A0A5K4EXB0_SCHMA Loading...

Putative rna (Guanine-9-) methyltransferase domain containing

AlphaFold DB , UniProt , Accession A0A5K4EXB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 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	55.8	Low	63.8	Low	164 Å²	164	103.2 Å²	103.2	81%	0.808	52%	0.523	S	S	*	.				0	-49.8	0	-90	-89	-86.2	0	0	111.3	S3	M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact N-OG 2.98Å
2	L	57.3	Low	64.9	Low	146 Å²	146	100 Å²	100	76%	0.764	54%	0.535	S	S	*	.	H	α-helix	trans	-60.8	-39.7	164.6	-80.7	154.5	0	0	0	111.3	I4 F5 Q6	L2-I4 PolarHBondContact O-N 2.94Å; L2-F5 PolarHBondContact O-N 3.27Å; L2-F5 VanDerWaalsContact O-N 3.16Å; L2-Q6 PolarHBondContact O-N 3.25Å; L2-Q6 VanDerWaalsContact O-N 3.07Å
3	S	64	Low	65.7	Low	69 Å²	69	97.2 Å²	97.2	48%	0.483	52%	0.518	S	S	.	.	H	α-helix	trans	-50.5	-56.3	175.9	59	0	0	0	0	113.6	M1 F5 Q6 D7	M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact N-OG 2.98Å; S3-F5 PolarHBondContact O-N 3.01Å; S3-F5 VanDerWaalsContact O-N 3.13Å; S3-Q6 CarbonylContact O-C 3.6Å; S3-Q6 WeakPolarHBondContact O-CA 3.5Å; S3-Q6 VanDerWaalsContact O-CB 3.29Å; S3-Q6 WeakPolarHBondContact O-CB 3.35Å; S3-Q6 PolarHBondContact O-N 3.47Å; S3-D7 PolarHBondContact O-N 3.32Å; S3-D7 VanDerWaalsContact O-OD2 3.1Å
4	I	68.3	Low	66.9	Low	81 Å²	81	95.8 Å²	95.8	42%	0.415	52%	0.517	S	S	.	.	H	α-helix	trans	-56.9	-36.6	-178.4	-58.3	172.6	0	0	0	111.9	L2 L8	L2-I4 PolarHBondContact O-N 2.94Å; I4-L8 HydrophobicContact CG2-CD1 4.08Å; I4-L8 HydrophobicContact CG2-CG 4.46Å; I4-L8 WeakPolarHBondContact O-CB 3.48Å; I4-L8 WeakPolarHBondContact O-CG 3.26Å; I4-L8 PolarHBondContact O-N 3.39Å
5	F	63	Low	68.1	Low	37 Å²	37	97.6 Å²	97.6	16%	0.162	53%	0.526	C	S	.	.	H	α-helix	trans	-73.4	-35.7	178.7	-153.4	-73.5	0	0	0	111.9	L2 S3 K9 Q18 Y21 R22 L25	L2-F5 PolarHBondContact O-N 3.27Å; L2-F5 VanDerWaalsContact O-N 3.16Å; S3-F5 PolarHBondContact O-N 3.01Å; S3-F5 VanDerWaalsContact O-N 3.13Å; F5-K9 HydrophobicContact CD1-CG 4.47Å; F5-K9 HydrophobicContact CE1-CD 4.45Å; F5-K9 HydrophobicContact CE1-CG 4.32Å; F5-K9 PolarHBondContact O-N 3.38Å; F5-Q18 HydrophobicContact CZ-CB 4.47Å; F5-Y21 AromaticContact CD2-CD1 3.54Å; F5-Y21 HydrophobicContact CD2-CD1 3.54Å; F5-Y21 AromaticContact CD2-CE1 3.48Å; F5-Y21 HydrophobicContact CD2-CE1 3.48Å; F5-Y21 VanDerWaalsContact CD2-CE1 3.48Å; F5-Y21 AromaticContact CE2-CD1 3.35Å; F5-Y21 HydrophobicContact CE2-CD1 3.35Å; F5-Y21 AromaticContact CE2-CE1 3.82Å; F5-Y21 HydrophobicContact CE2-CE1 3.82Å; F5-Y21 HydrophobicContact CE2-CG 4.46Å; F5-Y21 HydrophobicContact CG-CE1 4.48Å; F5-Y21 HydrophobicContact CZ-CD1 4.35Å; F5-R22 HydrophobicContact CE1-CG 4.5Å; F5-R22 HydrophobicContact CE2-CG 3.4Å; F5-R22 HydrophobicContact CZ-CG 3.36Å; F5-L25 HydrophobicContact CD2-CD1 4.24Å
6	Q	65.3	Low	69.2	Low	114 Å²	114	96.8 Å²	96.8	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-46.6	172.6	-132.2	102	-1.7	0	0	110.3	L2 S3 L8 K9 N10	L2-Q6 PolarHBondContact O-N 3.25Å; L2-Q6 VanDerWaalsContact O-N 3.07Å; S3-Q6 CarbonylContact O-C 3.6Å; S3-Q6 WeakPolarHBondContact O-CA 3.5Å; S3-Q6 VanDerWaalsContact O-CB 3.29Å; S3-Q6 WeakPolarHBondContact O-CB 3.35Å; S3-Q6 PolarHBondContact O-N 3.47Å; Q6-L8 VanDerWaalsContact C-N 3.35Å; Q6-L8 PolarHBondContact O-N 3.04Å; Q6-K9 WeakPolarHBondContact O-CB 3.44Å; Q6-K9 PolarHBondContact O-N 2.9Å; Q6-K9 VanDerWaalsContact O-N 3.14Å; Q6-N10 VanDerWaalsContact O-CG 3.26Å; Q6-N10 PolarHBondContact O-N 3.29Å; Q6-N10 PolarHBondContact O-ND2 3.41Å
7	D	67.2	Low	70.2	Confident	84 Å²	84	93.9 Å²	93.9	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-43.6	179.6	-58.9	-28.4	0	0	0	111.1	S3 K9 N10 Q11	S3-D7 PolarHBondContact O-N 3.32Å; S3-D7 VanDerWaalsContact O-OD2 3.1Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 3.07Å; D7-N10 PolarHBondContact O-N 3.13Å; D7-Q11 WeakPolarHBondContact O-CG 3.45Å; D7-Q11 PolarHBondContact O-N 3.18Å; D7-Q11 VanDerWaalsContact O-N 3.11Å
8	L	63.1	Low	70.9	Confident	46 Å²	46	90.1 Å²	90.1	24%	0.241	50%	0.496	C	S	.	.	H	α-helix	trans	-67.4	-30.3	177.4	-70.2	171.2	0	0	0	113.4	I4 Q6 M13 Y21	I4-L8 HydrophobicContact CG2-CD1 4.08Å; I4-L8 HydrophobicContact CG2-CG 4.46Å; I4-L8 WeakPolarHBondContact O-CB 3.48Å; I4-L8 WeakPolarHBondContact O-CG 3.26Å; I4-L8 PolarHBondContact O-N 3.39Å; Q6-L8 VanDerWaalsContact C-N 3.35Å; Q6-L8 PolarHBondContact O-N 3.04Å; L8-M13 HydrophobicContact CB-SD 4.31Å; L8-M13 HydrophobicContact CD2-CG 4.47Å; L8-M13 HydrophobicContact CD2-SD 3.88Å; L8-M13 WeakPolarHBondContact O-CB 3.49Å; L8-M13 WeakPolarHBondContact O-CG 3.49Å; L8-Y21 HydrophobicContact CD1-CD1 4.06Å; L8-Y21 HydrophobicContact CD1-CE1 3.91Å
9	K	62	Low	71.8	Confident	104 Å²	104	89.8 Å²	89.8	45%	0.452	49%	0.494	S	S	.	.	H	α-helix	trans	-70.2	-39.3	172.4	-90.2	-173.5	164.2	-159	0	111.6	F5 Q6 D7 Q11 G12	F5-K9 HydrophobicContact CD1-CG 4.47Å; F5-K9 HydrophobicContact CE1-CD 4.45Å; F5-K9 HydrophobicContact CE1-CG 4.32Å; F5-K9 PolarHBondContact O-N 3.38Å; Q6-K9 WeakPolarHBondContact O-CB 3.44Å; Q6-K9 PolarHBondContact O-N 2.9Å; Q6-K9 VanDerWaalsContact O-N 3.14Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 3.07Å; K9-Q11 VanDerWaalsContact C-N 3.26Å; K9-Q11 PolarHBondContact O-N 3.27Å; K9-G12 PolarHBondContact O-N 3.04Å
10	N	66.6	Low	72.7	Confident	132 Å²	132	94.5 Å²	94.5	71%	0.706	50%	0.504	S	S	*	.	H	α-helix	trans	-69.3	-25.1	-179.9	-66.2	-14.5	0	0	0	112.3	Q6 D7 G12	Q6-N10 VanDerWaalsContact O-CG 3.26Å; Q6-N10 PolarHBondContact O-N 3.29Å; Q6-N10 PolarHBondContact O-ND2 3.41Å; D7-N10 PolarHBondContact O-N 3.13Å; N10-G12 VanDerWaalsContact C-N 3.26Å; N10-G12 PolarHBondContact O-N 2.94Å
11	Q	69.5	Low	73.4	Confident	158 Å²	158	92.6 Å²	92.6	74%	0.738	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	20.4	176.4	-67.7	-162.7	-1	0	0	115	D7 K9 M13	D7-Q11 WeakPolarHBondContact O-CG 3.45Å; D7-Q11 PolarHBondContact O-N 3.18Å; D7-Q11 VanDerWaalsContact O-N 3.11Å; K9-Q11 VanDerWaalsContact C-N 3.26Å; K9-Q11 PolarHBondContact O-N 3.27Å; Q11-M13 PolarHBondContact O-N 3.45Å
12	G	76.7	Confident	75	Confident	65 Å²	65	89.5 Å²	89.5	67%	0.67	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	21.2	173.2	0	0	0	0	0	114.9	K9 N10	K9-G12 PolarHBondContact O-N 3.04Å; N10-G12 VanDerWaalsContact C-N 3.26Å; N10-G12 PolarHBondContact O-N 2.94Å
13	M	76.1	Confident	76.6	Confident	63 Å²	63	89.9 Å²	89.9	31%	0.31	46%	0.461	S	S	.	.			trans	-58.2	131	-179.1	-82.1	-143.7	92.3	0	0	111.6	L8 Q11 C17 Q18	L8-M13 HydrophobicContact CB-SD 4.31Å; L8-M13 HydrophobicContact CD2-CG 4.47Å; L8-M13 HydrophobicContact CD2-SD 3.88Å; L8-M13 WeakPolarHBondContact O-CB 3.49Å; L8-M13 WeakPolarHBondContact O-CG 3.49Å; Q11-M13 PolarHBondContact O-N 3.45Å; M13-C17 HydrophobicContact CE-CB 3.4Å; M13-C17 HydrophobicContact SD-CB 4.23Å; M13-Q18 HydrophobicContact CB-CG 4.16Å; M13-Q18 PolarHBondContact O-NE2 3.02Å
