114 PolarHBondContact SG-O 2.89Å; C10-M114 VanDerWaalsContact SG-O 3.34Å; I13-M114 HydrophobicContact CB-CE 3.73Å; I13-M114 HydrophobicContact CG2-CE 3.58Å; I13-M114 HydrophobicContact CG2-SD 4.28Å; L14-M114 HydrophobicContact CB-CE 4.13Å; L17-M114 HydrophobicContact CD1-SD 4.26Å; V110-M114 HydrophobicContact CG1-CG 4.36Å; V110-M114 HydrophobicContact CG1-SD 3.99Å; V110-M114 WeakPolarHBondContact O-CG 3.48Å; V110-M114 PolarHBondContact O-N 2.83Å; T111-M114 WeakPolarHBondContact O-CB 3.3Å; T111-M114 PolarHBondContact O-N 3.33Å; L112-M114 VanDerWaalsContact C-N 3.29Å; L112-M114 PolarHBondContact O-N 2.74Å
115	F	95.7	Very high	93.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-99.5	-4.8	-177.4	-73.8	-96.2	0	0	0	113.4	F2 V5 P7 C10 E11 T111 L112 E113 F140 W144 V147	F2-F115 WeakPolarHBondContact CD1-O 3.09Å; V5-F115 HydrophobicContact CG1-CD1 4.22Å; P7-F115 HydrophobicContact CB-CE1 4.43Å; C10-F115 HydrophobicContact CB-CD1 4.49Å; C10-F115 HydrophobicContact CB-CD2 4.2Å; C10-F115 HydrophobicContact CB-CE1 3.96Å; C10-F115 HydrophobicContact CB-CE2 3.65Å; C10-F115 HydrophobicContact CB-CZ 3.51Å; E11-F115 HydrophobicContact CG-CZ 4.04Å; T111-F115 HydrophobicContact CG2-CD2 4.27Å; T111-F115 HydrophobicContact CG2-CE2 4.36Å; T111-F115 WeakPolarHBondContact O-CD2 3.36Å; T111-F115 PolarHBondContact O-N 3.46Å; L112-F115 PolarHBondContact O-N 3.22Å; E113-F115 VanDerWaalsContact C-N 3.32Å; E113-F115 PolarHBondContact O-N 2.71Å; F115-F140 HydrophobicContact CB-CE2 3.6Å; F115-F140 HydrophobicContact CB-CZ 3.86Å; F115-W144 AromaticContact CD1-CD2 3.96Å; F115-W144 HydrophobicContact CD1-CD2 3.96Å; F115-W144 HydrophobicContact CD1-CE3 4.2Å; F115-W144 HydrophobicContact CD1-CG 4.3Å; F115-W144 HydrophobicContact CD1-CZ2 4.45Å; F115-W144 HydrophobicContact CE1-CE3 4.46Å; F115-W144 PolarHBondContact O-NE1 2.89Å; F115-V147 HydrophobicContact CD1-CG1 4.43Å; F115-V147 HydrophobicContact CD1-CG2 4.24Å; F115-V147 HydrophobicContact CD2-CG1 3.83Å; F115-V147 HydrophobicContact CE1-CG2 3.93Å; F115-V147 HydrophobicContact CE2-CG1 3.99Å; F115-V147 HydrophobicContact CG-CG1 4.05Å; F115-V147 HydrophobicContact CZ-CG1 4.36Å; F115-V147 HydrophobicContact CZ-CG2 4.07Å
116	F	93.8	Very high	93.5	Very high	1 Å²	1	41 Å²	41	0%	0.004	19%	0.193	C	C	.	.			trans	-122.5	101.7	-177.9	-161	-62.8	0	0	0	111.4	M1 F2 L112 F118 L137 Y139 F140	M1-F116 HydrophobicContact SD-CE1 4.2Å; M1-F116 HydrophobicContact SD-CZ 3.75Å; F2-F116 AromaticContact CE1-CD2 3.98Å; F2-F116 HydrophobicContact CE1-CD2 3.98Å; F2-F116 HydrophobicContact CE1-CE2 4.09Å; F2-F116 HydrophobicContact CE1-CG 4.46Å; F2-F116 HydrophobicContact CZ-CD2 4.41Å; F2-F116 HydrophobicContact CZ-CE2 4.17Å; L112-F116 HydrophobicContact CD1-CB 4.21Å; L112-F116 HydrophobicContact CD1-CD2 4.48Å; L112-F116 HydrophobicContact CG-CB 4.47Å; L112-F116 WeakPolarHBondContact O-CB 3.35Å; L112-F116 PolarHBondContact O-N 3.22Å; F116-F118 HydrophobicContact CB-CE1 4.49Å; F116-F118 HydrophobicContact CB-CZ 4.11Å; F116-F118 AromaticContact CD1-CD1 3.44Å; F116-F118 HydrophobicContact CD1-CD1 3.44Å; F116-F118 VanDerWaalsContact CD1-CD1 3.44Å; F116-F118 HydrophobicContact CD1-CD2 4.43Å; F116-F118 AromaticContact CD1-CE1 3.18Å; F116-F118 HydrophobicContact CD1-CE1 3.18Å; F116-F118 HydrophobicContact CD1-CE2 4.24Å; F116-F118 HydrophobicContact CD1-CG 4.07Å; F116-F118 AromaticContact CD1-CZ 3.64Å; F116-F118 HydrophobicContact CD1-CZ 3.64Å; F116-F118 AromaticContact CE1-CD1 3.63Å; F116-F118 HydrophobicContact CE1-CD1 3.63Å; F116-F118 AromaticContact CE1-CE1 3.62Å; F116-F118 HydrophobicContact CE1-CE1 3.62Å; F116-F118 HydrophobicContact CE1-CG 4.49Å; F116-F118 HydrophobicContact CE1-CZ 4.49Å; F116-F118 AromaticContact CG-CE1 3.87Å; F116-F118 HydrophobicContact CG-CE1 3.87Å; F116-F118 AromaticContact CG-CZ 3.98Å; F116-F118 HydrophobicContact CG-CZ 3.98Å; F116-F118 PolarHBondContact O-N 3.38Å; F116-L137 HydrophobicContact CE2-CD1 4Å; F116-L137 HydrophobicContact CZ-CD1 4.46Å; F116-Y139 HydrophobicContact CD2-CE2 4.38Å; F116-Y139 HydrophobicContact CE2-CD2 4.18Å; F116-Y139 AromaticContact CE2-CE2 3.12Å; F116-Y139 HydrophobicContact CE2-CE2 3.12Å; F116-Y139 AromaticContact CE2-CZ 3.42Å; F116-Y139 VanDerWaalsContact CE2-CZ 3.42Å; F116-Y139 WeakPolarHBondContact CE2-OH 3.27Å; F116-Y139 AromaticContact CZ-CE2 3.28Å; F116-Y139 HydrophobicContact CZ-CE2 3.28Å; F116-Y139 AromaticContact CZ-CZ 3.47Å; F116-Y139 VanDerWaalsContact CZ-CZ 3.47Å; F116-Y139 WeakPolarHBondContact CZ-OH 3.49Å; F116-F140 HydrophobicContact CB-CD2 4.28Å; F116-F140 HydrophobicContact CB-CE2 4.23Å; F116-F140 HydrophobicContact CD2-CB 4.38Å; F116-F140 AromaticContact CD2-CD2 3.67Å; F116-F140 HydrophobicContact CD2-CD2 3.67Å; F116-F140 HydrophobicContact CD2-CE2 4.44Å; F116-F140 HydrophobicContact CD2-CG 4.4Å; F116-F140 HydrophobicContact CG-CD2 4.47Å
117	P	91.2	Very high	93.3	Very high	40 Å²	40	41.2 Å²	41.2	26%	0.26	20%	0.195	S	C	.	.			trans	-77.5	115.1	174	30.1	-31.2	0	0	0	110.9	M1 V5	M1-P117 VanDerWaalsContact O-CG 3.29Å; M1-P117 WeakPolarHBondContact O-CG 3.46Å; V5-P117 HydrophobicContact CG2-CG 4.15Å
118	F	90.4	Very high	93	Very high	45 Å²	45	41.2 Å²	41.2	20%	0.197	20%	0.195	C	C	.	.			trans	-85.7	136.3	174	-57	-70.4	0	0	0	111.5	E113 F116 E123 R124 C127	E113-F118 HydrophobicContact CB-CE2 4.41Å; E113-F118 HydrophobicContact CG-CE2 4.05Å; F116-F118 HydrophobicContact CB-CE1 4.49Å; F116-F118 HydrophobicContact CB-CZ 4.11Å; F116-F118 AromaticContact CD1-CD1 3.44Å; F116-F118 HydrophobicContact CD1-CD1 3.44Å; F116-F118 VanDerWaalsContact CD1-CD1 3.44Å; F116-F118 HydrophobicContact CD1-CD2 4.43Å; F116-F118 AromaticContact CD1-CE1 3.18Å; F116-F118 HydrophobicContact CD1-CE1 3.18Å; F116-F118 HydrophobicContact CD1-CE2 4.24Å; F116-F118 HydrophobicContact CD1-CG 4.07Å; F116-F118 AromaticContact CD1-CZ 3.64Å; F116-F118 HydrophobicContact CD1-CZ 3.64Å; F116-F118 AromaticContact CE1-CD1 3.63Å; F116-F118 HydrophobicContact CE1-CD1 3.63Å; F116-F118 AromaticContact CE1-CE1 3.62Å; F116-F118 HydrophobicContact CE1-CE1 3.62Å; F116-F118 HydrophobicContact CE1-CG 4.49Å; F116-F118 HydrophobicContact CE1-CZ 4.49Å; F116-F118 AromaticContact CG-CE1 3.87Å; F116-F118 HydrophobicContact CG-CE1 3.87Å; F116-F118 AromaticContact CG-CZ 3.98Å; F116-F118 HydrophobicContact CG-CZ 3.98Å; F116-F118 PolarHBondContact O-N 3.38Å; F118-E123 HydrophobicContact CD1-CG 4.08Å; F118-R124 HydrophobicContact CB-CB 3.91Å; F118-R124 HydrophobicContact CD1-CB 3.94Å; F118-R124 HydrophobicContact CD2-CB 3.71Å; F118-R124 HydrophobicContact CD2-CG 3.62Å; F118-R124 HydrophobicContact CE1-CB 4.42Å; F118-R124 HydrophobicContact CE2-CB 4.21Å; F118-R124 HydrophobicContact CE2-CG 3.82Å; F118-R124 HydrophobicContact CG-CB 3.55Å; F118-R124 HydrophobicContact CG-CG 4.03Å; F118-R124 HydrophobicContact CZ-CG 4.38Å; F118-C127 HydrophobicContact CD1-CB 4.42Å; F118-C127 HydrophobicContact CE1-CB 3.43Å; F118-C127 VanDerWaalsContact CE1-CB 3.43Å; F118-C127 HydrophobicContact CZ-CB 3.97Å
119	R	89.2	Confident	92.7	Very high	191 Å²	191	43.6 Å²	43.6	72%	0.721	21%	0.207	S	C	*	.	S	Bend	trans	-84.2	-28.9	176.2	-61.1	178.6	176.5	-178.4	-2.2	112.1	E123	R119-E123 WeakPolarHBondContact CB-OE2 3.28Å; R119-E123 PolarHBondContact N-OE2 2.93Å