14	P	82.4	Confident	78	Confident	78 Å²	78	89.6 Å²	89.6	51%	0.506	45%	0.453	S	S	.	.			trans	-53.2	143.7	176.2	-26.8	33.4	0	0	0	112.6	S16 C17 Q18	P14-S16 PolarHBondContact O-N 2.93Å; P14-S16 VanDerWaalsContact O-N 3.1Å; P14-C17 WeakPolarHBondContact O-CA 3.45Å; P14-C17 WeakPolarHBondContact O-CB 3.37Å; P14-C17 PolarHBondContact O-N 3.45Å; P14-Q18 PolarHBondContact O-N 3.34Å; P14-Q18 VanDerWaalsContact O-N 3.12Å
15	N	84.3	Confident	79.1	Confident	123 Å²	123	88 Å²	88	66%	0.658	45%	0.445	S	S	*	.	H	α-helix	trans	-53.9	-33.9	-180	-78.9	-29.5	0	0	0	113	Q18 N19	N15-Q18 PolarHBondContact O-N 2.95Å; N15-N19 WeakPolarHBondContact O-CB 3.46Å; N15-N19 VanDerWaalsContact O-CG 3.26Å; N15-N19 PolarHBondContact O-N 3.26Å; N15-N19 PolarHBondContact O-ND2 3.01Å
16	S	86.7	Confident	80.6	Confident	85 Å²	85	95.3 Å²	95.3	59%	0.594	47%	0.472	S	S	*	.	H	α-helix	trans	-61	-44.2	174.9	58.3	0	0	0	0	112.2	P14 N19 R20	P14-S16 PolarHBondContact O-N 2.93Å; P14-S16 VanDerWaalsContact O-N 3.1Å; S16-N19 PolarHBondContact O-N 2.98Å; S16-R20 WeakPolarHBondContact O-CB 3.5Å; S16-R20 PolarHBondContact O-N 3.06Å
17	C	86.2	Confident	82	Confident	48 Å²	48	98.2 Å²	98.2	32%	0.324	48%	0.478	S	S	.	.	H	α-helix	trans	-65.7	-44	176.5	-67.7	0	0	0	0	111.9	M13 P14 N19 R20 Y21	M13-C17 HydrophobicContact CE-CB 3.4Å; M13-C17 HydrophobicContact SD-CB 4.23Å; P14-C17 WeakPolarHBondContact O-CA 3.45Å; P14-C17 WeakPolarHBondContact O-CB 3.37Å; P14-C17 PolarHBondContact O-N 3.45Å; C17-N19 VanDerWaalsContact C-N 3.33Å; C17-N19 PolarHBondContact O-N 3.21Å; C17-R20 PolarHBondContact O-N 2.94Å; C17-Y21 PolarHBondContact O-N 3.32Å
18	Q	82.3	Confident	83.3	Confident	24 Å²	24	101.3 Å²	101.3	11%	0.112	48%	0.483	C	S	.	.	H	α-helix	trans	-60.2	-43.8	176.2	-62.8	-174.9	33	0	0	111.4	F5 M13 P14 N15 Y21 R22	F5-Q18 HydrophobicContact CZ-CB 4.47Å; M13-Q18 HydrophobicContact CB-CG 4.16Å; M13-Q18 PolarHBondContact O-NE2 3.02Å; P14-Q18 PolarHBondContact O-N 3.34Å; P14-Q18 VanDerWaalsContact O-N 3.12Å; N15-Q18 PolarHBondContact O-N 2.95Å; Q18-Y21 PolarHBondContact O-N 3.35Å; Q18-R22 WeakPolarHBondContact O-CG 3.49Å; Q18-R22 PolarHBondContact O-N 2.86Å
19	N	88.1	Confident	84.8	Confident	85 Å²	85	105.2 Å²	105.2	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-65.9	-40.9	177.8	-74.7	-25.8	0	0	0	112.2	N15 S16 C17 R22 R23	N15-N19 WeakPolarHBondContact O-CB 3.46Å; N15-N19 VanDerWaalsContact O-CG 3.26Å; N15-N19 PolarHBondContact O-N 3.26Å; N15-N19 PolarHBondContact O-ND2 3.01Å; S16-N19 PolarHBondContact O-N 2.98Å; C17-N19 VanDerWaalsContact C-N 3.33Å; C17-N19 PolarHBondContact O-N 3.21Å; N19-R22 PolarHBondContact O-N 2.75Å; N19-R23 WeakPolarHBondContact O-CB 3.44Å; N19-R23 PolarHBondContact O-N 3.49Å
20	R	89.2	Confident	86.4	Confident	183 Å²	183	104.1 Å²	104.1	69%	0.691	49%	0.494	S	S	*	.	H	α-helix	trans	-59.3	-47.2	172.8	-175.9	178.7	-179.9	-179.2	0.8	111.1	S16 C17 R23 I24	S16-R20 WeakPolarHBondContact O-CB 3.5Å; S16-R20 PolarHBondContact O-N 3.06Å; C17-R20 PolarHBondContact O-N 2.94Å; R20-R23 WeakPolarHBondContact O-CB 3.27Å; R20-R23 PolarHBondContact O-N 3.49Å; R20-I24 HydrophobicContact CG-CD1 4.18Å; R20-I24 WeakPolarHBondContact O-CG1 3.34Å; R20-I24 PolarHBondContact O-N 3.29Å
21	Y	87.2	Confident	87.8	Confident	56 Å²	56	105.6 Å²	105.6	22%	0.22	49%	0.49	C	S	.	.	H	α-helix	trans	-63.4	-44.9	178.6	-177.4	-119.3	0	0	0	112.2	F5 L8 C17 Q18 R23 I24 L25	F5-Y21 AromaticContact CD2-CD1 3.54Å; F5-Y21 HydrophobicContact CD2-CD1 3.54Å; F5-Y21 AromaticContact CD2-CE1 3.48Å; F5-Y21 HydrophobicContact CD2-CE1 3.48Å; F5-Y21 VanDerWaalsContact CD2-CE1 3.48Å; F5-Y21 AromaticContact CE2-CD1 3.35Å; F5-Y21 HydrophobicContact CE2-CD1 3.35Å; F5-Y21 AromaticContact CE2-CE1 3.82Å; F5-Y21 HydrophobicContact CE2-CE1 3.82Å; F5-Y21 HydrophobicContact CE2-CG 4.46Å; F5-Y21 HydrophobicContact CG-CE1 4.48Å; F5-Y21 HydrophobicContact CZ-CD1 4.35Å; L8-Y21 HydrophobicContact CD1-CD1 4.06Å; L8-Y21 HydrophobicContact CD1-CE1 3.91Å; C17-Y21 PolarHBondContact O-N 3.32Å; Q18-Y21 PolarHBondContact O-N 3.35Å; Y21-R23 VanDerWaalsContact C-N 3.29Å; Y21-R23 PolarHBondContact O-N 3.44Å; Y21-I24 PolarHBondContact O-N 2.97Å; Y21-I24 VanDerWaalsContact O-N 3.15Å; Y21-L25 HydrophobicContact CD1-CD1 4.05Å; Y21-L25 HydrophobicContact CE1-CD1 3.51Å; Y21-L25 HydrophobicContact CE1-CG 4.16Å; Y21-L25 HydrophobicContact CE2-CD1 4.38Å; Y21-L25 HydrophobicContact CE2-CD2 4.21Å; Y21-L25 HydrophobicContact CE2-CG 4.16Å; Y21-L25 WeakPolarHBondContact O-CG 3.44Å; Y21-L25 PolarHBondContact O-N 3.25Å
22	R	89.3	Confident	89.1	Confident	98 Å²	98	106 Å²	106	37%	0.37	49%	0.485	S	S	.	.	H	α-helix	trans	-56.4	-42.6	172.8	-73.5	175.2	175.3	-179.1	-2.8	112.1	F5 Q18 N19 L25 R26	F5-R22 HydrophobicContact CE1-CG 4.5Å; F5-R22 HydrophobicContact CE2-CG 3.4Å; F5-R22 HydrophobicContact CZ-CG 3.36Å; Q18-R22 WeakPolarHBondContact O-CG 3.49Å; Q18-R22 PolarHBondContact O-N 2.86Å; N19-R22 PolarHBondContact O-N 2.75Å; R22-L25 PolarHBondContact O-N 2.88Å; R22-R26 WeakPolarHBondContact O-CB 3.38Å; R22-R26 WeakPolarHBondContact O-CG 3.24Å; R22-R26 PolarHBondContact O-N 3.16Å
23	R	92.2	Very high	90	Very high	154 Å²	154	109.4 Å²	109.4	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-63.2	-43.7	177	-166.1	-175.7	-64	173.7	-1.1	111.4	N19 R20 Y21 R26 R27	N19-R23 WeakPolarHBondContact O-CB 3.44Å; N19-R23 PolarHBondContact O-N 3.49Å; R20-R23 WeakPolarHBondContact O-CB 3.27Å; R20-R23 PolarHBondContact O-N 3.49Å; Y21-R23 VanDerWaalsContact C-N 3.29Å; Y21-R23 PolarHBondContact O-N 3.44Å; R23-R26 PolarHBondContact O-N 2.98Å; R23-R27 WeakPolarHBondContact O-CB 3.38Å; R23-R27 VanDerWaalsContact O-CG 3.31Å; R23-R27 WeakPolarHBondContact O-CG 3.43Å; R23-R27 PolarHBondContact O-N 2.89Å
24	I	92.7	Very high	91	Very high	64 Å²	64	111.7 Å²	111.7	33%	0.328	49%	0.488	S	S	.	.	H	α-helix	trans	-60.8	-46.2	175.1	-68.5	166.3	0	0	0	110.8	R20 Y21 R27 R28	R20-I24 HydrophobicContact CG-CD1 4.18Å; R20-I24 WeakPolarHBondContact O-CG1 3.34Å; R20-I24 PolarHBondContact O-N 3.29Å; Y21-I24 PolarHBondContact O-N 2.97Å; Y21-I24 VanDerWaalsContact O-N 3.15Å; I24-R27 PolarHBondContact O-N 3.12Å; I24-R28 HydrophobicContact CG2-CG 4.4Å; I24-R28 WeakPolarHBondContact O-CB 3.41Å; I24-R28 WeakPolarHBondContact O-CG 3.45Å; I24-R28 PolarHBondContact O-N 3.3Å
25	L	91.7	Very high	91.6	Very high	47 Å²	47	112.2 Å²	112.2	25%	0.246	48%	0.483	C	S	.	.	H	α-helix	trans	-63.4	-44.7	178.5	-71	-178.2	0	0	0	112.3	F5 Y21 R22 R28 K29	F5-L25 HydrophobicContact CD2-CD1 4.24Å; Y21-L25 HydrophobicContact CD1-CD1 4.05Å; Y21-L25 HydrophobicContact CE1-CD1 3.51Å; Y21-L25 HydrophobicContact CE1-CG 4.16Å; Y21-L25 HydrophobicContact CE2-CD1 4.38Å; Y21-L25 HydrophobicContact CE2-CD2 4.21Å; Y21-L25 HydrophobicContact CE2-CG 4.16Å; Y21-L25 WeakPolarHBondContact O-CG 3.44Å; Y21-L25 PolarHBondContact O-N 3.25Å; R22-L25 PolarHBondContact O-N 2.88Å; L25-R28 PolarHBondContact O-N 3.45Å; L25-K29 WeakPolarHBondContact O-CB 3.24Å; L25-K29 PolarHBondContact O-N 3.07Å
26	R	93.2	Very high	92.2	Very high	191 Å²	191	112.7 Å²	112.7	72%	0.721	48%	0.48	S	S	*	.	H	α-helix	trans	-58.9	-48.1	174.8	-74.1	178.7	-177.4	-176	0.8	111	R22 R23 R28 K29 E30	R22-R26 WeakPolarHBondContact O-CB 3.38Å; R22-R26 WeakPolarHBondContact O-CG 3.24Å; R22-R26 PolarHBondContact O-N 3.16Å; R23-R26 PolarHBondContact O-N 2.98Å; R26-R28 PolarHBondContact O-N 3.46Å; R26-K29 PolarHBondContact O-N 3.2Å; R26-E30 WeakPolarHBondContact O-CB 3.47Å; R26-E30 PolarHBondContact O-N 3.39Å
27	R	94.8	Very high	92.7	Very high	174 Å²	174	114.9 Å²	114.9	66%	0.657	48%	0.478	S	S	*	.	H	α-helix	trans	-59.6	-43	175.6	-74	178.5	177.9	-176	-1.1	112.4	R23 I24 E30 R31	R23-R27 WeakPolarHBondContact O-CB 3.38Å; R23-R27 VanDerWaalsContact O-CG 3.31Å; R23-R27 WeakPolarHBondContact O-CG 3.43Å; R23-R27 PolarHBondContact O-N 2.89Å; I24-R27 PolarHBondContact O-N 3.12Å; R27-E30 PolarHBondContact O-N 3.1Å; R27-R31 VanDerWaalsContact O-CB 3.28Å; R27-R31 WeakPolarHBondContact O-CB 3.46Å; R27-R31 PolarHBondContact O-N 2.82Å
28	R	95	Very high	93.2	Very high	149 Å²	149	121.8 Å²	121.8	56%	0.562	50%	0.498	S	S	*	.	H	α-helix	trans	-63.5	-43.4	176.3	-76.8	178.6	178.7	-175.6	-0	112	I24 L25 R26 R32	I24-R28 HydrophobicContact CG2-CG 4.4Å; I24-R28 WeakPolarHBondContact O-CB 3.41Å; I24-R28 WeakPolarHBondContact O-CG 3.45Å; I24-R28 PolarHBondContact O-N 3.3Å; L25-R28 PolarHBondContact O-N 3.45Å; R26-R28 PolarHBondContact O-N 3.46Å; R28-R32 WeakPolarHBondContact O-CB 3.46Å; R28-R32 PolarHBondContact O-N 2.92Å
29	K	95.1	Very high	93.9	Very high	129 Å²	129	126.8 Å²	126.8	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-44.2	176.9	-172.9	177.1	-178.1	179	0	111	L25 R26 R32 R33	L25-K29 WeakPolarHBondContact O-CB 3.24Å; L25-K29 PolarHBondContact O-N 3.07Å; R26-K29 PolarHBondContact O-N 3.2Å; K29-R32 PolarHBondContact O-N 2.92Å; K29-R33 WeakPolarHBondContact O-CG 3.48Å; K29-R33 PolarHBondContact O-N 3.43Å
30	E	95.8	Very high	94.3	Very high	80 Å²	80	128.2 Å²	128.2	37%	0.374	52%	0.521	S	S	.	.	H	α-helix	trans	-67.1	-46.4	179.1	-167.8	49.9	-135.6	0	0	111.8	R26 R27 R32 R33 Q34	R26-E30 WeakPolarHBondContact O-CB 3.47Å; R26-E30 PolarHBondContact O-N 3.39Å; R27-E30 PolarHBondContact O-N 3.1Å; E30-R32 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 3.31Å; E30-R33 WeakPolarHBondContact O-CA 3.4Å; E30-R33 WeakPolarHBondContact O-CB 3.5Å; E30-R33 PolarHBondContact O-N 2.97Å; E30-R33 IonicContact OE2-NH1 3.42Å; E30-R33 PolarHBondContact OE2-NH1 2.91Å; E30-Q34 WeakPolarHBondContact O-CG 3.38Å; E30-Q34 PolarHBondContact O-N 3.49Å
31	R	96.1	Very high	94.7	Very high	164 Å²	164	122.7 Å²	122.7	62%	0.619	51%	0.505	S	S	*	.	H	α-helix	trans	-54.8	-42.5	172.6	-173	176.8	66.8	-178.2	3.8	112	R27 R33 Q34 E35	R27-R31 VanDerWaalsContact O-CB 3.28Å; R27-R31 WeakPolarHBondContact O-CB 3.46Å; R27-R31 PolarHBondContact O-N 2.82Å; R31-R33 VanDerWaalsContact C-N 3.34Å; R31-R33 PolarHBondContact O-N 3.27Å; R31-Q34 PolarHBondContact O-N 3.24Å; R31-E35 WeakPolarHBondContact O-CB 3.41Å; R31-E35 PolarHBondContact O-N 2.96Å
32	R	95.3	Very high	95.2	Very high	166 Å²	166	122.9 Å²	122.9	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-65	-35.6	176.4	-171.7	178.2	-175.3	-170.9	0.7	112.3	R28 K29 E30 K36	R28-R32 WeakPolarHBondContact O-CB 3.46Å; R28-R32 PolarHBondContact O-N 2.92Å; K29-R32 PolarHBondContact O-N 2.92Å; E30-R32 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 3.31Å; R32-K36 WeakPolarHBondContact O-CB 3.46Å; R32-K36 VanDerWaalsContact O-CG 3.3Å; R32-K36 WeakPolarHBondContact O-CG 3.42Å; R32-K36 PolarHBondContact O-N 3.48Å; R32-K36 VanDerWaalsContact O-N 3.07Å
33	R	96.3	Very high	95.4	Very high	137 Å²	137	123.1 Å²	123.1	52%	0.517	53%	0.526	S	S	.	.	H	α-helix	trans	-68.1	-48.6	175	-73.9	172.2	172.1	173.8	-9.1	111.2	K29 E30 R31 E35 K36 F37	K29-R33 WeakPolarHBondContact O-CG 3.48Å; K29-R33 PolarHBondContact O-N 3.43Å; E30-R33 WeakPolarHBondContact O-CA 3.4Å; E30-R33 WeakPolarHBondContact O-CB 3.5Å; E30-R33 PolarHBondContact O-N 2.97Å; E30-R33 IonicContact OE2-NH1 3.42Å; E30-R33 PolarHBondContact OE2-NH1 2.91Å; R31-R33 VanDerWaalsContact C-N 3.34Å; R31-R33 PolarHBondContact O-N 3.27Å; R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 PolarHBondContact O-N 3.25Å; R33-K36 WeakPolarHBondContact O-CB 3.47Å; R33-K36 PolarHBondContact O-N 3.48Å; R33-F37 PolarHBondContact O-N 3.43Å
34	Q	96.6	Very high	95.6	Very high	111 Å²	111	122.9 Å²	122.9	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-58.5	-44.8	176.6	-68.4	175.6	-3.9	0	0	111.3	E30 R31 K36 F37 R38	E30-Q34 WeakPolarHBondContact O-CG 3.38Å; E30-Q34 PolarHBondContact O-N 3.49Å; R31-Q34 PolarHBondContact O-N 3.24Å; Q34-K36 PolarHBondContact O-N 3.37Å; Q34-F37 PolarHBondContact O-N 3.08Å; Q34-R38 WeakPolarHBondContact O-CB 3.44Å; Q34-R38 WeakPolarHBondContact O-CG 3.41Å; Q34-R38 PolarHBondContact O-N 2.97Å
35	E	96.6	Very high	95.8	Very high	89 Å²	89	124.6 Å²	124.6	42%	0.416	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-41.4	177.1	-167.2	-168.1	153.4	0	0	112.3	R31 R33 F37 R38 K39	R31-E35 WeakPolarHBondContact O-CB 3.41Å; R31-E35 PolarHBondContact O-N 2.96Å; R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 PolarHBondContact O-N 3.25Å; E35-F37 VanDerWaalsContact C-N 3.34Å; E35-F37 PolarHBondContact O-N 3.42Å; E35-R38 PolarHBondContact O-N 2.92Å; E35-K39 HydrophobicContact CG-CD 4.36Å; E35-K39 WeakPolarHBondContact O-CB 3.19Å; E35-K39 WeakPolarHBondContact O-CG 3.29Å; E35-K39 PolarHBondContact O-N 2.92Å; E35-K39 VanDerWaalsContact OE1-CE 3.31Å; E35-K39 WeakPolarHBondContact OE1-CE 3.48Å; E35-K39 IonicContact OE1-NZ 2.65Å; E35-K39 PolarHBondContact OE1-NZ 2.67Å
36	K	96.7	Very high	95.9	Very high	133 Å²	133	128.4 Å²	128.4	58%	0.578	55%	0.55	S	S	*	.	H	α-helix	trans	-61.1	-42.5	173.3	-80.1	-178.8	177.1	-168.6	0	111.8	R32 R33 Q34 K39 K40	R32-K36 WeakPolarHBondContact O-CB 3.46Å; R32-K36 VanDerWaalsContact O-CG 3.3Å; R32-K36 WeakPolarHBondContact O-CG 3.42Å; R32-K36 PolarHBondContact O-N 3.48Å; R32-K36 VanDerWaalsContact O-N 3.07Å; R33-K36 WeakPolarHBondContact O-CB 3.47Å; R33-K36 PolarHBondContact O-N 3.48Å; Q34-K36 PolarHBondContact O-N 3.37Å; K36-K39 PolarHBondContact O-N 3.45Å; K36-K40 WeakPolarHBondContact O-CB 3.33Å; K36-K40 PolarHBondContact O-N 3.02Å
37	F	97	Very high	96	Very high	130 Å²	130	121.8 Å²	121.8	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-65	-47.1	178.1	-175.7	-106.6	0	0	0	111.4	R33 Q34 E35 K39 K40 I41	R33-F37 PolarHBondContact O-N 3.43Å; Q34-F37 PolarHBondContact O-N 3.08Å; E35-F37 VanDerWaalsContact C-N 3.34Å; E35-F37 PolarHBondContact O-N 3.42Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-K39 PolarHBondContact O-N 2.94Å; F37-K40 WeakPolarHBondContact O-CB 3.35Å; F37-K40 PolarHBondContact O-N 2.95Å; F37-K40 VanDerWaalsContact O-N 3.08Å; F37-I41 HydrophobicContact CD1-CD1 3.82Å; F37-I41 HydrophobicContact CE1-CD1 3.26Å; F37-I41 HydrophobicContact CE1-CG1 4.27Å; F37-I41 HydrophobicContact CE2-CD1 4.32Å; F37-I41 HydrophobicContact CZ-CD1 3.55Å; F37-I41 HydrophobicContact CZ-CG1 4.28Å; F37-I41 PolarHBondContact O-N 3.19Å