120	T	90.8	Very high	92.5	Very high	78 Å²	78	45.5 Å²	45.5	48%	0.479	22%	0.218	S	C	.	.	S	Bend	trans	-136	154.3	-178.5	70.7	0	0	0	0	111.2	M122 E123 R124	T120-M122 VanDerWaalsContact C-N 3.26Å; T120-M122 PolarHBondContact O-N 2.86Å; T120-E123 PolarHBondContact N-OE2 3.2Å; T120-E123 PolarHBondContact O-N 3.11Å; T120-E123 VanDerWaalsContact OG1-CB 3.28Å; T120-E123 WeakPolarHBondContact OG1-CB 3.22Å; T120-E123 PolarHBondContact OG1-N 3.24Å; T120-E123 VanDerWaalsContact OG1-N 3.1Å; T120-R124 PolarHBondContact O-N 3.24Å
121	Y	89.2	Confident	92.2	Very high	126 Å²	126	45.4 Å²	45.4	49%	0.494	22%	0.217	S	C	.	.	H	α-helix	trans	-59.6	-37.9	173	-177.2	-100.3	0	0	0	111.9	R124 I125	Y121-R124 WeakPolarHBondContact O-CB 3.33Å; Y121-R124 PolarHBondContact O-N 3.39Å; Y121-I125 HydrophobicContact CD1-CG1 3.95Å; Y121-I125 HydrophobicContact CE1-CD1 3.91Å; Y121-I125 HydrophobicContact CE1-CG1 3.58Å; Y121-I125 HydrophobicContact CE2-CD1 4.29Å; Y121-I125 WeakPolarHBondContact O-CG1 3.32Å; Y121-I125 PolarHBondContact O-N 3.06Å
122	M	90.1	Very high	91.9	Very high	121 Å²	121	47.3 Å²	47.3	60%	0.596	22%	0.224	S	C	*	.	H	α-helix	trans	-66.4	-42.2	-180	-168.5	66	-154.9	0	0	112.1	T120 R124 I125 V126	T120-M122 VanDerWaalsContact C-N 3.26Å; T120-M122 PolarHBondContact O-N 2.86Å; M122-R124 VanDerWaalsContact C-N 3.28Å; M122-R124 PolarHBondContact O-N 2.71Å; M122-I125 PolarHBondContact O-N 2.92Å; M122-V126 HydrophobicContact CE-CG2 3.81Å; M122-V126 WeakPolarHBondContact O-CG2 3.43Å; M122-V126 PolarHBondContact O-N 3.22Å
123	E	90.6	Very high	91.4	Very high	46 Å²	46	54.5 Å²	54.5	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-45.4	175	-176.6	-173.8	-173.4	0	0	111.1	F118 R119 T120 V126 C127	F118-E123 HydrophobicContact CD1-CG 4.08Å; R119-E123 WeakPolarHBondContact CB-OE2 3.28Å; R119-E123 PolarHBondContact N-OE2 2.93Å; T120-E123 PolarHBondContact N-OE2 3.2Å; T120-E123 PolarHBondContact O-N 3.11Å; T120-E123 VanDerWaalsContact OG1-CB 3.28Å; T120-E123 WeakPolarHBondContact OG1-CB 3.22Å; T120-E123 PolarHBondContact OG1-N 3.24Å; T120-E123 VanDerWaalsContact OG1-N 3.1Å; E123-V126 PolarHBondContact O-N 3.26Å; E123-C127 WeakPolarHBondContact O-CB 3.44Å; E123-C127 PolarHBondContact O-N 3.48Å
124	R	91.9	Very high	90.8	Very high	34 Å²	34	55.6 Å²	55.6	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-56.4	-51	173.6	-179.4	-178.8	176.7	-78.8	-20.4	112	Y87 E113 F118 T120 Y121 M122 V126 C127 L128	Y87-R124 PolarHBondContact OH-NH2 2.99Å; E113-R124 VanDerWaalsContact CD-NH2 3.3Å; E113-R124 IonicContact OE1-CZ 3.14Å; E113-R124 VanDerWaalsContact OE1-CZ 3.29Å; E113-R124 IonicContact OE1-NE 2.95Å; E113-R124 PolarHBondContact OE1-NE 3.39Å; E113-R124 IonicContact OE1-NH2 2.69Å; E113-R124 PolarHBondContact OE1-NH2 3.47Å; E113-R124 IonicContact OE2-CZ 2.82Å; E113-R124 IonicContact OE2-NE 3.21Å; E113-R124 IonicContact OE2-NH2 2.63Å; E113-R124 PolarHBondContact OE2-NH2 2.98Å; F118-R124 HydrophobicContact CB-CB 3.91Å; F118-R124 HydrophobicContact CD1-CB 3.94Å; F118-R124 HydrophobicContact CD2-CB 3.71Å; F118-R124 HydrophobicContact CD2-CG 3.62Å; F118-R124 HydrophobicContact CE1-CB 4.42Å; F118-R124 HydrophobicContact CE2-CB 4.21Å; F118-R124 HydrophobicContact CE2-CG 3.82Å; F118-R124 HydrophobicContact CG-CB 3.55Å; F118-R124 HydrophobicContact CG-CG 4.03Å; F118-R124 HydrophobicContact CZ-CG 4.38Å; T120-R124 PolarHBondContact O-N 3.24Å; Y121-R124 WeakPolarHBondContact O-CB 3.33Å; Y121-R124 PolarHBondContact O-N 3.39Å; M122-R124 VanDerWaalsContact C-N 3.28Å; M122-R124 PolarHBondContact O-N 2.71Å; R124-V126 VanDerWaalsContact C-N 3.35Å; R124-V126 PolarHBondContact O-N 3.14Å; R124-C127 PolarHBondContact O-N 2.88Å; R124-L128 HydrophobicContact CG-CD1 4.21Å; R124-L128 HydrophobicContact CG-CG 4.46Å; R124-L128 WeakPolarHBondContact O-CG 3.39Å; R124-L128 PolarHBondContact O-N 2.9Å
125	I	91	Very high	90.2	Very high	19 Å²	19	60.4 Å²	60.4	10%	0.097	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-43.4	178.4	-65	-57.8	0	0	0	112	L86 Y121 M122 N129	L86-I125 HydrophobicContact CD1-CD1 3.29Å; L86-I125 HydrophobicContact CD2-CD1 4.4Å; L86-I125 HydrophobicContact CG-CD1 4.43Å; Y121-I125 HydrophobicContact CD1-CG1 3.95Å; Y121-I125 HydrophobicContact CE1-CD1 3.91Å; Y121-I125 HydrophobicContact CE1-CG1 3.58Å; Y121-I125 HydrophobicContact CE2-CD1 4.29Å; Y121-I125 WeakPolarHBondContact O-CG1 3.32Å; Y121-I125 PolarHBondContact O-N 3.06Å; M122-I125 PolarHBondContact O-N 2.92Å; I125-N129 VanDerWaalsContact CG2-ND2 3.32Å; I125-N129 WeakPolarHBondContact CG2-ND2 3.12Å; I125-N129 VanDerWaalsContact O-CB 3.31Å; I125-N129 WeakPolarHBondContact O-CB 3.42Å; I125-N129 PolarHBondContact O-N 3.33Å; I125-N129 PolarHBondContact O-ND2 3.22Å
126	V	90.5	Very high	89.1	Confident	69 Å²	69	61.5 Å²	61.5	42%	0.418	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-46.5	178.7	173.1	0	0	0	0	110.7	M122 E123 R124 N129 N130	M122-V126 HydrophobicContact CE-CG2 3.81Å; M122-V126 WeakPolarHBondContact O-CG2 3.43Å; M122-V126 PolarHBondContact O-N 3.22Å; E123-V126 PolarHBondContact O-N 3.26Å; R124-V126 VanDerWaalsContact C-N 3.35Å; R124-V126 PolarHBondContact O-N 3.14Å; V126-N129 PolarHBondContact O-N 3.47Å; V126-N130 PolarHBondContact O-N 3.35Å; V126-N130 PolarHBondContact O-ND2 3.23Å
127	C	92.3	Very high	88.4	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-50.6	179.2	-179.2	0	0	0	0	111.8	F118 E123 R124 N129 N130 L131 L137	F118-C127 HydrophobicContact CD1-CB 4.42Å; F118-C127 HydrophobicContact CE1-CB 3.43Å; F118-C127 VanDerWaalsContact CE1-CB 3.43Å; F118-C127 HydrophobicContact CZ-CB 3.97Å; E123-C127 WeakPolarHBondContact O-CB 3.44Å; E123-C127 PolarHBondContact O-N 3.48Å; R124-C127 PolarHBondContact O-N 2.88Å; C127-N129 VanDerWaalsContact C-N 3.35Å; C127-N129 PolarHBondContact O-N 3.35Å; C127-N130 WeakPolarHBondContact O-CB 3.44Å; C127-N130 PolarHBondContact O-N 3.5Å; C127-N130 VanDerWaalsContact O-N 3.08Å; C127-L131 PolarHBondContact O-N 2.82Å; C127-L137 HydrophobicContact CB-CD1 4.17Å; C127-L137 VanDerWaalsContact SG-CD1 3.57Å
128	L	92.6	Very high	88	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-38.8	179.6	-63.4	-171.2	0	0	0	111.8	L86 V109 L112 E113 R124 N130 L131 R132	L86-L128 HydrophobicContact CB-CD1 4.12Å; L86-L128 HydrophobicContact CD1-CD1 4.17Å; L86-L128 HydrophobicContact CD2-CB 4.44Å; V109-L128 HydrophobicContact CG1-CD1 4.21Å; V109-L128 HydrophobicContact CG1-CD2 3.93Å; L112-L128 HydrophobicContact CD2-CD2 3.96Å; E113-L128 HydrophobicContact CG-CD2 4.22Å; R124-L128 HydrophobicContact CG-CD1 4.21Å; R124-L128 HydrophobicContact CG-CG 4.46Å; R124-L128 WeakPolarHBondContact O-CG 3.39Å; R124-L128 PolarHBondContact O-N 2.9Å; L128-N130 VanDerWaalsContact C-N 3.29Å; L128-N130 PolarHBondContact O-N 2.99Å; L128-L131 WeakPolarHBondContact O-CB 3.35Å; L128-L131 PolarHBondContact O-N 3.43Å; L128-R132 WeakPolarHBondContact O-CG 3.34Å; L128-R132 PolarHBondContact O-N 3.46Å
129	N	90.7	Very high	87.8	Confident	49 Å²	49	69.2 Å²	69.2	26%	0.262	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-30.9	173.7	-80	-49.4	0	0	0	113.5	I125 V126 C127 K133	I125-N129 VanDerWaalsContact CG2-ND2 3.32Å; I125-N129 WeakPolarHBondContact CG2-ND2 3.12Å; I125-N129 VanDerWaalsContact O-CB 3.31Å; I125-N129 WeakPolarHBondContact O-CB 3.42Å; I125-N129 PolarHBondContact O-N 3.33Å; I125-N129 PolarHBondContact O-ND2 3.22Å; V126-N129 PolarHBondContact O-N 3.47Å; C127-N129 VanDerWaalsContact C-N 3.35Å; C127-N129 PolarHBondContact O-N 3.35Å; N129-K133 WeakPolarHBondContact O-CG 3.49Å; N129-K133 PolarHBondContact O-N 3.44Å