38	R	97	Very high	96	Very high	194 Å²	194	121.5 Å²	121.5	73%	0.732	53%	0.527	S	S	*	.	H	α-helix	trans	-54.8	-47.2	172.8	-75.2	-178.1	61.3	-173.9	-1.9	112	Q34 E35 K40 I41 A42	Q34-R38 WeakPolarHBondContact O-CB 3.44Å; Q34-R38 WeakPolarHBondContact O-CG 3.41Å; Q34-R38 PolarHBondContact O-N 2.97Å; E35-R38 PolarHBondContact O-N 2.92Å; R38-K40 VanDerWaalsContact C-N 3.33Å; R38-K40 PolarHBondContact O-N 3.45Å; R38-I41 PolarHBondContact O-N 3.05Å; R38-A42 WeakPolarHBondContact O-CB 3.23Å; R38-A42 PolarHBondContact O-N 3.39Å
39	K	97	Very high	96.1	Very high	129 Å²	129	116.3 Å²	116.3	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-62.2	-37.4	176.6	-76.7	173.3	171	171.5	0	112.4	E35 K36 F37 L43	E35-K39 HydrophobicContact CG-CD 4.36Å; E35-K39 WeakPolarHBondContact O-CB 3.19Å; E35-K39 WeakPolarHBondContact O-CG 3.29Å; E35-K39 PolarHBondContact O-N 2.92Å; E35-K39 VanDerWaalsContact OE1-CE 3.31Å; E35-K39 WeakPolarHBondContact OE1-CE 3.48Å; E35-K39 IonicContact OE1-NZ 2.65Å; E35-K39 PolarHBondContact OE1-NZ 2.67Å; K36-K39 PolarHBondContact O-N 3.45Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-K39 PolarHBondContact O-N 2.94Å; K39-L43 VanDerWaalsContact O-CB 3.27Å; K39-L43 WeakPolarHBondContact O-CB 3.38Å; K39-L43 PolarHBondContact O-N 3.21Å
40	K	96.5	Very high	96.1	Very high	114 Å²	114	112.1 Å²	112.1	50%	0.496	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-44	177	-170.6	179.4	-178.1	-177.8	0	111.8	K36 F37 R38 L43 R44	K36-K40 WeakPolarHBondContact O-CB 3.33Å; K36-K40 PolarHBondContact O-N 3.02Å; F37-K40 WeakPolarHBondContact O-CB 3.35Å; F37-K40 PolarHBondContact O-N 2.95Å; F37-K40 VanDerWaalsContact O-N 3.08Å; R38-K40 VanDerWaalsContact C-N 3.33Å; R38-K40 PolarHBondContact O-N 3.45Å; K40-L43 PolarHBondContact O-N 3.04Å; K40-R44 WeakPolarHBondContact O-CG 3.45Å; K40-R44 PolarHBondContact O-N 3.12Å
41	I	97.2	Very high	96.1	Very high	67 Å²	67	112.7 Å²	112.7	34%	0.344	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-49.8	175.2	-68	175.8	0	0	0	110.3	F37 R38 L43 R44 N45	F37-I41 HydrophobicContact CD1-CD1 3.82Å; F37-I41 HydrophobicContact CE1-CD1 3.26Å; F37-I41 HydrophobicContact CE1-CG1 4.27Å; F37-I41 HydrophobicContact CE2-CD1 4.32Å; F37-I41 HydrophobicContact CZ-CD1 3.55Å; F37-I41 HydrophobicContact CZ-CG1 4.28Å; F37-I41 PolarHBondContact O-N 3.19Å; R38-I41 PolarHBondContact O-N 3.05Å; I41-L43 VanDerWaalsContact C-N 3.27Å; I41-L43 PolarHBondContact O-N 3.35Å; I41-R44 WeakPolarHBondContact O-CB 3.3Å; I41-R44 PolarHBondContact O-N 2.91Å; I41-N45 PolarHBondContact O-N 3.43Å; I41-N45 PolarHBondContact O-OD1 3.47Å
42	A	96.9	Very high	96.1	Very high	61 Å²	61	110.9 Å²	110.9	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-57.4	-41.2	178.5	0	0	0	0	0	112.1	R38 K46	R38-A42 WeakPolarHBondContact O-CB 3.23Å; R38-A42 PolarHBondContact O-N 3.39Å; A42-K46 WeakPolarHBondContact O-CB 3.45Å; A42-K46 PolarHBondContact O-N 2.98Å
43	L	94.7	Very high	96.1	Very high	102 Å²	102	107.8 Å²	107.8	53%	0.534	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-42.3	175.2	-179.9	61.7	0	0	0	112.2	K39 K40 I41 K46 I47	K39-L43 VanDerWaalsContact O-CB 3.27Å; K39-L43 WeakPolarHBondContact O-CB 3.38Å; K39-L43 PolarHBondContact O-N 3.21Å; K40-L43 PolarHBondContact O-N 3.04Å; I41-L43 VanDerWaalsContact C-N 3.27Å; I41-L43 PolarHBondContact O-N 3.35Å; L43-K46 PolarHBondContact O-N 2.88Å; L43-I47 HydrophobicContact CD1-CD1 4.07Å; L43-I47 HydrophobicContact CD1-CG1 4.3Å; L43-I47 HydrophobicContact CG-CD1 3.96Å; L43-I47 WeakPolarHBondContact O-CB 3.46Å; L43-I47 VanDerWaalsContact O-CG1 3.24Å; L43-I47 WeakPolarHBondContact O-CG1 3.38Å; L43-I47 PolarHBondContact O-N 2.98Å
44	R	95.3	Very high	95.9	Very high	149 Å²	149	108.6 Å²	108.6	56%	0.562	51%	0.513	S	S	*	.	H	α-helix	trans	-63	-45.9	176.8	-77.4	175	172	-179.3	-7.8	111.8	K40 I41 K46 I47 R48	K40-R44 WeakPolarHBondContact O-CG 3.45Å; K40-R44 PolarHBondContact O-N 3.12Å; I41-R44 WeakPolarHBondContact O-CB 3.3Å; I41-R44 PolarHBondContact O-N 2.91Å; R44-K46 VanDerWaalsContact C-N 3.33Å; R44-K46 PolarHBondContact O-N 3.19Å; R44-I47 PolarHBondContact O-N 3.42Å; R44-R48 WeakPolarHBondContact O-CB 3.49Å; R44-R48 PolarHBondContact O-N 3.22Å
45	N	96.5	Very high	95.8	Very high	100 Å²	100	111.3 Å²	111.3	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-42	178.2	-67.6	-0.5	0	0	0	111	I41 R48 A49	I41-N45 PolarHBondContact O-N 3.43Å; I41-N45 PolarHBondContact O-OD1 3.47Å; N45-R48 PolarHBondContact O-N 2.9Å; N45-A49 PolarHBondContact O-N 2.65Å
46	K	95.3	Very high	95.6	Very high	128 Å²	128	111.9 Å²	111.9	56%	0.557	52%	0.517	S	S	*	.	H	α-helix	trans	-60.7	-46.5	174	-178.1	174.2	-179.3	170	0	112.2	A42 L43 R44 R48 A49 D50	A42-K46 WeakPolarHBondContact O-CB 3.45Å; A42-K46 PolarHBondContact O-N 2.98Å; L43-K46 PolarHBondContact O-N 2.88Å; R44-K46 VanDerWaalsContact C-N 3.33Å; R44-K46 PolarHBondContact O-N 3.19Å; K46-R48 VanDerWaalsContact C-N 3.31Å; K46-R48 PolarHBondContact O-N 2.86Å; K46-A49 PolarHBondContact O-N 3.2Å; K46-D50 WeakPolarHBondContact O-CB 3.47Å; K46-D50 VanDerWaalsContact O-CG 3.29Å; K46-D50 PolarHBondContact O-N 2.97Å
47	I	94.4	Very high	95.4	Very high	52 Å²	52	109.3 Å²	109.3	27%	0.267	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-43.3	177.9	-72.1	170.1	0	0	0	110.6	L43 R44 D50 I51 Y56	L43-I47 HydrophobicContact CD1-CD1 4.07Å; L43-I47 HydrophobicContact CD1-CG1 4.3Å; L43-I47 HydrophobicContact CG-CD1 3.96Å; L43-I47 WeakPolarHBondContact O-CB 3.46Å; L43-I47 VanDerWaalsContact O-CG1 3.24Å; L43-I47 WeakPolarHBondContact O-CG1 3.38Å; L43-I47 PolarHBondContact O-N 2.98Å; R44-I47 PolarHBondContact O-N 3.42Å; I47-D50 PolarHBondContact O-N 3.07Å; I47-I51 HydrophobicContact CG2-CD1 3.81Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 VanDerWaalsContact O-CG1 3.26Å; I47-I51 WeakPolarHBondContact O-CG1 3.2Å; I47-I51 PolarHBondContact O-N 3.03Å; I47-Y56 HydrophobicContact CB-CD2 4.48Å; I47-Y56 HydrophobicContact CB-CE2 4.32Å; I47-Y56 HydrophobicContact CD1-CE2 4.49Å; I47-Y56 HydrophobicContact CG1-CD2 4.47Å; I47-Y56 HydrophobicContact CG1-CE2 4.01Å; I47-Y56 HydrophobicContact CG2-CD2 3.85Å; I47-Y56 HydrophobicContact CG2-CE2 3.62Å
48	R	95.4	Very high	95.3	Very high	167 Å²	167	105.6 Å²	105.6	63%	0.63	50%	0.498	S	S	*	.	H	α-helix	trans	-60.5	-48.7	177.3	-177.3	177.1	177.8	160.1	5.2	111.6	R44 N45 K46 D50 I51 E52	R44-R48 WeakPolarHBondContact O-CB 3.49Å; R44-R48 PolarHBondContact O-N 3.22Å; N45-R48 PolarHBondContact O-N 2.9Å; K46-R48 VanDerWaalsContact C-N 3.31Å; K46-R48 PolarHBondContact O-N 2.86Å; R48-D50 VanDerWaalsContact C-N 3.35Å; R48-D50 PolarHBondContact O-N 3.49Å; R48-I51 WeakPolarHBondContact O-CB 3.33Å; R48-I51 PolarHBondContact O-N 2.85Å; R48-I51 VanDerWaalsContact O-N 3.13Å; R48-E52 WeakPolarHBondContact CG-OE1 3.41Å; R48-E52 IonicContact CZ-OE1 3.89Å; R48-E52 IonicContact NE-OE1 2.98Å; R48-E52 PolarHBondContact NE-OE1 3.44Å; R48-E52 IonicContact NH2-OE1 3.92Å; R48-E52 WeakPolarHBondContact O-CG 3.36Å; R48-E52 PolarHBondContact O-N 2.89Å
49	A	96.3	Very high	95.1	Very high	41 Å²	41	103.4 Å²	103.4	34%	0.339	49%	0.493	S	S	.	.	H	α-helix	trans	-61.3	-41.5	176.3	0	0	0	0	0	112.2	N45 K46 I51 E52 L53	N45-A49 PolarHBondContact O-N 2.65Å; K46-A49 PolarHBondContact O-N 3.2Å; A49-I51 VanDerWaalsContact C-N 3.29Å; A49-I51 PolarHBondContact O-N 3.14Å; A49-E52 PolarHBondContact O-N 2.93Å; A49-L53 WeakPolarHBondContact O-CB 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.49Å; A49-L53 PolarHBondContact O-N 3.18Å
50	D	95.6	Very high	95	Very high	40 Å²	40	105.9 Å²	105.9	21%	0.214	50%	0.504	C	S	.	.	H	α-helix	trans	-63.9	-34.2	175.8	-71.7	-17.4	0	0	0	111.5	K46 I47 R48 N54 R55 Y56	K46-D50 WeakPolarHBondContact O-CB 3.47Å; K46-D50 VanDerWaalsContact O-CG 3.29Å; K46-D50 PolarHBondContact O-N 2.97Å; I47-D50 PolarHBondContact O-N 3.07Å; R48-D50 VanDerWaalsContact C-N 3.35Å; R48-D50 PolarHBondContact O-N 3.49Å; D50-N54 PolarHBondContact O-N 3.49Å; D50-R55 CarbonylContact O-C 3.57Å; D50-R55 WeakPolarHBondContact O-CA 3.44Å; D50-R55 PolarHBondContact O-N 2.82Å; D50-Y56 HydrophobicContact CB-CD2 4.42Å; D50-Y56 PolarHBondContact O-N 3.32Å
51	I	95	Very high	95	Very high	93 Å²	93	104.9 Å²	104.9	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-69.9	-48.2	175.2	-69.2	166	0	0	0	110.5	I47 R48 A49 L53 N54 Y56	I47-I51 HydrophobicContact CG2-CD1 3.81Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 VanDerWaalsContact O-CG1 3.26Å; I47-I51 WeakPolarHBondContact O-CG1 3.2Å; I47-I51 PolarHBondContact O-N 3.03Å; R48-I51 WeakPolarHBondContact O-CB 3.33Å; R48-I51 PolarHBondContact O-N 2.85Å; R48-I51 VanDerWaalsContact O-N 3.13Å; A49-I51 VanDerWaalsContact C-N 3.29Å; A49-I51 PolarHBondContact O-N 3.14Å; I51-L53 PolarHBondContact O-N 2.87Å; I51-N54 PolarHBondContact O-N 3.33Å; I51-Y56 HydrophobicContact CD1-CG 4.48Å; I51-Y56 HydrophobicContact CG1-CD1 4.26Å; I51-Y56 HydrophobicContact CG1-CD2 4.22Å; I51-Y56 HydrophobicContact CG1-CG 3.75Å
52	E	95.9	Very high	94.9	Very high	125 Å²	125	107.2 Å²	107.2	58%	0.584	50%	0.504	S	S	*	.	H	α-helix	trans	-59.1	-33.9	178.7	-72.3	168	-172.9	0	0	111.8	R48 A49 N54	R48-E52 WeakPolarHBondContact CG-OE1 3.41Å; R48-E52 IonicContact CZ-OE1 3.89Å; R48-E52 IonicContact NE-OE1 2.98Å; R48-E52 PolarHBondContact NE-OE1 3.44Å; R48-E52 IonicContact NH2-OE1 3.92Å; R48-E52 WeakPolarHBondContact O-CG 3.36Å; R48-E52 PolarHBondContact O-N 2.89Å; A49-E52 PolarHBondContact O-N 2.93Å; E52-N54 VanDerWaalsContact C-N 3.35Å
53	L	95.9	Very high	94.8	Very high	101 Å²	101	111 Å²	111	53%	0.529	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	5.2	175.5	-64.2	174.1	0	0	0	114.3	A49 I51 R55	A49-L53 WeakPolarHBondContact O-CB 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.49Å; A49-L53 PolarHBondContact O-N 3.18Å; I51-L53 PolarHBondContact O-N 2.87Å; L53-R55 HydrophobicContact CB-CG 4.25Å; L53-R55 WeakPolarHBondContact O-CG 3.44Å; L53-R55 PolarHBondContact O-N 2.94Å
54	N	92.9	Very high	94.8	Very high	154 Å²	154	112.8 Å²	112.8	82%	0.824	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	32.2	-174.1	-69.6	-53.7	0	0	0	114.5	D50 I51 E52	D50-N54 PolarHBondContact O-N 3.49Å; I51-N54 PolarHBondContact O-N 3.33Å; E52-N54 VanDerWaalsContact C-N 3.35Å
55	R	93.1	Very high	94.9	Very high	168 Å²	168	109.7 Å²	109.7	63%	0.634	51%	0.505	S	S	*	.			trans	-109.4	0.2	179.4	-68.4	170.9	-171.7	-179.2	0.6	113.2	D50 L53 H57	D50-R55 CarbonylContact O-C 3.57Å; D50-R55 WeakPolarHBondContact O-CA 3.44Å; D50-R55 PolarHBondContact O-N 2.82Å; L53-R55 HydrophobicContact CB-CG 4.25Å; L53-R55 WeakPolarHBondContact O-CG 3.44Å; L53-R55 PolarHBondContact O-N 2.94Å; R55-H57 PolarHBondContact O-N 2.75Å
56	Y	94	Very high	94.9	Very high	101 Å²	101	106.2 Å²	106.2	40%	0.396	49%	0.487	S	S	.	.			trans	-70	120.7	-177.8	178.2	-97.6	0	0	0	111.5	I47 D50 I51	I47-Y56 HydrophobicContact CB-CD2 4.48Å; I47-Y56 HydrophobicContact CB-CE2 4.32Å; I47-Y56 HydrophobicContact CD1-CE2 4.49Å; I47-Y56 HydrophobicContact CG1-CD2 4.47Å; I47-Y56 HydrophobicContact CG1-CE2 4.01Å; I47-Y56 HydrophobicContact CG2-CD2 3.85Å; I47-Y56 HydrophobicContact CG2-CE2 3.62Å; D50-Y56 HydrophobicContact CB-CD2 4.42Å; D50-Y56 PolarHBondContact O-N 3.32Å; I51-Y56 HydrophobicContact CD1-CG 4.48Å; I51-Y56 HydrophobicContact CG1-CD1 4.26Å; I51-Y56 HydrophobicContact CG1-CD2 4.22Å; I51-Y56 HydrophobicContact CG1-CG 3.75Å
57	H	92.7	Very high	94.9	Very high	80 Å²	80	102.5 Å²	102.5	37%	0.37	48%	0.477	S	S	.	.			trans	-118.3	133.5	170.3	-66.7	-56.4	0	0	0	111.6	R55 F61 R62	R55-H57 PolarHBondContact O-N 2.75Å; H57-F61 HydrophobicContact CB-CB 4.25Å; H57-F61 HydrophobicContact CB-CD1 3.46Å; H57-F61 VanDerWaalsContact CB-CD1 3.46Å; H57-F61 HydrophobicContact CB-CE1 4.08Å; H57-F61 HydrophobicContact CB-CG 4.08Å; H57-F61 AromaticContact CD2-CE1 3.82Å; H57-F61 AromaticContact CE1-CE1 3.63Å; H57-F61 AromaticContact CE1-CZ 3.81Å; H57-F61 AromaticContact CG-CD1 3.41Å; H57-F61 VanDerWaalsContact CG-CD1 3.41Å; H57-F61 AromaticContact CG-CE1 3.5Å; H57-F61 VanDerWaalsContact CG-CE1 3.5Å; H57-F61 AromaticContact ND1-CD1 3.51Å; H57-F61 AromaticContact ND1-CE1 3.37Å; H57-F61 WeakPolarHBondContact ND1-CE1 3.43Å; H57-F61 AromaticContact ND1-CG 4Å; H57-F61 AromaticContact ND1-CZ 3.77Å; H57-F61 AromaticContact NE2-CE1 3.89Å; H57-R62 HydrophobicContact CB-CG 3.85Å; H57-R62 PolarHBondContact O-NE 2.91Å
58	S	93.3	Very high	95	Very high	52 Å²	52	103.9 Å²	103.9	36%	0.364	49%	0.485	S	S	.	.			trans	-56.9	156.3	175.5	77.9	0	0	0	0	111.2	K60 F61 R62	S58-K60 PolarHBondContact O-N 3.11Å; S58-F61 PolarHBondContact O-N 2.83Å; S58-F61 WeakPolarHBondContact OG-CB 3.46Å; S58-F61 PolarHBondContact OG-N 2.95Å; S58-R62 PolarHBondContact O-N 3.12Å
59	K	93.1	Very high	95.1	Very high	148 Å²	148	98.8 Å²	98.8	64%	0.643	47%	0.466	S	S	*	.	H	α-helix	trans	-58	-36.4	175.5	-174	-178.9	180	-176.9	0	111.6	K63	K59-K63 WeakPolarHBondContact O-CG 3.43Å; K59-K63 PolarHBondContact O-N 2.91Å; K59-K63 VanDerWaalsContact O-N 3.12Å
60	K	96.1	Very high	95.2	Very high	180 Å²	180	97 Å²	97	78%	0.783	45%	0.451	S	S	*	.	H	α-helix	trans	-64.8	-45.5	177.1	-173.2	177.8	179.7	-179.6	0	110.8	S58 K63 K64	S58-K60 PolarHBondContact O-N 3.11Å; K60-K63 PolarHBondContact O-N 3.24Å; K60-K64 PolarHBondContact O-N 2.99Å