130	N	91.5	Very high	87.9	Confident	43 Å²	43	60.1 Å²	60.1	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-69.6	-41.5	173	-74.6	-20	0	0	0	111.3	V126 C127 L128 R132 K133 G134 K135	V126-N130 PolarHBondContact O-N 3.35Å; V126-N130 PolarHBondContact O-ND2 3.23Å; C127-N130 WeakPolarHBondContact O-CB 3.44Å; C127-N130 PolarHBondContact O-N 3.5Å; C127-N130 VanDerWaalsContact O-N 3.08Å; L128-N130 VanDerWaalsContact C-N 3.29Å; L128-N130 PolarHBondContact O-N 2.99Å; N130-R132 VanDerWaalsContact C-N 3.3Å; N130-R132 PolarHBondContact O-N 3.41Å; N130-K133 CarbonylContact O-C 3.54Å; N130-K133 WeakPolarHBondContact O-CA 3.41Å; N130-K133 WeakPolarHBondContact O-CB 3.5Å; N130-K133 PolarHBondContact O-N 3.34Å; N130-G134 PolarHBondContact O-N 3.14Å; N130-K135 CarbonylContact C-O 3.24Å; N130-K135 VanDerWaalsContact C-O 3.24Å; N130-K135 HydrophobicContact CB-CB 4.22Å; N130-K135 PolarHBondContact O-N 2.88Å
131	L	92.3	Very high	88	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-43.3	173.5	-176.9	69.1	0	0	0	111.4	V109 L112 C127 L128 K133 G134 K135 V136 I151 V155	V109-L131 HydrophobicContact CB-CD2 4.48Å; V109-L131 HydrophobicContact CG2-CD2 4.03Å; L112-L131 HydrophobicContact CB-CD2 4.38Å; L112-L131 HydrophobicContact CD2-CB 4.2Å; L112-L131 HydrophobicContact CD2-CD1 4.43Å; L112-L131 HydrophobicContact CD2-CD2 3.74Å; L112-L131 HydrophobicContact CD2-CG 4.35Å; C127-L131 PolarHBondContact O-N 2.82Å; L128-L131 WeakPolarHBondContact O-CB 3.35Å; L128-L131 PolarHBondContact O-N 3.43Å; L131-K133 PolarHBondContact O-N 2.86Å; L131-K133 VanDerWaalsContact O-N 3.14Å; L131-G134 PolarHBondContact O-N 3.28Å; L131-K135 PolarHBondContact N-O 3.3Å; L131-V136 HydrophobicContact CD1-CG2 4.02Å; L131-I151 HydrophobicContact CD1-CG2 3.67Å; L131-V155 HydrophobicContact CD1-CG1 4.33Å; L131-V155 HydrophobicContact CD1-CG2 3.71Å; L131-V155 HydrophobicContact CD2-CG1 4.07Å; L131-V155 HydrophobicContact CG-CG1 4.2Å; L131-V155 HydrophobicContact CG-CG2 4.24Å
132	R	89.9	Confident	88.1	Confident	40 Å²	40	61.7 Å²	61.7	15%	0.151	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-27.2	174.9	-63.5	-177.9	75.6	75.1	3.4	113.6	Y85 L86 A88 L93 Y105 L128 N130 G134 Q157	Y85-R132 PolarHBondContact O-NH1 2.67Å; L86-R132 PolarHBondContact O-NH1 2.97Å; A88-R132 PolarHBondContact O-NH1 2.88Å; A88-R132 PolarHBondContact O-NH2 3.39Å; A88-R132 VanDerWaalsContact O-NH2 3.17Å; L93-R132 VanDerWaalsContact CD1-NH2 3.27Å; Y105-R132 WeakPolarHBondContact OH-CA 3.31Å; Y105-R132 WeakPolarHBondContact OH-CG 3.48Å; L128-R132 WeakPolarHBondContact O-CG 3.34Å; L128-R132 PolarHBondContact O-N 3.46Å; N130-R132 VanDerWaalsContact C-N 3.3Å; N130-R132 PolarHBondContact O-N 3.41Å; R132-G134 VanDerWaalsContact C-N 3.35Å; R132-Q157 PolarHBondContact O-NE2 3.15Å
133	K	85.9	Confident	88.2	Confident	155 Å²	155	59.3 Å²	59.3	67%	0.674	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	8.8	176.7	-63.8	171.5	-176.2	175.6	0	112.9	N129 N130 L131	N129-K133 WeakPolarHBondContact O-CG 3.49Å; N129-K133 PolarHBondContact O-N 3.44Å; N130-K133 CarbonylContact O-C 3.54Å; N130-K133 WeakPolarHBondContact O-CA 3.41Å; N130-K133 WeakPolarHBondContact O-CB 3.5Å; N130-K133 PolarHBondContact O-N 3.34Å; L131-K133 PolarHBondContact O-N 2.86Å; L131-K133 VanDerWaalsContact O-N 3.14Å
134	G	82.4	Confident	88.4	Confident	61 Å²	61	57.2 Å²	57.2	63%	0.629	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	20.3	-179	0	0	0	0	0	114.4	N130 L131 R132	N130-G134 PolarHBondContact O-N 3.14Å; L131-G134 PolarHBondContact O-N 3.28Å; R132-G134 VanDerWaalsContact C-N 3.35Å
135	K	83.1	Confident	88.6	Confident	141 Å²	141	57.5 Å²	57.5	61%	0.613	29%	0.291	S	S	*	.			trans	-109.2	106	178.5	-63.2	-172.6	178.7	-170.5	0	110.2	N130 L131	N130-K135 CarbonylContact C-O 3.24Å; N130-K135 VanDerWaalsContact C-O 3.24Å; N130-K135 HydrophobicContact CB-CB 4.22Å; N130-K135 PolarHBondContact O-N 2.88Å; L131-K135 PolarHBondContact N-O 3.3Å
136	V	72.7	Confident	88.8	Confident	23 Å²	23	57.1 Å²	57.1	14%	0.139	29%	0.29	C	S	.	.			trans	-83.5	149.5	164.2	-176.1	0	0	0	0	107.8	L131 F140 E141 A148	L131-V136 HydrophobicContact CD1-CG2 4.02Å; V136-F140 HydrophobicContact CG1-CB 4.36Å; V136-F140 HydrophobicContact CG1-CD1 3.64Å; V136-F140 HydrophobicContact CG1-CE1 4.4Å; V136-F140 HydrophobicContact CG1-CG 4.34Å; V136-E141 HydrophobicContact CB-CG 4.19Å; V136-E141 WeakPolarHBondContact CB-OE1 3.45Å; V136-E141 HydrophobicContact CG1-CG 3.75Å; V136-A148 HydrophobicContact CG1-CB 4.42Å
137	L	78.4	Confident	89	Confident	40 Å²	40	53.8 Å²	53.8	21%	0.209	27%	0.27	C	S	.	.			trans	-80	131.3	-175	-63.7	171.6	0	0	0	110.2	F116 C127 Y139 F140 E141	F116-L137 HydrophobicContact CE2-CD1 4Å; F116-L137 HydrophobicContact CZ-CD1 4.46Å; C127-L137 HydrophobicContact CB-CD1 4.17Å; C127-L137 VanDerWaalsContact SG-CD1 3.57Å; L137-Y139 VanDerWaalsContact C-N 3.27Å; L137-Y139 HydrophobicContact CB-CD1 4.01Å; L137-Y139 HydrophobicContact CB-CE1 3.56Å; L137-Y139 HydrophobicContact CD1-CE1 3.92Å; L137-Y139 WeakPolarHBondContact CD1-OH 3.23Å; L137-Y139 HydrophobicContact CD2-CE1 4.43Å; L137-Y139 HydrophobicContact CG-CE1 4.16Å; L137-Y139 PolarHBondContact O-N 2.99Å; L137-Y139 VanDerWaalsContact O-N 3.12Å; L137-F140 HydrophobicContact CB-CB 4.39Å; L137-F140 WeakPolarHBondContact O-CA 3.43Å; L137-F140 VanDerWaalsContact O-CB 3.27Å; L137-F140 WeakPolarHBondContact O-CB 2.99Å; L137-F140 PolarHBondContact O-N 3.25Å; L137-E141 PolarHBondContact O-N 3.14Å
138	D	82.1	Confident	89.2	Confident	124 Å²	124	53.8 Å²	53.8	66%	0.663	27%	0.271	S	S	*	.	H	α-helix	trans	-48.5	-45.6	-174.3	-56.5	-15.2	0	0	0	113.2	F140 E141 E142	D138-F140 VanDerWaalsContact C-N 3.29Å; D138-F140 PolarHBondContact O-N 2.98Å; D138-E141 PolarHBondContact O-N 2.63Å; D138-E142 WeakPolarHBondContact O-CG 3.46Å; D138-E142 PolarHBondContact O-N 2.86Å
139	Y	86.9	Confident	89.2	Confident	84 Å²	84	59.4 Å²	59.4	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-71.4	-19.9	-179.7	64.2	-87.9	0	0	0	114.1	M1 F2 F116 L137 R143	M1-Y139 HydrophobicContact SD-CD2 4.49Å; M1-Y139 HydrophobicContact SD-CE2 3.76Å; F2-Y139 AromaticContact CE2-CD2 3.81Å; F2-Y139 HydrophobicContact CE2-CD2 3.81Å; F2-Y139 HydrophobicContact CE2-CE2 4.45Å; F2-Y139 WeakPolarHBondContact CE2-O 3.15Å; F2-Y139 AromaticContact CZ-CD2 3.55Å; F2-Y139 HydrophobicContact CZ-CD2 3.55Å; F2-Y139 AromaticContact CZ-CE2 3.86Å; F2-Y139 HydrophobicContact CZ-CE2 3.86Å; F116-Y139 HydrophobicContact CD2-CE2 4.38Å; F116-Y139 HydrophobicContact CE2-CD2 4.18Å; F116-Y139 AromaticContact CE2-CE2 3.12Å; F116-Y139 HydrophobicContact CE2-CE2 3.12Å; F116-Y139 AromaticContact CE2-CZ 3.42Å; F116-Y139 VanDerWaalsContact CE2-CZ 3.42Å; F116-Y139 WeakPolarHBondContact CE2-OH 3.27Å; F116-Y139 AromaticContact CZ-CE2 3.28Å; F116-Y139 HydrophobicContact CZ-CE2 3.28Å; F116-Y139 AromaticContact CZ-CZ 3.47Å; F116-Y139 VanDerWaalsContact CZ-CZ 3.47Å; F116-Y139 WeakPolarHBondContact CZ-OH 3.49Å; L137-Y139 VanDerWaalsContact C-N 3.27Å; L137-Y139 HydrophobicContact CB-CD1 4.01Å; L137-Y139 HydrophobicContact CB-CE1 3.56Å; L137-Y139 HydrophobicContact CD1-CE1 3.92Å; L137-Y139 WeakPolarHBondContact CD1-OH 3.23Å; L137-Y139 HydrophobicContact CD2-CE1 4.43Å; L137-Y139 HydrophobicContact CG-CE1 4.16Å; L137-Y139 PolarHBondContact O-N 2.99Å; L137-Y139 VanDerWaalsContact O-N 3.12Å; Y139-R143 PolarHBondContact O-N 3.45Å
140	F	92.2	Very high	89.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-74	-44.7	170	-178.8	-88.7	0	0	0	110.2	F2 L112 F115 F116 V136 L137 D138 E142 R143 W144 V147 A148 I151	F2-F140 HydrophobicContact CE1-CD2 4.07Å; F2-F140 HydrophobicContact CZ-CB 4.41Å; F2-F140 HydrophobicContact CZ-CD2 4.32Å; L112-F140 HydrophobicContact CD1-CD1 4.31Å; L112-F140 HydrophobicContact CD1-CD2 3.93Å; L112-F140 HydrophobicContact CD1-CE1 4.13Å; L112-F140 HydrophobicContact CD1-CE2 3.7Å; L112-F140 HydrophobicContact CD1-CG 4.21Å; L112-F140 HydrophobicContact CD1-CZ 3.82Å; F115-F140 HydrophobicContact CB-CE2 3.6Å; F115-F140 HydrophobicContact CB-CZ 3.86Å; F116-F140 HydrophobicContact CB-CD2 4.28Å; F116-F140 HydrophobicContact CB-CE2 4.23Å; F116-F140 HydrophobicContact CD2-CB 4.38Å; F116-F140 AromaticContact CD2-CD2 3.67Å; F116-F140 HydrophobicContact CD2-CD2 3.67Å; F116-F140 HydrophobicContact CD2-CE2 4.44Å; F116-F140 HydrophobicContact CD2-CG 4.4Å; F116-F140 HydrophobicContact CG-CD2 4.47Å; V136-F140 HydrophobicContact CG1-CB 4.36Å; V136-F140 HydrophobicContact CG1-CD1 3.64Å; V136-F140 HydrophobicContact CG1-CE1 4.4Å; V136-F140 HydrophobicContact CG1-CG 4.34Å; L137-F140 HydrophobicContact CB-CB 4.39Å; L137-F140 WeakPolarHBondContact O-CA 3.43Å; L137-F140 VanDerWaalsContact O-CB 3.27Å; L137-F140 WeakPolarHBondContact O-CB 2.99Å; L137-F140 PolarHBondContact O-N 3.25Å; D138-F140 VanDerWaalsContact C-N 3.29Å; D138-F140 PolarHBondContact O-N 2.98Å; F140-E142 VanDerWaalsContact C-N 3.34Å; F140-E142 PolarHBondContact O-N 3.28Å; F140-R143 PolarHBondContact O-N 3Å; F140-W144 AromaticContact CD2-CD1 3.73Å; F140-W144 HydrophobicContact CE1-CB 4.27Å; F140-W144 AromaticContact CE2-CD1 3.59Å; F140-W144 HydrophobicContact CE2-CG 4.41Å; F140-W144 HydrophobicContact CZ-CB 4.25Å; F140-W144 HydrophobicContact CZ-CG 4.48Å; F140-W144 PolarHBondContact O-N 3.15Å; F140-V147 HydrophobicContact CZ-CG1 4.22Å; F140-A148 HydrophobicContact CD1-CB 3.95Å; F140-A148 HydrophobicContact CE1-CB 3.89Å; F140-I151 HydrophobicContact CE1-CD1 3.68Å; F140-I151 HydrophobicContact CZ-CD1 3.63Å
141	E	92.3	Very high	89.7	Confident	91 Å²	91	55.2 Å²	55.2	43%	0.425	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-39.6	177.5	-58.1	-168.7	170.1	0	0	111.9	V136 L137 D138 R143 P145 A148	V136-E141 HydrophobicContact CB-CG 4.19Å; V136-E141 WeakPolarHBondContact CB-OE1 3.45Å; V136-E141 HydrophobicContact CG1-CG 3.75Å; L137-E141 PolarHBondContact O-N 3.14Å; D138-E141 PolarHBondContact O-N 2.63Å; E141-R143 VanDerWaalsContact C-N 3.29Å; E141-R143 PolarHBondContact O-N 3.45Å; E141-P145 WeakPolarHBondContact O-CA 3.32Å; E141-P145 WeakPolarHBondContact O-CB 3.3Å; E141-P145 WeakPolarHBondContact O-CD 3.42Å; E141-P145 VanDerWaalsContact O-N 3.13Å; E141-A148 HydrophobicContact CB-CB 4.32Å; E141-A148 HydrophobicContact CG-CB 3.93Å
142	E	91.6	Very high	89.8	Confident	146 Å²	146	57 Å²	57	68%	0.682	29%	0.292	S	S	*	.	H	α-helix	trans	-61	-37.8	175.3	-74.2	176.2	-172.8	0	0	112.6	D138 F140	D138-E142 WeakPolarHBondContact O-CG 3.46Å; D138-E142 PolarHBondContact O-N 2.86Å; F140-E142 VanDerWaalsContact C-N 3.34Å; F140-E142 PolarHBondContact O-N 3.28Å
143	R	92.4	Very high	90.1	Very high	71 Å²	71	57.3 Å²	57.3	27%	0.268	30%	0.296	S	S	.	.	H	α-helix	trans	-83.5	-41.5	-177.3	-178.6	63.6	-176.5	138.6	11.5	112.4	F2 Y139 F140 E141 P145 Q179 E183	F2-R143 HydrophobicContact CB-CG 4.27Å; F2-R143 HydrophobicContact CD2-CB 3.84Å; F2-R143 HydrophobicContact CD2-CG 3.59Å; F2-R143 HydrophobicContact CE2-CB 3.74Å; F2-R143 HydrophobicContact CE2-CG 4.02Å; F2-R143 HydrophobicContact CG-CG 3.95Å; F2-R143 HydrophobicContact CZ-CB 4.42Å; Y139-R143 PolarHBondContact O-N 3.45Å; F140-R143 PolarHBondContact O-N 3Å; E141-R143 VanDerWaalsContact C-N 3.29Å; E141-R143 PolarHBondContact O-N 3.45Å; R143-P145 VanDerWaalsContact C-CD 3.44Å; R143-Q179 PolarHBondContact O-NE2 3.28Å; R143-E183 IonicContact CZ-OE1 3.59Å; R143-E183 IonicContact NH1-OE1 3.92Å; R143-E183 IonicContact NH2-OE1 2.76Å; R143-E183 PolarHBondContact NH2-OE1 3.48Å
144	W	94.5	Very high	90.6	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	26%	0.264	C	S	.	.			trans	-128.7	57.7	-170.8	-49.6	117.7	0	0	0	111.7	F2 V5 P7 F115 F140 C146 V147 A148 Q179 E183	F2-W144 HydrophobicContact CB-CZ2 4.19Å; F2-W144 AromaticContact CD1-NE1 3.49Å; F2-W144 AromaticContact CE1-NE1 3.84Å; F2-W144 AromaticContact CG-NE1 3.84Å; V5-W144 HydrophobicContact CB-CZ2 4.22Å; V5-W144 HydrophobicContact CG1-CH2 4.47Å; V5-W144 HydrophobicContact CG1-CZ2 4.04Å; P7-W144 HydrophobicContact CB-CH2 3.8Å; P7-W144 HydrophobicContact CB-CZ3 3.81Å; P7-W144 HydrophobicContact CG-CH2 4.07Å; P7-W144 HydrophobicContact CG-CZ3 4.36Å; F115-W144 AromaticContact CD1-CD2 3.96Å; F115-W144 HydrophobicContact CD1-CD2 3.96Å; F115-W144 HydrophobicContact CD1-CE3 4.2Å; F115-W144 HydrophobicContact CD1-CG 4.3Å; F115-W144 HydrophobicContact CD1-CZ2 4.45Å; F115-W144 HydrophobicContact CE1-CE3 4.46Å; F115-W144 PolarHBondContact O-NE1 2.89Å; F140-W144 AromaticContact CD2-CD1 3.73Å; F140-W144 HydrophobicContact CE1-CB 4.27Å; F140-W144 AromaticContact CE2-CD1 3.59Å; F140-W144 HydrophobicContact CE2-CG 4.41Å; F140-W144 HydrophobicContact CZ-CB 4.25Å; F140-W144 HydrophobicContact CZ-CG 4.48Å; F140-W144 PolarHBondContact O-N 3.15Å; W144-C146 PolarHBondContact O-N 3.43Å; W144-V147 HydrophobicContact CB-CB 3.91Å; W144-V147 HydrophobicContact CB-CG2 4.09Å; W144-V147 PolarHBondContact O-N 3.39Å; W144-A148 WeakPolarHBondContact O-CB 2.91Å; W144-A148 PolarHBondContact O-N 2.81Å; W144-Q179 HydrophobicContact CE3-CG 4.26Å; W144-E183 WeakPolarHBondContact CH2-OE1 3.46Å; W144-E183 VanDerWaalsContact CZ3-CD 3.49Å; W144-E183 HydrophobicContact CZ3-CG 4.11Å; W144-E183 WeakPolarHBondContact CZ3-OE1 3.32Å
145	P	94.5	Very high	91.2	Very high	40 Å²	40	47.5 Å²	47.5	26%	0.26	24%	0.237	S	C	.	.	H	α-helix	trans	-58.7	-42.3	-170.5	22.5	-34.7	0	0	0	113.3	E141 R143 A148 L149 I182	E141-P145 WeakPolarHBondContact O-CA 3.32Å; E141-P145 WeakPolarHBondContact O-CB 3.3Å; E141-P145 WeakPolarHBondContact O-CD 3.42Å; E141-P145 VanDerWaalsContact O-N 3.13Å; R143-P145 VanDerWaalsContact C-CD 3.44Å; P145-A148 PolarHBondContact O-N 3.36Å; P145-L149 WeakPolarHBondContact O-CG 3.5Å; P145-L149 PolarHBondContact O-N 3.39Å; P145-I182 HydrophobicContact CG-CD1 3.74Å; P145-I182 HydrophobicContact CG-CG2 4.34Å
146	C	95.9	Very high	91.8	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-73.5	-35.9	-179.1	-59.1	0	0	0	0	111.6	W144 A148 L149 L150 A175 Q179	W144-C146 PolarHBondContact O-N 3.43Å; C146-A148 VanDerWaalsContact C-N 3.34Å; C146-L149 PolarHBondContact O-N 3.27Å; C146-L150 PolarHBondContact O-N 3.03Å; C146-A175 WeakPolarHBondContact CB-O 3.12Å; C146-Q179 HydrophobicContact CB-CB 3.99Å