61	F	95.9	Very high	95.3	Very high	93 Å²	93	98 Å²	98	41%	0.408	45%	0.454	S	S	.	.	H	α-helix	trans	-58.1	-54	176.3	-177.8	-83.4	0	0	0	111.5	H57 S58 K63 K64 E65	H57-F61 HydrophobicContact CB-CB 4.25Å; H57-F61 HydrophobicContact CB-CD1 3.46Å; H57-F61 VanDerWaalsContact CB-CD1 3.46Å; H57-F61 HydrophobicContact CB-CE1 4.08Å; H57-F61 HydrophobicContact CB-CG 4.08Å; H57-F61 AromaticContact CD2-CE1 3.82Å; H57-F61 AromaticContact CE1-CE1 3.63Å; H57-F61 AromaticContact CE1-CZ 3.81Å; H57-F61 AromaticContact CG-CD1 3.41Å; H57-F61 VanDerWaalsContact CG-CD1 3.41Å; H57-F61 AromaticContact CG-CE1 3.5Å; H57-F61 VanDerWaalsContact CG-CE1 3.5Å; H57-F61 AromaticContact ND1-CD1 3.51Å; H57-F61 AromaticContact ND1-CE1 3.37Å; H57-F61 WeakPolarHBondContact ND1-CE1 3.43Å; H57-F61 AromaticContact ND1-CG 4Å; H57-F61 AromaticContact ND1-CZ 3.77Å; H57-F61 AromaticContact NE2-CE1 3.89Å; S58-F61 PolarHBondContact O-N 2.83Å; S58-F61 WeakPolarHBondContact OG-CB 3.46Å; S58-F61 PolarHBondContact OG-N 2.95Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 2.88Å; F61-K64 WeakPolarHBondContact O-CA 3.39Å; F61-K64 WeakPolarHBondContact O-CB 3.39Å; F61-K64 PolarHBondContact O-N 3.15Å; F61-E65 HydrophobicContact CE1-CB 4.46Å; F61-E65 PolarHBondContact O-N 3.4Å
62	R	93.9	Very high	95.4	Very high	116 Å²	116	98 Å²	98	44%	0.438	45%	0.454	S	S	.	.	H	α-helix	trans	-59.4	-37.5	-179.4	-70.7	-177.5	-73.3	-170.5	-6.3	113.1	H57 S58 V66	H57-R62 HydrophobicContact CB-CG 3.85Å; H57-R62 PolarHBondContact O-NE 2.91Å; S58-R62 PolarHBondContact O-N 3.12Å; R62-V66 VanDerWaalsContact O-CG2 3.24Å; R62-V66 WeakPolarHBondContact O-CG2 3.23Å; R62-V66 PolarHBondContact O-N 3.35Å; R62-V66 VanDerWaalsContact O-N 3.07Å
63	K	94.8	Very high	95.5	Very high	140 Å²	140	92.5 Å²	92.5	61%	0.609	43%	0.43	S	S	*	.	H	α-helix	trans	-64.1	-43.7	174.3	-80.2	-173.3	171.2	-165.8	0	111.8	K59 K60 F61 S67	K59-K63 WeakPolarHBondContact O-CG 3.43Å; K59-K63 PolarHBondContact O-N 2.91Å; K59-K63 VanDerWaalsContact O-N 3.12Å; K60-K63 PolarHBondContact O-N 3.24Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 2.88Å; K63-S67 WeakPolarHBondContact O-CB 3.16Å; K63-S67 PolarHBondContact O-N 3.04Å
64	K	96.2	Very high	95.5	Very high	141 Å²	141	89.2 Å²	89.2	61%	0.613	41%	0.413	S	S	*	.	H	α-helix	trans	-64.1	-45.5	177.6	-173.1	177.3	-179.9	-178.1	0	110.9	K60 F61 V66 S67 N68	K60-K64 PolarHBondContact O-N 2.99Å; F61-K64 WeakPolarHBondContact O-CA 3.39Å; F61-K64 WeakPolarHBondContact O-CB 3.39Å; F61-K64 PolarHBondContact O-N 3.15Å; K64-V66 PolarHBondContact O-N 3.22Å; K64-S67 WeakPolarHBondContact O-CB 3.41Å; K64-S67 PolarHBondContact O-N 2.9Å; K64-S67 VanDerWaalsContact O-N 3.16Å; K64-N68 WeakPolarHBondContact O-CB 3.37Å; K64-N68 VanDerWaalsContact O-CG 3.24Å; K64-N68 PolarHBondContact O-N 3.42Å; K64-N68 PolarHBondContact O-OD1 2.9Å
65	E	95.8	Very high	95.7	Very high	84 Å²	84	87.6 Å²	87.6	39%	0.393	40%	0.4	S	S	.	.	H	α-helix	trans	-57.5	-48.4	177.1	-169.8	-151.8	121.1	0	0	111.9	F61 S67 N68 R69	F61-E65 HydrophobicContact CE1-CB 4.46Å; F61-E65 PolarHBondContact O-N 3.4Å; E65-S67 PolarHBondContact O-N 3.27Å; E65-N68 PolarHBondContact O-N 3Å; E65-R69 WeakPolarHBondContact O-CB 3.43Å; E65-R69 PolarHBondContact O-N 3.36Å; E65-R69 IonicContact OE1-NH1 3.27Å; E65-R69 PolarHBondContact OE1-NH1 2.83Å
66	V	96.5	Very high	95.8	Very high	27 Å²	27	87 Å²	87	16%	0.164	40%	0.404	C	S	.	.	H	α-helix	trans	-61	-43.4	175.1	170.8	0	0	0	0	111.7	R62 K64 R69 L70 K110	R62-V66 VanDerWaalsContact O-CG2 3.24Å; R62-V66 WeakPolarHBondContact O-CG2 3.23Å; R62-V66 PolarHBondContact O-N 3.35Å; R62-V66 VanDerWaalsContact O-N 3.07Å; K64-V66 PolarHBondContact O-N 3.22Å; V66-R69 PolarHBondContact O-N 3.07Å; V66-L70 HydrophobicContact CG1-CD1 4.14Å; V66-L70 WeakPolarHBondContact O-CG 3.41Å; V66-L70 PolarHBondContact O-N 3.27Å; V66-K110 HydrophobicContact CG1-CD 4.07Å; V66-K110 HydrophobicContact CG1-CG 3.35Å
67	S	96.4	Very high	96	Very high	50 Å²	50	83 Å²	83	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-62.9	-42.1	177.8	-172.5	0	0	0	0	111.9	K63 K64 E65 L70 Q71	K63-S67 WeakPolarHBondContact O-CB 3.16Å; K63-S67 PolarHBondContact O-N 3.04Å; K64-S67 WeakPolarHBondContact O-CB 3.41Å; K64-S67 PolarHBondContact O-N 2.9Å; K64-S67 VanDerWaalsContact O-N 3.16Å; E65-S67 PolarHBondContact O-N 3.27Å; S67-L70 PolarHBondContact O-N 2.86Å; S67-Q71 WeakPolarHBondContact O-CB 3.32Å; S67-Q71 PolarHBondContact O-N 3.45Å
68	N	96.8	Very high	96.2	Very high	81 Å²	81	85.5 Å²	85.5	43%	0.433	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-46	177.6	-71.8	0.9	0	0	0	110.7	K64 E65 L70 Q71 I72	K64-N68 WeakPolarHBondContact O-CB 3.37Å; K64-N68 VanDerWaalsContact O-CG 3.24Å; K64-N68 PolarHBondContact O-N 3.42Å; K64-N68 PolarHBondContact O-OD1 2.9Å; E65-N68 PolarHBondContact O-N 3Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-L70 PolarHBondContact O-N 3.25Å; N68-Q71 WeakPolarHBondContact O-CB 3.31Å; N68-Q71 PolarHBondContact O-N 3.38Å; N68-Q71 VanDerWaalsContact O-N 3.1Å; N68-I72 WeakPolarHBondContact O-CG1 3.45Å; N68-I72 PolarHBondContact O-N 2.98Å
69	R	97.3	Very high	96.4	Very high	59 Å²	59	89.9 Å²	89.9	22%	0.223	42%	0.417	C	S	.	.	H	α-helix	trans	-59.6	-42.6	178.3	-172.1	174.3	59	-106.4	2.7	112.1	E65 V66 A73 K110 A112 T113 P115	E65-R69 WeakPolarHBondContact O-CB 3.43Å; E65-R69 PolarHBondContact O-N 3.36Å; E65-R69 IonicContact OE1-NH1 3.27Å; E65-R69 PolarHBondContact OE1-NH1 2.83Å; V66-R69 PolarHBondContact O-N 3.07Å; R69-A73 VanDerWaalsContact O-CB 3.29Å; R69-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 PolarHBondContact O-N 3.49Å; R69-K110 PolarHBondContact NH2-O 2.94Å; R69-A112 PolarHBondContact NE-O 2.96Å; R69-A112 VanDerWaalsContact NE-O 3.12Å; R69-T113 WeakPolarHBondContact CD-O 3.28Å; R69-P115 HydrophobicContact CG-CG 3.82Å
70	L	97.9	Very high	96.6	Very high	5 Å²	5	85.1 Å²	85.1	3%	0.026	40%	0.399	C	S	.	.	H	α-helix	trans	-66	-37.6	174.6	-74.4	169.6	0	0	0	112.5	V66 S67 N68 A73 L74 K110 P115 K144	V66-L70 HydrophobicContact CG1-CD1 4.14Å; V66-L70 WeakPolarHBondContact O-CG 3.41Å; V66-L70 PolarHBondContact O-N 3.27Å; S67-L70 PolarHBondContact O-N 2.86Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-L70 PolarHBondContact O-N 3.25Å; L70-A73 PolarHBondContact O-N 3.15Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 PolarHBondContact O-N 2.85Å; L70-K110 HydrophobicContact CD1-CB 4.32Å; L70-K110 HydrophobicContact CD1-CG 4.07Å; L70-P115 HydrophobicContact CD2-CB 3.81Å; L70-P115 HydrophobicContact CD2-CG 4.12Å; L70-K144 HydrophobicContact CB-CB 3.93Å; L70-K144 HydrophobicContact CB-CG 4.02Å
71	Q	97.3	Very high	96.7	Very high	61 Å²	61	83.1 Å²	83.1	29%	0.285	39%	0.387	S	S	.	.	H	α-helix	trans	-66.7	-40.7	177.8	-174	63.6	59	0	0	112.3	S67 N68 L74 H75	S67-Q71 WeakPolarHBondContact O-CB 3.32Å; S67-Q71 PolarHBondContact O-N 3.45Å; N68-Q71 WeakPolarHBondContact O-CB 3.31Å; N68-Q71 PolarHBondContact O-N 3.38Å; N68-Q71 VanDerWaalsContact O-N 3.1Å; Q71-L74 WeakPolarHBondContact O-CB 3.49Å; Q71-L74 PolarHBondContact O-N 3.19Å; Q71-H75 PolarHBondContact NE2-NE2 3.46Å; Q71-H75 VanDerWaalsContact NE2-NE2 3.2Å; Q71-H75 PolarHBondContact O-CD2 2.86Å; Q71-H75 VanDerWaalsContact O-CD2 3.25Å
72	I	97.6	Very high	96.8	Very high	93 Å²	93	80.5 Å²	80.5	48%	0.477	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-48.7	173.9	-66.2	164.8	0	0	0	109.4	N68 L74 H75 E76	N68-I72 WeakPolarHBondContact O-CG1 3.45Å; N68-I72 PolarHBondContact O-N 2.98Å; I72-L74 PolarHBondContact O-N 3.35Å; I72-H75 PolarHBondContact O-N 2.88Å; I72-E76 HydrophobicContact CG2-CB 4.49Å; I72-E76 PolarHBondContact O-N 3.21Å