147	V	95.8	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-39.2	173.6	-173.1	0	0	0	0	110.7	T111 F115 F140 W144 L150 I151 L176 Q179	T111-V147 HydrophobicContact CG2-CG1 3.87Å; F115-V147 HydrophobicContact CD1-CG1 4.43Å; F115-V147 HydrophobicContact CD1-CG2 4.24Å; F115-V147 HydrophobicContact CD2-CG1 3.83Å; F115-V147 HydrophobicContact CE1-CG2 3.93Å; F115-V147 HydrophobicContact CE2-CG1 3.99Å; F115-V147 HydrophobicContact CG-CG1 4.05Å; F115-V147 HydrophobicContact CZ-CG1 4.36Å; F115-V147 HydrophobicContact CZ-CG2 4.07Å; F140-V147 HydrophobicContact CZ-CG1 4.22Å; W144-V147 HydrophobicContact CB-CB 3.91Å; W144-V147 HydrophobicContact CB-CG2 4.09Å; W144-V147 PolarHBondContact O-N 3.39Å; V147-L150 PolarHBondContact O-N 3.4Å; V147-I151 HydrophobicContact CG1-CD1 3.98Å; V147-I151 HydrophobicContact CG1-CG1 4.47Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.34Å; V147-I151 PolarHBondContact O-N 2.95Å; V147-L176 HydrophobicContact CG2-CD2 4.16Å; V147-Q179 HydrophobicContact CG2-CG 3.95Å
148	A	94.9	Very high	93.4	Very high	6 Å²	6	49.3 Å²	49.3	5%	0.05	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-43.1	176.2	0	0	0	0	0	111.9	V136 F140 E141 W144 P145 C146 I151 A152	V136-A148 HydrophobicContact CG1-CB 4.42Å; F140-A148 HydrophobicContact CD1-CB 3.95Å; F140-A148 HydrophobicContact CE1-CB 3.89Å; E141-A148 HydrophobicContact CB-CB 4.32Å; E141-A148 HydrophobicContact CG-CB 3.93Å; W144-A148 WeakPolarHBondContact O-CB 2.91Å; W144-A148 PolarHBondContact O-N 2.81Å; P145-A148 PolarHBondContact O-N 3.36Å; C146-A148 VanDerWaalsContact C-N 3.34Å; A148-I151 PolarHBondContact O-N 2.94Å; A148-A152 WeakPolarHBondContact O-CB 3.36Å; A148-A152 PolarHBondContact O-N 2.82Å
149	L	94.4	Very high	94	Very high	118 Å²	118	44.3 Å²	44.3	62%	0.618	22%	0.222	S	C	*	.	H	α-helix	trans	-60.5	-45.4	172.6	-71.4	173	0	0	0	111.3	P145 C146 I151 A152 E153	P145-L149 WeakPolarHBondContact O-CG 3.5Å; P145-L149 PolarHBondContact O-N 3.39Å; C146-L149 PolarHBondContact O-N 3.27Å; L149-I151 VanDerWaalsContact C-N 3.35Å; L149-I151 PolarHBondContact O-N 3.45Å; L149-A152 WeakPolarHBondContact O-CB 3.34Å; L149-A152 PolarHBondContact O-N 3.33Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L149-E153 WeakPolarHBondContact O-CG 3.19Å; L149-E153 PolarHBondContact O-N 3.08Å
150	L	95.8	Very high	94.3	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-44.7	177.2	-163.7	67.3	0	0	0	111.5	L14 C146 V147 A152 E153 M154 L168 I171 A175	L14-L150 HydrophobicContact CD2-CD2 4.03Å; C146-L150 PolarHBondContact O-N 3.03Å; V147-L150 PolarHBondContact O-N 3.4Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.12Å; L150-E153 WeakPolarHBondContact O-CB 3.27Å; L150-E153 PolarHBondContact O-N 3.41Å; L150-M154 HydrophobicContact CB-CE 4.24Å; L150-M154 HydrophobicContact CD2-CE 4.08Å; L150-M154 HydrophobicContact CG-CE 3.73Å; L150-M154 WeakPolarHBondContact O-CE 3.29Å; L150-M154 WeakPolarHBondContact O-CG 3.42Å; L150-M154 PolarHBondContact O-N 3.22Å; L150-L168 HydrophobicContact CD1-CD1 3.45Å; L150-L168 VanDerWaalsContact CD1-CD1 3.45Å; L150-L168 HydrophobicContact CG-CD1 3.96Å; L150-I171 HydrophobicContact CD1-CD1 3.88Å; L150-I171 HydrophobicContact CD1-CG1 4.03Å; L150-A175 HydrophobicContact CD1-CB 4.5Å
151	I	96.1	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-44.1	174.7	-71.2	162.9	0	0	0	110.5	T111 L112 L131 F140 V147 A148 L149 E153 M154 V155	T111-I151 HydrophobicContact CG2-CD1 4.02Å; T111-I151 HydrophobicContact CG2-CG1 3.77Å; L112-I151 HydrophobicContact CB-CD1 4Å; L112-I151 HydrophobicContact CD1-CD1 4.27Å; L131-I151 HydrophobicContact CD1-CG2 3.67Å; F140-I151 HydrophobicContact CE1-CD1 3.68Å; F140-I151 HydrophobicContact CZ-CD1 3.63Å; V147-I151 HydrophobicContact CG1-CD1 3.98Å; V147-I151 HydrophobicContact CG1-CG1 4.47Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.34Å; V147-I151 PolarHBondContact O-N 2.95Å; A148-I151 PolarHBondContact O-N 2.94Å; L149-I151 VanDerWaalsContact C-N 3.35Å; L149-I151 PolarHBondContact O-N 3.45Å; I151-E153 VanDerWaalsContact C-N 3.31Å; I151-E153 PolarHBondContact O-N 3.45Å; I151-M154 HydrophobicContact CG1-CE 4.08Å; I151-M154 CarbonylContact O-C 3.56Å; I151-M154 WeakPolarHBondContact O-CA 3.45Å; I151-M154 WeakPolarHBondContact O-CB 3.06Å; I151-M154 PolarHBondContact O-N 3.34Å; I151-V155 HydrophobicContact CG2-CG1 4.48Å; I151-V155 HydrophobicContact CG2-CG2 4.29Å; I151-V155 VanDerWaalsContact O-CG2 3.22Å; I151-V155 WeakPolarHBondContact O-CG2 3.14Å; I151-V155 PolarHBondContact O-N 3.34Å
152	A	94.6	Very high	94.7	Very high	40 Å²	40	48.4 Å²	48.4	33%	0.331	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-38.5	178.6	0	0	0	0	0	112.4	A148 L149 L150 R156	A148-A152 WeakPolarHBondContact O-CB 3.36Å; A148-A152 PolarHBondContact O-N 2.82Å; L149-A152 WeakPolarHBondContact O-CB 3.34Å; L149-A152 PolarHBondContact O-N 3.33Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.12Å; A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 PolarHBondContact O-N 3.3Å
153	E	95.6	Very high	95	Very high	47 Å²	47	42.7 Å²	42.7	22%	0.22	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-40	171.3	-65.6	-60.8	144	0	0	112.3	L149 L150 I151 R156 R162 L163 I171	L149-E153 WeakPolarHBondContact O-CG 3.19Å; L149-E153 PolarHBondContact O-N 3.08Å; L150-E153 WeakPolarHBondContact O-CB 3.27Å; L150-E153 PolarHBondContact O-N 3.41Å; I151-E153 VanDerWaalsContact C-N 3.31Å; I151-E153 PolarHBondContact O-N 3.45Å; E153-R156 IonicContact OE1-CZ 3.12Å; E153-R156 IonicContact OE1-NH1 3.81Å; E153-R156 IonicContact OE1-NH2 3.29Å; E153-R156 PolarHBondContact OE1-NH2 3.2Å; E153-R156 IonicContact OE2-CZ 2.77Å; E153-R156 IonicContact OE2-NH1 3.85Å; E153-R156 PolarHBondContact OE2-NH1 2.81Å; E153-R156 IonicContact OE2-NH2 3.87Å; E153-R156 PolarHBondContact OE2-NH2 3.27Å; E153-R156 VanDerWaalsContact OE2-NH2 3.14Å; E153-R162 WeakPolarHBondContact O-CG 3.42Å; E153-L163 HydrophobicContact CB-CD1 3.61Å; E153-L163 HydrophobicContact CB-CG 3.97Å; E153-L163 HydrophobicContact CG-CD1 3.95Å; E153-I171 HydrophobicContact CG-CD1 4.41Å
154	M	97	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.1	-33.9	-179.4	-73.1	-173.5	-82.7	0	0	113.3	V104 Y105 L107 T111 L150 I151 R162 L168	V104-M154 HydrophobicContact CG1-CB 4.09Å; V104-M154 HydrophobicContact CG1-CG 3.91Å; Y105-M154 WeakPolarHBondContact CA-O 3.49Å; L107-M154 HydrophobicContact CB-SD 4.36Å; L107-M154 HydrophobicContact CD2-SD 4.29Å; L107-M154 HydrophobicContact CG-SD 4.01Å; T111-M154 HydrophobicContact CG2-CE 3.98Å; L150-M154 HydrophobicContact CB-CE 4.24Å; L150-M154 HydrophobicContact CD2-CE 4.08Å; L150-M154 HydrophobicContact CG-CE 3.73Å; L150-M154 WeakPolarHBondContact O-CE 3.29Å; L150-M154 WeakPolarHBondContact O-CG 3.42Å; L150-M154 PolarHBondContact O-N 3.22Å; I151-M154 HydrophobicContact CG1-CE 4.08Å; I151-M154 CarbonylContact O-C 3.56Å; I151-M154 WeakPolarHBondContact O-CA 3.45Å; I151-M154 WeakPolarHBondContact O-CB 3.06Å; I151-M154 PolarHBondContact O-N 3.34Å; M154-R162 WeakPolarHBondContact O-CD 3.43Å; M154-R162 WeakPolarHBondContact O-CG 3.37Å; M154-R162 PolarHBondContact O-NE 2.96Å; M154-L168 HydrophobicContact CG-CD1 3.79Å; M154-L168 HydrophobicContact CG-CD2 3.93Å; M154-L168 HydrophobicContact SD-CD1 4.12Å; M154-L168 HydrophobicContact SD-CD2 3.76Å
155	V	95.6	Very high	95.4	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	11.1	-178.7	-59.2	0	0	0	0	113.6	Y105 L131 I151	Y105-V155 HydrophobicContact CD2-CB 3.99Å; Y105-V155 HydrophobicContact CD2-CG1 4.11Å; Y105-V155 HydrophobicContact CE2-CB 3.79Å; Y105-V155 HydrophobicContact CE2-CG1 4.05Å; L131-V155 HydrophobicContact CD1-CG1 4.33Å; L131-V155 HydrophobicContact CD1-CG2 3.71Å; L131-V155 HydrophobicContact CD2-CG1 4.07Å; L131-V155 HydrophobicContact CG-CG1 4.2Å; L131-V155 HydrophobicContact CG-CG2 4.24Å; I151-V155 HydrophobicContact CG2-CG1 4.48Å; I151-V155 HydrophobicContact CG2-CG2 4.29Å; I151-V155 VanDerWaalsContact O-CG2 3.22Å; I151-V155 WeakPolarHBondContact O-CG2 3.14Å; I151-V155 PolarHBondContact O-N 3.34Å
156	R	94.9	Very high	95.6	Very high	81 Å²	81	42 Å²	42	31%	0.306	22%	0.217	S	C	.	.			trans	-55.9	142.6	-177.3	-173.6	171.7	-75.6	150.6	-1.5	111.6	A152 E153 Q161 R162	A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 PolarHBondContact O-N 3.3Å; E153-R156 IonicContact OE1-CZ 3.12Å; E153-R156 IonicContact OE1-NH1 3.81Å; E153-R156 IonicContact OE1-NH2 3.29Å; E153-R156 PolarHBondContact OE1-NH2 3.2Å; E153-R156 IonicContact OE2-CZ 2.77Å; E153-R156 IonicContact OE2-NH1 3.85Å; E153-R156 PolarHBondContact OE2-NH1 2.81Å; E153-R156 IonicContact OE2-NH2 3.87Å; E153-R156 PolarHBondContact OE2-NH2 3.27Å; E153-R156 VanDerWaalsContact OE2-NH2 3.14Å; R156-Q161 VanDerWaalsContact CD-CB 3.45Å; R156-Q161 VanDerWaalsContact CD-O 3.3Å; R156-Q161 WeakPolarHBondContact CD-O 3.33Å; R156-Q161 HydrophobicContact CG-CB 3.98Å; R156-Q161 PolarHBondContact NH1-O 3.4Å; R156-R162 HydrophobicContact CB-CB 4.36Å; R156-R162 PolarHBondContact O-NE 3.44Å; R156-R162 PolarHBondContact O-NH2 3.05Å
157	Q	92.4	Very high	95.7	Very high	95 Å²	95	45.8 Å²	45.8	44%	0.444	23%	0.234	S	C	.	.	S	Bend	trans	-128.1	141.3	172.9	-71.8	178.2	71.3	0	0	109.5	R132	R132-Q157 PolarHBondContact O-NE2 3.15Å
158	P	93.1	Very high	95.8	Very high	67 Å²	67	45.8 Å²	45.8	44%	0.435	23%	0.234	S	C	.	.	S	Bend	cis	-71.4	163	0.1	37.1	-40.6	0	0	0	112.2	E160 Q161	P158-E160 VanDerWaalsContact CB-OE2 3.27Å; P158-E160 WeakPolarHBondContact CB-OE2 3.35Å; P158-E160 PolarHBondContact O-N 3.01Å; P158-E160 VanDerWaalsContact O-N 3.16Å; P158-Q161 HydrophobicContact CG-CG 4.21Å; P158-Q161 PolarHBondContact O-N 2.98Å
159	S	94.1	Very high	95.9	Very high	18 Å²	18	49 Å²	49	13%	0.126	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.9	-26.3	-168.6	50.2	0	0	0	0	113.4	E91 Q161 R162	E91-S159 WeakPolarHBondContact OE1-CB 3.4Å; S159-Q161 PolarHBondContact O-N 3.43Å; S159-R162 WeakPolarHBondContact O-CB 3.42Å; S159-R162 PolarHBondContact O-N 3.28Å
160	E	93.8	Very high	96.1	Very high	145 Å²	145	51.2 Å²	51.2	68%	0.678	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-64.5	-23	177.7	-57.9	78.1	-172.6	0	0	112.8	P158	P158-E160 VanDerWaalsContact CB-OE2 3.27Å; P158-E160 WeakPolarHBondContact CB-OE2 3.35Å; P158-E160 PolarHBondContact O-N 3.01Å; P158-E160 VanDerWaalsContact O-N 3.16Å
161	Q	95.7	Very high	96.1	Very high	115 Å²	115	54.2 Å²	54.2	54%	0.537	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-91.6	-12.2	177	-58.4	-178.8	9.5	0	0	112.8	R156 P158 S159	R156-Q161 VanDerWaalsContact CD-CB 3.45Å; R156-Q161 VanDerWaalsContact CD-O 3.3Å; R156-Q161 WeakPolarHBondContact CD-O 3.33Å; R156-Q161 HydrophobicContact CG-CB 3.98Å; R156-Q161 PolarHBondContact NH1-O 3.4Å; P158-Q161 HydrophobicContact CG-CG 4.21Å; P158-Q161 PolarHBondContact O-N 2.98Å; S159-Q161 PolarHBondContact O-N 3.43Å
162	R	96.8	Very high	96	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.008	26%	0.26	C	S	.	.	S	Bend	trans	-68.8	140.3	177.7	-167.5	-174.5	-62	146.4	8.7	109.5	E91 K101 V104 E153 M154 R156 S159	E91-R162 IonicContact OE1-CZ 3.47Å; E91-R162 IonicContact OE1-NH1 3.61Å; E91-R162 PolarHBondContact OE1-NH1 3.15Å; E91-R162 IonicContact OE1-NH2 2.66Å; E91-R162 PolarHBondContact OE1-NH2 2.89Å; E91-R162 IonicContact OE2-NH2 3.12Å; E91-R162 PolarHBondContact OE2-NH2 3.46Å; E91-R162 VanDerWaalsContact OE2-NH2 3.14Å; K101-R162 VanDerWaalsContact C-NH1 3.3Å; K101-R162 PolarHBondContact NZ-O 3.34Å; K101-R162 WeakPolarHBondContact O-CD 3.34Å; K101-R162 PolarHBondContact O-NH1 3.4Å; V104-R162 HydrophobicContact CG1-CG 4.25Å; E153-R162 WeakPolarHBondContact O-CG 3.42Å; M154-R162 WeakPolarHBondContact O-CD 3.43Å; M154-R162 WeakPolarHBondContact O-CG 3.37Å; M154-R162 PolarHBondContact O-NE 2.96Å; R156-R162 HydrophobicContact CB-CB 4.36Å; R156-R162 PolarHBondContact O-NE 3.44Å; R156-R162 PolarHBondContact O-NH2 3.05Å; S159-R162 WeakPolarHBondContact O-CB 3.42Å; S159-R162 PolarHBondContact O-N 3.28Å
163	L	97.3	Very high	96.1	Very high	25 Å²	25	54.7 Å²	54.7	13%	0.131	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-63	145.1	177.8	-62.9	-176.6	0	0	0	111.6	K101 V104 E153 E167 I171	K101-L163 WeakPolarHBondContact CD-O 3.47Å; V104-L163 WeakPolarHBondContact CG1-O 3.22Å; E153-L163 HydrophobicContact CB-CD1 3.61Å; E153-L163 HydrophobicContact CB-CG 3.97Å; E153-L163 HydrophobicContact CG-CD1 3.95Å; L163-E167 HydrophobicContact CB-CB 4.14Å; L163-E167 HydrophobicContact CD2-CB 4.08Å; L163-I171 HydrophobicContact CD1-CD1 3.28Å; L163-I171 HydrophobicContact CD1-CG1 4.13Å
164	S	98	Very high	96	Very high	20 Å²	20	57 Å²	57	14%	0.14	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.4	162.2	164.7	62.3	0	0	0	0	110.2	K101 E166 E167 L168	K101-S164 VanDerWaalsContact CE-CB 3.5Å; S164-E166 PolarHBondContact O-N 3.01Å; S164-E167 VanDerWaalsContact CB-OE2 3.31Å; S164-E167 WeakPolarHBondContact CB-OE2 3.21Å; S164-E167 PolarHBondContact N-OE2 3.27Å; S164-E167 PolarHBondContact O-N 2.83Å; S164-E167 VanDerWaalsContact OG-CD 3.31Å; S164-E167 VanDerWaalsContact OG-CG 3.28Å; S164-E167 WeakPolarHBondContact OG-CG 3.34Å; S164-E167 PolarHBondContact OG-N 3.22Å; S164-E167 VanDerWaalsContact OG-N 3.11Å; S164-E167 PolarHBondContact OG-OE2 2.93Å; S164-L168 VanDerWaalsContact O-CB 3.3Å; S164-L168 WeakPolarHBondContact O-CB 3.15Å; S164-L168 PolarHBondContact O-N 3.38Å
165	S	98	Very high	95.9	Very high	8 Å²	8	57.7 Å²	57.7	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-29	172.1	55.6	0	0	0	0	113	H25 W169	H25-S165 WeakPolarHBondContact ND1-CB 3.15Å; H25-S165 PolarHBondContact ND1-OG 3.19Å; S165-W169 WeakPolarHBondContact O-CB 3.36Å; S165-W169 PolarHBondContact O-N 3.3Å
166	E	98.1	Very high	95.9	Very high	70 Å²	70	57.5 Å²	57.5	33%	0.327	28%	0.277	S	S	.	.	H	α-helix	trans	-74.1	-42.9	176.6	177.7	61.3	-154.5	0	0	111.6	R22 S164 W169 R170	R22-E166 WeakPolarHBondContact CD-OE2 3.19Å; R22-E166 IonicContact NH1-OE2 3.67Å; R22-E166 PolarHBondContact NH1-OE2 2.9Å; S164-E166 PolarHBondContact O-N 3.01Å; E166-W169 PolarHBondContact O-N 3.49Å; E166-R170 WeakPolarHBondContact O-CG 3.14Å; E166-R170 PolarHBondContact O-N 2.98Å; E166-R170 IonicContact OE1-CZ 3.14Å; E166-R170 IonicContact OE1-NE 3.14Å; E166-R170 PolarHBondContact OE1-NE 3.2Å; E166-R170 IonicContact OE1-NH2 2.63Å; E166-R170 PolarHBondContact OE1-NH2 3.31Å; E166-R170 VanDerWaalsContact OE1-NH2 3.14Å
167	E	98.1	Very high	95.8	Very high	90 Å²	90	60 Å²	60	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-42.5	173.3	-70	160.1	136.8	0	0	111.2	K101 L163 S164 W169 R170 I171	K101-E167 IonicContact NZ-OE2 3.36Å; L163-E167 HydrophobicContact CB-CB 4.14Å; L163-E167 HydrophobicContact CD2-CB 4.08Å; S164-E167 VanDerWaalsContact CB-OE2 3.31Å; S164-E167 WeakPolarHBondContact CB-OE2 3.21Å; S164-E167 PolarHBondContact N-OE2 3.27Å; S164-E167 PolarHBondContact O-N 2.83Å; S164-E167 VanDerWaalsContact OG-CD 3.31Å; S164-E167 VanDerWaalsContact OG-CG 3.28Å; S164-E167 WeakPolarHBondContact OG-CG 3.34Å; S164-E167 PolarHBondContact OG-N 3.22Å; S164-E167 VanDerWaalsContact OG-N 3.11Å; S164-E167 PolarHBondContact OG-OE2 2.93Å; E167-W169 VanDerWaalsContact C-N 3.3Å; E167-W169 PolarHBondContact O-N 3.13Å; E167-R170 WeakPolarHBondContact O-CB 3.33Å; E167-R170 PolarHBondContact O-N 3.44Å; E167-R170 VanDerWaalsContact O-N 3.08Å; E167-I171 PolarHBondContact O-N 3.32Å