73	A	97.8	Very high	97	Very high	8 Å²	8	78.5 Å²	78.5	7%	0.066	38%	0.375	C	S	.	.	H	α-helix	trans	-59.5	-31	178.9	0	0	0	0	0	113.4	R69 L70 H75 G77 P115 S117	R69-A73 VanDerWaalsContact O-CB 3.29Å; R69-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 PolarHBondContact O-N 3.49Å; L70-A73 PolarHBondContact O-N 3.15Å; A73-H75 PolarHBondContact O-N 3.36Å; A73-G77 WeakPolarHBondContact O-CA 3.29Å; A73-G77 PolarHBondContact O-N 2.98Å; A73-P115 HydrophobicContact CB-CB 3.77Å; A73-P115 HydrophobicContact CB-CG 4.39Å; A73-P115 WeakPolarHBondContact CB-O 3.19Å; A73-S117 VanDerWaalsContact O-CB 3.23Å; A73-S117 WeakPolarHBondContact O-CB 3.23Å
74	L	96.9	Very high	97.1	Very high	33 Å²	33	71.9 Å²	71.9	17%	0.173	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-29	175.3	-173.9	63.2	0	0	0	112.7	L70 Q71 I72 S117	L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 PolarHBondContact O-N 2.85Å; Q71-L74 WeakPolarHBondContact O-CB 3.49Å; Q71-L74 PolarHBondContact O-N 3.19Å; I72-L74 PolarHBondContact O-N 3.35Å; L74-S117 PolarHBondContact O-OG 3.3Å; L74-S117 VanDerWaalsContact O-OG 3.05Å
75	H	96.1	Very high	97.2	Very high	119 Å²	119	68 Å²	68	55%	0.551	34%	0.337	S	S	*	.	H	α-helix	trans	-98.2	-42.1	-178.7	-67.1	-63.1	0	0	0	112.5	Q71 I72 A73 R79	Q71-H75 PolarHBondContact NE2-NE2 3.46Å; Q71-H75 VanDerWaalsContact NE2-NE2 3.2Å; Q71-H75 PolarHBondContact O-CD2 2.86Å; Q71-H75 VanDerWaalsContact O-CD2 3.25Å; I72-H75 PolarHBondContact O-N 2.88Å; A73-H75 PolarHBondContact O-N 3.36Å; H75-R79 PolarHBondContact O-NH2 2.87Å
76	E	96.4	Very high	97.2	Very high	156 Å²	156	70.7 Å²	70.7	73%	0.729	34%	0.344	S	S	*	.	H	α-helix	trans	-113.3	-9.4	-168.1	-63.2	171.4	-153	0	0	113.7	I72	I72-E76 HydrophobicContact CG2-CB 4.49Å; I72-E76 PolarHBondContact O-N 3.21Å
77	G	96.2	Very high	97.2	Very high	18 Å²	18	70.8 Å²	70.8	19%	0.186	34%	0.343	C	S	.	.	S	Bend	trans	-75.4	165.7	-175.9	0	0	0	0	0	113.5	A73 R79	A73-G77 WeakPolarHBondContact O-CA 3.29Å; A73-G77 PolarHBondContact O-N 2.98Å; G77-R79 PolarHBondContact O-N 3.41Å
78	I	97.8	Very high	97.3	Very high	132 Å²	132	73.2 Å²	73.2	68%	0.677	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-59.2	124.1	169.5	-62.7	171.4	0	0	0	108.2	L116 S117	I78-L116 HydrophobicContact CB-CD2 3.89Å; I78-L116 HydrophobicContact CG2-CD2 4.24Å; I78-S117 PolarHBondContact O-N 3.43Å
79	R	97.6	Very high	97.3	Very high	143 Å²	143	76.1 Å²	76.1	54%	0.54	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130	-175.4	-61.4	-175	-179.3	99.3	7.4	110.8	H75 G77 Y81	H75-R79 PolarHBondContact O-NH2 2.87Å; G77-R79 PolarHBondContact O-N 3.41Å; R79-Y81 HydrophobicContact CB-CE2 3.97Å; R79-Y81 WeakPolarHBondContact CD-OH 3.34Å
80	I	97.7	Very high	97.3	Very high	49 Å²	49	76 Å²	76	25%	0.251	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143	164.8	67.2	170.3	0	0	0	108.9	L105 L116 S117 I118 N119	I80-L105 HydrophobicContact CD1-CD1 4.43Å; I80-L105 HydrophobicContact CD1-CD2 4.23Å; I80-L116 HydrophobicContact CD1-CD1 4.03Å; I80-L116 HydrophobicContact CG2-CD1 3.97Å; I80-S117 PolarHBondContact N-O 3.15Å; I80-I118 HydrophobicContact CD1-CG1 4.06Å; I80-I118 HydrophobicContact CG1-CB 4.48Å; I80-I118 HydrophobicContact CG1-CG1 4.25Å; I80-N119 WeakPolarHBondContact O-CB 3.29Å; I80-N119 PolarHBondContact O-N 2.95Å; I80-N119 PolarHBondContact O-ND2 2.82Å
81	Y	98.1	Very high	97.3	Very high	137 Å²	137	78 Å²	78	54%	0.537	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127	179.2	-60.9	-84.9	0	0	0	108.7	R79 N119 V121 L148	R79-Y81 HydrophobicContact CB-CE2 3.97Å; R79-Y81 WeakPolarHBondContact CD-OH 3.34Å; Y81-N119 CarbonylContact C-O 3.49Å; Y81-N119 WeakPolarHBondContact CA-O 3.42Å; Y81-N119 HydrophobicContact CD1-CB 3.6Å; Y81-N119 HydrophobicContact CE1-CB 3.87Å; Y81-N119 HydrophobicContact CG-CB 4.46Å; Y81-V121 HydrophobicContact CD1-CG2 3.69Å; Y81-V121 HydrophobicContact CG-CG2 4.3Å; Y81-L148 HydrophobicContact CD1-CD1 4Å; Y81-L148 HydrophobicContact CE1-CD1 3.6Å
82	I	97.8	Very high	97.4	Very high	39 Å²	39	80 Å²	80	20%	0.2	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106	174.5	-56.8	176.6	0	0	0	106.2	C84 F98 L102 L105 I118 N119 L120 V121	I82-C84 PolarHBondContact O-N 3.16Å; I82-C84 PolarHBondContact O-SG 2.87Å; I82-F98 HydrophobicContact CG2-CE2 3.9Å; I82-F98 HydrophobicContact CG2-CZ 4.22Å; I82-L102 HydrophobicContact CD1-CD1 4.21Å; I82-L105 HydrophobicContact CD1-CD2 3.51Å; I82-I118 HydrophobicContact CD1-CG2 4.13Å; I82-N119 PolarHBondContact N-O 3.24Å; I82-L120 HydrophobicContact CB-CD2 3.82Å; I82-L120 HydrophobicContact CD1-CD2 3.8Å; I82-L120 HydrophobicContact CG1-CD2 4.24Å; I82-L120 HydrophobicContact CG2-CD2 4.3Å; I82-V121 PolarHBondContact O-N 3.38Å
83	D	97.6	Very high	97.4	Very high	74 Å²	74	82.9 Å²	82.9	40%	0.396	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121.3	177.2	-176.4	17.4	0	0	0	110.5	S85 N122	D83-S85 WeakPolarHBondContact OD1-CB 3.13Å; D83-S85 PolarHBondContact OD1-N 2.91Å; D83-S85 PolarHBondContact OD1-OG 2.92Å; D83-S85 VanDerWaalsContact OD1-OG 3.09Å; D83-S85 PolarHBondContact OD2-OG 2.85Å; D83-N122 PolarHBondContact OD1-ND2 3.45Å
84	C	98	Very high	97.4	Very high	1 Å²	1	87.3 Å²	87.3	1%	0.007	45%	0.445	C	S	.	.			trans	-105.6	11.2	-179.3	-55.2	0	0	0	0	112.4	I82 Y86 E87 V121 F123 L129	I82-C84 PolarHBondContact O-N 3.16Å; I82-C84 PolarHBondContact O-SG 2.87Å; C84-Y86 PolarHBondContact O-N 2.95Å; C84-Y86 VanDerWaalsContact O-N 3.09Å; C84-E87 WeakPolarHBondContact O-CB 3.43Å; C84-E87 PolarHBondContact O-N 3.49Å; C84-E87 VanDerWaalsContact O-N 3.1Å; C84-V121 VanDerWaalsContact CB-O 3.28Å; C84-V121 WeakPolarHBondContact CB-O 3.34Å; C84-V121 PolarHBondContact N-O 3.27Å; C84-F123 HydrophobicContact CB-CB 4.2Å; C84-F123 HydrophobicContact CB-CD2 4.15Å; C84-L129 HydrophobicContact CB-CD1 3.96Å
85	S	97	Very high	97.5	Very high	58 Å²	58	86 Å²	86	41%	0.406	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-56.5	-24.6	179.1	62.5	0	0	0	0	114.1	D83 E87	D83-S85 WeakPolarHBondContact OD1-CB 3.13Å; D83-S85 PolarHBondContact OD1-N 2.91Å; D83-S85 PolarHBondContact OD1-OG 2.92Å; D83-S85 VanDerWaalsContact OD1-OG 3.09Å; D83-S85 PolarHBondContact OD2-OG 2.85Å; S85-E87 VanDerWaalsContact C-N 3.27Å; S85-E87 PolarHBondContact O-N 2.91Å
86	Y	96.3	Very high	97.5	Very high	142 Å²	142	82.6 Å²	82.6	56%	0.557	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-81.2	4.5	180	-57.3	-81.7	0	0	0	114.4	C84 A88 L89	C84-Y86 PolarHBondContact O-N 2.95Å; C84-Y86 VanDerWaalsContact O-N 3.09Å; Y86-A88 PolarHBondContact O-N 3.44Å; Y86-L89 HydrophobicContact CD1-CD1 4.2Å; Y86-L89 PolarHBondContact O-N 3.37Å