168	L	97.5	Very high	95.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-40.6	176.8	-174.6	65.1	0	0	0	111.9	I18 V104 L107 L150 M154 S164 R170 I171 G172	I18-L168 HydrophobicContact CD1-CD2 4.24Å; I18-L168 HydrophobicContact CD1-CG 4.08Å; I18-L168 HydrophobicContact CG1-CD2 3.84Å; I18-L168 HydrophobicContact CG1-CG 4.14Å; I18-L168 HydrophobicContact CG2-CB 4.36Å; I18-L168 HydrophobicContact CG2-CD2 4.13Å; I18-L168 HydrophobicContact CG2-CG 4.01Å; V104-L168 HydrophobicContact CG1-CD2 4.25Å; L107-L168 HydrophobicContact CD2-CD2 3.78Å; L150-L168 HydrophobicContact CD1-CD1 3.45Å; L150-L168 VanDerWaalsContact CD1-CD1 3.45Å; L150-L168 HydrophobicContact CG-CD1 3.96Å; M154-L168 HydrophobicContact CG-CD1 3.79Å; M154-L168 HydrophobicContact CG-CD2 3.93Å; M154-L168 HydrophobicContact SD-CD1 4.12Å; M154-L168 HydrophobicContact SD-CD2 3.76Å; S164-L168 VanDerWaalsContact O-CB 3.3Å; S164-L168 WeakPolarHBondContact O-CB 3.15Å; S164-L168 PolarHBondContact O-N 3.38Å; L168-R170 VanDerWaalsContact C-N 3.27Å; L168-R170 PolarHBondContact O-N 3.48Å; L168-I171 PolarHBondContact O-N 3.12Å; L168-G172 WeakPolarHBondContact O-CA 3.34Å; L168-G172 PolarHBondContact O-N 2.96Å
169	W	97.6	Very high	95.9	Very high	72 Å²	72	57 Å²	57	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-29.5	175.9	177.6	-107.9	0	0	0	113.7	I18 E19 R22 S165 E166 E167 P173	I18-W169 HydrophobicContact CB-CE3 4.33Å; I18-W169 HydrophobicContact CG2-CB 3.95Å; I18-W169 HydrophobicContact CG2-CE3 3.88Å; E19-W169 HydrophobicContact CB-CE3 4.2Å; E19-W169 HydrophobicContact CB-CH2 4.03Å; E19-W169 HydrophobicContact CB-CZ3 3.66Å; E19-W169 HydrophobicContact CG-CH2 4.21Å; E19-W169 HydrophobicContact CG-CZ3 4.3Å; R22-W169 VanDerWaalsContact CD-CB 3.49Å; S165-W169 WeakPolarHBondContact O-CB 3.36Å; S165-W169 PolarHBondContact O-N 3.3Å; E166-W169 PolarHBondContact O-N 3.49Å; E167-W169 VanDerWaalsContact C-N 3.3Å; E167-W169 PolarHBondContact O-N 3.13Å; W169-P173 WeakPolarHBondContact O-CD 3.35Å
170	R	97.5	Very high	95.8	Very high	165 Å²	165	58.5 Å²	58.5	62%	0.623	28%	0.281	S	S	*	.	H	α-helix	trans	-75.1	-37.2	178.2	-67.7	172.3	-174.1	-155.3	0.4	112.5	E166 E167 L168	E166-R170 WeakPolarHBondContact O-CG 3.14Å; E166-R170 PolarHBondContact O-N 2.98Å; E166-R170 IonicContact OE1-CZ 3.14Å; E166-R170 IonicContact OE1-NE 3.14Å; E166-R170 PolarHBondContact OE1-NE 3.2Å; E166-R170 IonicContact OE1-NH2 2.63Å; E166-R170 PolarHBondContact OE1-NH2 3.31Å; E166-R170 VanDerWaalsContact OE1-NH2 3.14Å; E167-R170 WeakPolarHBondContact O-CB 3.33Å; E167-R170 PolarHBondContact O-N 3.44Å; E167-R170 VanDerWaalsContact O-N 3.08Å; L168-R170 VanDerWaalsContact C-N 3.27Å; L168-R170 PolarHBondContact O-N 3.48Å
171	I	96.2	Very high	95.8	Very high	68 Å²	68	56.4 Å²	56.4	35%	0.349	27%	0.271	S	S	.	.	H	α-helix	trans	-95.7	-27.5	-175.5	69.1	162.4	0	0	0	113.2	L150 E153 L163 E167 L168 I174 A175	L150-I171 HydrophobicContact CD1-CD1 3.88Å; L150-I171 HydrophobicContact CD1-CG1 4.03Å; E153-I171 HydrophobicContact CG-CD1 4.41Å; L163-I171 HydrophobicContact CD1-CD1 3.28Å; L163-I171 HydrophobicContact CD1-CG1 4.13Å; E167-I171 PolarHBondContact O-N 3.32Å; L168-I171 PolarHBondContact O-N 3.12Å; I171-I174 PolarHBondContact O-N 3.31Å; I171-A175 PolarHBondContact O-N 3.11Å
172	G	95	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.6	-53.8	-173.7	0	0	0	0	0	113.2	L168 I174 A175 L176	L168-G172 WeakPolarHBondContact O-CA 3.34Å; L168-G172 PolarHBondContact O-N 2.96Å; G172-I174 VanDerWaalsContact C-N 3.28Å; G172-I174 PolarHBondContact O-N 2.78Å; G172-A175 PolarHBondContact O-N 3.02Å; G172-L176 WeakPolarHBondContact O-CG 3.28Å; G172-L176 PolarHBondContact O-N 2.95Å
173	P	95.2	Very high	95.2	Very high	49 Å²	49	53.4 Å²	53.4	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-55.7	-41.7	177.3	-26.2	34.4	0	0	0	113.4	L15 W169 L176 E177	L15-P173 HydrophobicContact CD2-CB 4.41Å; L15-P173 HydrophobicContact CD2-CG 3.86Å; W169-P173 WeakPolarHBondContact O-CD 3.35Å; P173-L176 PolarHBondContact O-N 3.4Å; P173-E177 WeakPolarHBondContact O-CB 3.41Å; P173-E177 PolarHBondContact O-N 3.2Å
174	I	95.2	Very high	94.9	Very high	95 Å²	95	56.2 Å²	56.2	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-48.5	-179.5	-55.6	175.5	0	0	0	110	I171 G172 L176 E177 E178	I171-I174 PolarHBondContact O-N 3.31Å; G172-I174 VanDerWaalsContact C-N 3.28Å; G172-I174 PolarHBondContact O-N 2.78Å; I174-L176 VanDerWaalsContact C-N 3.28Å; I174-L176 PolarHBondContact O-N 3.23Å; I174-E177 PolarHBondContact O-N 3.45Å; I174-E178 WeakPolarHBondContact O-CG 3.32Å; I174-E178 PolarHBondContact O-N 2.94Å
175	A	93.9	Very high	94.5	Very high	15 Å²	15	60.6 Å²	60.6	12%	0.124	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-38.2	179	0	0	0	0	0	112.2	C146 L150 I171 G172 Q179	C146-A175 WeakPolarHBondContact CB-O 3.12Å; L150-A175 HydrophobicContact CD1-CB 4.5Å; I171-A175 PolarHBondContact O-N 3.11Å; G172-A175 PolarHBondContact O-N 3.02Å; A175-Q179 PolarHBondContact O-N 3.22Å
176	L	94.7	Very high	94	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-74.3	-36	177.8	-62.9	-177.8	0	0	0	112.3	E11 L14 L15 V147 G172 P173 I174 Q179 V180	E11-L176 HydrophobicContact CB-CD1 4Å; E11-L176 HydrophobicContact CG-CB 4.29Å; E11-L176 HydrophobicContact CG-CD1 4.13Å; E11-L176 HydrophobicContact CG-CD2 4.04Å; E11-L176 HydrophobicContact CG-CG 4.36Å; L14-L176 HydrophobicContact CD2-CD1 4.2Å; L14-L176 HydrophobicContact CD2-CD2 4.31Å; L15-L176 HydrophobicContact CD1-CD1 4.34Å; L15-L176 HydrophobicContact CD2-CD1 3.93Å; L15-L176 HydrophobicContact CG-CD1 3.84Å; V147-L176 HydrophobicContact CG2-CD2 4.16Å; G172-L176 WeakPolarHBondContact O-CG 3.28Å; G172-L176 PolarHBondContact O-N 2.95Å; P173-L176 PolarHBondContact O-N 3.4Å; I174-L176 VanDerWaalsContact C-N 3.28Å; I174-L176 PolarHBondContact O-N 3.23Å; L176-Q179 WeakPolarHBondContact O-CB 3.41Å; L176-Q179 PolarHBondContact O-N 2.93Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 2.96Å
177	E	94.2	Very high	93.5	Very high	134 Å²	134	66.2 Å²	66.2	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-62.3	-44.8	172.8	-174.3	170.5	-162.9	0	0	111.4	P173 I174 Q179 V180 E181	P173-E177 WeakPolarHBondContact O-CB 3.41Å; P173-E177 PolarHBondContact O-N 3.2Å; I174-E177 PolarHBondContact O-N 3.45Å; E177-Q179 VanDerWaalsContact C-N 3.3Å; E177-Q179 PolarHBondContact O-N 3.33Å; E177-V180 WeakPolarHBondContact O-CB 3.38Å; E177-V180 PolarHBondContact O-N 2.97Å; E177-E181 PolarHBondContact O-N 3.46Å; E177-E181 VanDerWaalsContact O-N 3.09Å
178	E	93.8	Very high	93.1	Very high	99 Å²	99	70.4 Å²	70.4	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-39	173.2	-71.6	179.7	177.1	0	0	112.1	I174 V180 E181 I182	I174-E178 WeakPolarHBondContact O-CG 3.32Å; I174-E178 PolarHBondContact O-N 2.94Å; E178-V180 VanDerWaalsContact C-N 3.35Å; E178-V180 PolarHBondContact O-N 3.47Å; E178-E181 PolarHBondContact O-N 3.22Å; E178-I182 WeakPolarHBondContact O-CG1 3.36Å; E178-I182 PolarHBondContact O-N 3.46Å
179	Q	92.8	Very high	92.5	Very high	0 Å²	0	77 Å²	77	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-45.2	175.1	-173.5	57.7	62.5	0	0	111.7	R143 W144 C146 V147 A175 L176 E177 E181 I182 E183	R143-Q179 PolarHBondContact O-NE2 3.28Å; W144-Q179 HydrophobicContact CE3-CG 4.26Å; C146-Q179 HydrophobicContact CB-CB 3.99Å; V147-Q179 HydrophobicContact CG2-CG 3.95Å; A175-Q179 PolarHBondContact O-N 3.22Å; L176-Q179 WeakPolarHBondContact O-CB 3.41Å; L176-Q179 PolarHBondContact O-N 2.93Å; E177-Q179 VanDerWaalsContact C-N 3.3Å; E177-Q179 PolarHBondContact O-N 3.33Å; Q179-E181 VanDerWaalsContact C-N 3.32Å; Q179-E181 PolarHBondContact O-N 3.43Å; Q179-I182 WeakPolarHBondContact O-CB 3.42Å; Q179-I182 PolarHBondContact O-N 2.76Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 3.09Å
180	V	92.4	Very high	91.7	Very high	50 Å²	50	77.6 Å²	77.6	30%	0.303	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-41.3	177.6	172	0	0	0	0	110.9	E11 L176 E177 E178 I182 E183 L184	E11-V180 WeakPolarHBondContact OE2-CG2 3.4Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 2.96Å; E177-V180 WeakPolarHBondContact O-CB 3.38Å; E177-V180 PolarHBondContact O-N 2.97Å; E178-V180 VanDerWaalsContact C-N 3.35Å; E178-V180 PolarHBondContact O-N 3.47Å; V180-I182 PolarHBondContact O-N 3.05Å; V180-E183 PolarHBondContact O-N 2.98Å; V180-L184 HydrophobicContact CG1-CD1 4.22Å; V180-L184 WeakPolarHBondContact O-CG 3.5Å; V180-L184 PolarHBondContact O-N 3.2Å
181	E	93.1	Very high	90	Very high	100 Å²	100	75.4 Å²	75.4	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-61.6	-42.4	175.4	-69.4	-165	174.9	0	0	112.7	E177 E178 Q179 E183 L184 K185	E177-E181 PolarHBondContact O-N 3.46Å; E177-E181 VanDerWaalsContact O-N 3.09Å; E178-E181 PolarHBondContact O-N 3.22Å; Q179-E181 VanDerWaalsContact C-N 3.32Å; Q179-E181 PolarHBondContact O-N 3.43Å; E181-E183 VanDerWaalsContact C-N 3.33Å; E181-L184 PolarHBondContact O-N 3.48Å; E181-K185 WeakPolarHBondContact O-CG 3.4Å; E181-K185 PolarHBondContact O-N 3.33Å; E181-K185 IonicContact OE2-NZ 3.7Å
182	I	91	Very high	88.1	Confident	45 Å²	45	77.2 Å²	77.2	23%	0.231	40%	0.397	C	S	.	.	H	α-helix	trans	-61.4	-44.8	176.3	-69	170.4	0	0	0	110	P145 E178 Q179 V180 L184 K185 M186	P145-I182 HydrophobicContact CG-CD1 3.74Å; P145-I182 HydrophobicContact CG-CG2 4.34Å; E178-I182 WeakPolarHBondContact O-CG1 3.36Å; E178-I182 PolarHBondContact O-N 3.46Å; Q179-I182 WeakPolarHBondContact O-CB 3.42Å; Q179-I182 PolarHBondContact O-N 2.76Å; V180-I182 PolarHBondContact O-N 3.05Å; I182-L184 VanDerWaalsContact C-N 3.35Å; I182-L184 PolarHBondContact O-N 3.04Å; I182-K185 PolarHBondContact O-N 3.26Å; I182-M186 HydrophobicContact CG2-CE 3.73Å; I182-M186 HydrophobicContact CG2-CG 4.49Å; I182-M186 HydrophobicContact CG2-SD 4.3Å; I182-M186 WeakPolarHBondContact O-CG 3.32Å; I182-M186 PolarHBondContact O-N 3.48Å
183	E	89.3	Confident	86.3	Confident	9 Å²	9	85.6 Å²	85.6	4%	0.042	44%	0.44	C	S	.	.	H	α-helix	trans	-60.6	-42.7	177.2	-72.2	-149.9	104.6	0	0	112.7	P7 R143 W144 Q179 V180 E181 K185 M186 K187	P7-E183 WeakPolarHBondContact CG-OE2 3.36Å; R143-E183 IonicContact CZ-OE1 3.59Å; R143-E183 IonicContact NH1-OE1 3.92Å; R143-E183 IonicContact NH2-OE1 2.76Å; R143-E183 PolarHBondContact NH2-OE1 3.48Å; W144-E183 WeakPolarHBondContact CH2-OE1 3.46Å; W144-E183 VanDerWaalsContact CZ3-CD 3.49Å; W144-E183 HydrophobicContact CZ3-CG 4.11Å; W144-E183 WeakPolarHBondContact CZ3-OE1 3.32Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 3.09Å; V180-E183 PolarHBondContact O-N 2.98Å; E181-E183 VanDerWaalsContact C-N 3.33Å; E183-K185 VanDerWaalsContact C-N 3.34Å; E183-M186 PolarHBondContact O-N 3.35Å; E183-K187 WeakPolarHBondContact O-CG 3.34Å; E183-K187 PolarHBondContact O-N 3.43Å
184	L	90.6	Very high	84.2	Confident	85 Å²	85	92.6 Å²	92.6	45%	0.445	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-39.9	176.9	-71.7	172.4	0	0	0	111.6	V180 E181 I182 K187 R188	V180-L184 HydrophobicContact CG1-CD1 4.22Å; V180-L184 WeakPolarHBondContact O-CG 3.5Å; V180-L184 PolarHBondContact O-N 3.2Å; E181-L184 PolarHBondContact O-N 3.48Å; I182-L184 VanDerWaalsContact C-N 3.35Å; I182-L184 PolarHBondContact O-N 3.04Å; L184-K187 PolarHBondContact O-N 3.01Å; L184-R188 WeakPolarHBondContact O-CG 3.41Å; L184-R188 PolarHBondContact O-N 3.04Å
185	K	91.2	Very high	83.6	Confident	111 Å²	111	92.5 Å²	92.5	48%	0.483	48%	0.482	S	S	.	.	H	α-helix	trans	-64.1	-44.3	174.7	-71.3	168.5	-172.1	162.2	0	111.4	E181 I182 E183 K187 R188 N189	E181-K185 WeakPolarHBondContact O-CG 3.4Å; E181-K185 PolarHBondContact O-N 3.33Å; E181-K185 IonicContact OE2-NZ 3.7Å; I182-K185 PolarHBondContact O-N 3.26Å; E183-K185 VanDerWaalsContact C-N 3.34Å; K185-K187 PolarHBondContact O-N 3.35Å; K185-R188 PolarHBondContact O-N 3.44Å; K185-N189 PolarHBondContact O-N 3.44Å
186	M	86.7	Confident	83.1	Confident	73 Å²	73	96.5 Å²	96.5	36%	0.36	50%	0.501	S	S	.	.	H	α-helix	trans	-60	-45.4	176.1	-71.9	-179.7	175.9	0	0	112	I182 E183 R188 N189 A190	I182-M186 HydrophobicContact CG2-CE 3.73Å; I182-M186 HydrophobicContact CG2-CG 4.49Å; I182-M186 HydrophobicContact CG2-SD 4.3Å; I182-M186 WeakPolarHBondContact O-CG 3.32Å; I182-M186 PolarHBondContact O-N 3.48Å; E183-M186 PolarHBondContact O-N 3.35Å; M186-R188 PolarHBondContact O-N 2.92Å; M186-N189 PolarHBondContact O-N 3.22Å; M186-A190 WeakPolarHBondContact O-CB 3.42Å; M186-A190 PolarHBondContact O-N 3.05Å
187	K	86.7	Confident	82.4	Confident	124 Å²	124	101.6 Å²	101.6	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-63.3	-39.6	177.3	-73.5	174.3	-177.8	169.7	0	112.4	E183 L184 K185 A190 L191	E183-K187 WeakPolarHBondContact O-CG 3.34Å; E183-K187 PolarHBondContact O-N 3.43Å; L184-K187 PolarHBondContact O-N 3.01Å; K185-K187 PolarHBondContact O-N 3.35Å; K187-A190 PolarHBondContact O-N 3.3Å; K187-L191 PolarHBondContact O-N 3.02Å
188	R	89.8	Confident	81.8	Confident	177 Å²	177	99.6 Å²	99.6	67%	0.668	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-42	176	-77.2	174.1	178.7	167	1.8	112.2	L184 K185 M186	L184-R188 WeakPolarHBondContact O-CG 3.41Å; L184-R188 PolarHBondContact O-N 3.04Å; K185-R188 PolarHBondContact O-N 3.44Å; M186-R188 PolarHBondContact O-N 2.92Å
189	N	85.4	Confident	81	Confident	140 Å²	140	99.7 Å²	99.7	75%	0.749	53%	0.525	S	S	*	.	H	α-helix	trans	-76.2	-22.8	-179.3	-67.3	-13.4	0	0	0	113.5	K185 M186	K185-N189 PolarHBondContact O-N 3.44Å; M186-N189 PolarHBondContact O-N 3.22Å
190	A	80.7	Confident	80.2	Confident	84 Å²	84	106.3 Å²	106.3	69%	0.694	56%	0.56	S	S	*	*	H	α-helix	trans	-81.5	-13	177	0	0	0	0	0	113.6	M186 K187	M186-A190 WeakPolarHBondContact O-CB 3.42Å; M186-A190 PolarHBondContact O-N 3.05Å; K187-A190 PolarHBondContact O-N 3.3Å
191	L	62.3	Low	79.3	Confident	119 Å²	119	110.4 Å²	110.4	62%	0.623	58%	0.578	S	S	*	*	S	Bend	trans	-68.5	126.3	172.6	-75.6	157.4	0	0	0	108.7	K187 I193	K187-L191 PolarHBondContact O-N 3.02Å; L191-I193 PolarHBondContact O-N 3.36Å
192	P	55.5	Low	78.3	Confident	106 Å²	106	111.2 Å²	111.2	69%	0.688	59%	0.587	S	S	*	*			trans	-58.5	135.8	175.4	24.2	-31.9	0	0	0	109	T194	P192-T194 VanDerWaalsContact C-N 3.32Å; P192-T194 PolarHBondContact O-N 2.89Å
193	I	57.4	Low	77.2	Confident	176 Å²	176	116.7 Å²	116.7	90%	0.903	62%	0.616	S	S	*	*			trans	-63.1	100.2	168.9	-48.3	172.4	0	0	0	105.6	L191	L191-I193 PolarHBondContact O-N 3.36Å
194	T	51.3	Low	76.1	Confident	196 Å²	196	126.5 Å²	126.5	100%	1.202	67%	0.669	S	S	*	*			trans	-70	0	172.1	50.4	0	0	0	0	110.9	P192	P192-T194 VanDerWaalsContact C-N 3.32Å; P192-T194 PolarHBondContact O-N 2.89Å

Retrieved 194 of 194 residues in 115.2 ms (Link to these results)

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