87	E	97.5	Very high	97.6	Very high	29 Å²	29	80.3 Å²	80.3	14%	0.136	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-49.8	-42.8	-179	174.3	172.2	85.4	0	0	112.9	C84 S85 L89 M90 G127 P128 L129	C84-E87 WeakPolarHBondContact O-CB 3.43Å; C84-E87 PolarHBondContact O-N 3.49Å; C84-E87 VanDerWaalsContact O-N 3.1Å; S85-E87 VanDerWaalsContact C-N 3.27Å; S85-E87 PolarHBondContact O-N 2.91Å; E87-L89 PolarHBondContact O-N 2.9Å; E87-M90 PolarHBondContact O-N 2.93Å; E87-M90 VanDerWaalsContact O-N 3.09Å; E87-G127 WeakPolarHBondContact OE1-CA 3.43Å; E87-P128 VanDerWaalsContact CD-CD 3.47Å; E87-P128 HydrophobicContact CG-CB 4.41Å; E87-P128 HydrophobicContact CG-CG 4.34Å; E87-P128 WeakPolarHBondContact OE1-CD 2.93Å; E87-L129 HydrophobicContact CB-CD1 3.95Å; E87-L129 HydrophobicContact CB-CG 4.17Å; E87-L129 HydrophobicContact CG-CD1 4.25Å; E87-L129 HydrophobicContact CG-CG 3.91Å; E87-L129 WeakPolarHBondContact OE2-CA 3.46Å; E87-L129 WeakPolarHBondContact OE2-CB 3.4Å; E87-L129 VanDerWaalsContact OE2-CG 3.24Å; E87-L129 WeakPolarHBondContact OE2-CG 3.42Å; E87-L129 PolarHBondContact OE2-N 3.35Å
88	A	96.7	Very high	97.7	Very high	100 Å²	100	80.6 Å²	80.6	83%	0.826	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-65.3	-20.5	-178.4	0	0	0	0	0	114.1	Y86	Y86-A88 PolarHBondContact O-N 3.44Å
89	L	97.4	Very high	97.7	Very high	143 Å²	143	74.3 Å²	74.3	75%	0.749	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-92.5	-8.5	178.3	-56.8	-178.9	0	0	0	112.5	Y86 E87	Y86-L89 HydrophobicContact CD1-CD1 4.2Å; Y86-L89 PolarHBondContact O-N 3.37Å; E87-L89 PolarHBondContact O-N 2.9Å
90	M	98	Very high	97.7	Very high	56 Å²	56	70.8 Å²	70.8	28%	0.276	37%	0.365	S	S	.	.			trans	-86.5	130.5	-176.8	-64.4	-168.8	-166.4	0	0	111.6	E87 E94 C95 L129	E87-M90 PolarHBondContact O-N 2.93Å; E87-M90 VanDerWaalsContact O-N 3.09Å; M90-E94 HydrophobicContact CB-CB 3.97Å; M90-E94 HydrophobicContact CG-CB 4.29Å; M90-C95 VanDerWaalsContact CB-SG 3.6Å; M90-L129 HydrophobicContact SD-CD2 3.88Å
91	S	98	Very high	97.7	Very high	47 Å²	47	74.7 Å²	74.7	33%	0.329	38%	0.382	S	S	.	.			trans	-65.3	160.1	164.3	67.8	0	0	0	0	111	K93 E94 C95	S91-K93 PolarHBondContact O-N 3.28Å; S91-E94 WeakPolarHBondContact CB-OE2 3.46Å; S91-E94 PolarHBondContact N-OE2 3.3Å; S91-E94 WeakPolarHBondContact O-CA 3.42Å; S91-E94 PolarHBondContact O-N 2.91Å; S91-E94 WeakPolarHBondContact OG-CG 3.31Å; S91-E94 PolarHBondContact OG-N 3.49Å; S91-E94 PolarHBondContact OG-OE2 2.86Å; S91-C95 PolarHBondContact O-N 3.38Å; S91-C95 PolarHBondContact O-SG 3.2Å
92	P	97.8	Very high	97.7	Very high	104 Å²	104	68.4 Å²	68.4	68%	0.675	36%	0.358	S	S	*	.	H	α-helix	trans	-54.8	-29.7	174.1	-27.8	35.3	0	0	0	113.9	N96	P92-N96 PolarHBondContact O-N 3.37Å; P92-N96 PolarHBondContact O-ND2 2.95Å
93	K	98.1	Very high	97.7	Very high	153 Å²	153	68.6 Å²	68.6	67%	0.665	36%	0.362	S	S	*	.	H	α-helix	trans	-69.9	-40.2	176	-174.7	-179.6	177.4	-174.9	0	111.2	S91 N96 K97	S91-K93 PolarHBondContact O-N 3.28Å; K93-N96 WeakPolarHBondContact O-CB 3.44Å; K93-N96 PolarHBondContact O-N 3.12Å; K93-K97 WeakPolarHBondContact O-CG 3.42Å; K93-K97 PolarHBondContact O-N 3.13Å
94	E	98.4	Very high	97.7	Very high	101 Å²	101	74 Å²	74	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-69.6	-41.5	177.4	-73.3	158.2	141.1	0	0	111.5	M90 S91 N96 K97 F98	M90-E94 HydrophobicContact CB-CB 3.97Å; M90-E94 HydrophobicContact CG-CB 4.29Å; S91-E94 WeakPolarHBondContact CB-OE2 3.46Å; S91-E94 PolarHBondContact N-OE2 3.3Å; S91-E94 WeakPolarHBondContact O-CA 3.42Å; S91-E94 PolarHBondContact O-N 2.91Å; S91-E94 WeakPolarHBondContact OG-CG 3.31Å; S91-E94 PolarHBondContact OG-N 3.49Å; S91-E94 PolarHBondContact OG-OE2 2.86Å; E94-N96 VanDerWaalsContact C-N 3.25Å; E94-N96 PolarHBondContact O-N 3.22Å; E94-K97 CarbonylContact O-C 3.58Å; E94-K97 WeakPolarHBondContact O-CA 3.35Å; E94-K97 WeakPolarHBondContact O-CB 3.47Å; E94-K97 PolarHBondContact O-N 2.84Å; E94-F98 PolarHBondContact O-N 3.46Å
95	C	98.2	Very high	97.7	Very high	4 Å²	4	76.7 Å²	76.7	3%	0.027	39%	0.391	C	S	.	.	H	α-helix	trans	-55.8	-42.3	171.5	-61.3	0	0	0	0	111.7	M90 S91 K97 F98 A99 L129 A132	M90-C95 VanDerWaalsContact CB-SG 3.6Å; S91-C95 PolarHBondContact O-N 3.38Å; S91-C95 PolarHBondContact O-SG 3.2Å; C95-K97 VanDerWaalsContact C-N 3.32Å; C95-K97 PolarHBondContact O-N 3.2Å; C95-F98 PolarHBondContact O-N 3.16Å; C95-A99 PolarHBondContact O-N 3.26Å; C95-L129 HydrophobicContact CB-CD2 3.88Å; C95-A132 HydrophobicContact CB-CB 3.99Å
96	N	97.8	Very high	97.7	Very high	49 Å²	49	74.5 Å²	74.5	26%	0.262	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-30.7	174.9	-79.3	-54.9	0	0	0	113.5	P92 K93 E94 Q100 K136	P92-N96 PolarHBondContact O-N 3.37Å; P92-N96 PolarHBondContact O-ND2 2.95Å; K93-N96 WeakPolarHBondContact O-CB 3.44Å; K93-N96 PolarHBondContact O-N 3.12Å; E94-N96 VanDerWaalsContact C-N 3.25Å; E94-N96 PolarHBondContact O-N 3.22Å; N96-Q100 WeakPolarHBondContact O-CG 3.48Å; N96-Q100 PolarHBondContact O-N 2.88Å; N96-Q100 PolarHBondContact O-NE2 2.77Å; N96-K136 WeakPolarHBondContact OD1-CE 3.21Å
97	K	98.2	Very high	97.8	Very high	108 Å²	108	69.1 Å²	69.1	47%	0.47	36%	0.362	S	S	.	.	H	α-helix	trans	-75	-42.3	175.9	-71.2	-67.8	-179	-180	0	111.2	K93 E94 C95 A99 Q100 Q101	K93-K97 WeakPolarHBondContact O-CG 3.42Å; K93-K97 PolarHBondContact O-N 3.13Å; E94-K97 CarbonylContact O-C 3.58Å; E94-K97 WeakPolarHBondContact O-CA 3.35Å; E94-K97 WeakPolarHBondContact O-CB 3.47Å; E94-K97 PolarHBondContact O-N 2.84Å; C95-K97 VanDerWaalsContact C-N 3.32Å; C95-K97 PolarHBondContact O-N 3.2Å; K97-A99 PolarHBondContact O-N 3.23Å; K97-Q100 WeakPolarHBondContact O-CB 3.34Å; K97-Q100 PolarHBondContact O-N 3.5Å; K97-Q101 WeakPolarHBondContact O-CG 3.31Å; K97-Q101 PolarHBondContact O-N 2.86Å
98	F	98.2	Very high	97.8	Very high	23 Å²	23	70.7 Å²	70.7	10%	0.101	38%	0.38	C	S	.	.	H	α-helix	trans	-54	-52.3	170.2	173.9	-87.7	0	0	0	110.8	I82 E94 C95 Q100 Q101 L102 F123 L129	I82-F98 HydrophobicContact CG2-CE2 3.9Å; I82-F98 HydrophobicContact CG2-CZ 4.22Å; E94-F98 PolarHBondContact O-N 3.46Å; C95-F98 PolarHBondContact O-N 3.16Å; F98-Q100 VanDerWaalsContact C-N 3.28Å; F98-Q100 PolarHBondContact O-N 2.98Å; F98-Q101 WeakPolarHBondContact O-CA 3.35Å; F98-Q101 WeakPolarHBondContact O-CB 3.46Å; F98-Q101 PolarHBondContact O-N 3.36Å; F98-L102 HydrophobicContact CE1-CB 4.47Å; F98-L102 HydrophobicContact CE1-CD2 4.11Å; F98-L102 PolarHBondContact O-N 2.98Å; F98-F123 HydrophobicContact CE1-CE2 4.18Å; F98-L129 HydrophobicContact CB-CD2 3.96Å; F98-L129 HydrophobicContact CD1-CB 4.46Å; F98-L129 HydrophobicContact CD1-CD1 4.3Å; F98-L129 HydrophobicContact CD1-CD2 3.63Å; F98-L129 HydrophobicContact CD1-CG 4.36Å; F98-L129 HydrophobicContact CE1-CB 4.44Å; F98-L129 HydrophobicContact CE1-CD1 4.18Å; F98-L129 HydrophobicContact CE1-CD2 4.28Å; F98-L129 HydrophobicContact CG-CD2 3.81Å; F98-L129 HydrophobicContact CZ-CD1 4.32Å
99	A	98	Very high	97.8	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-56.9	-40.9	179.4	0	0	0	0	0	112.4	C95 K97 L102 C103 A132 K136 C137	C95-A99 PolarHBondContact O-N 3.26Å; K97-A99 PolarHBondContact O-N 3.23Å; A99-L102 PolarHBondContact O-N 3.23Å; A99-C103 WeakPolarHBondContact O-CB 3.41Å; A99-C103 PolarHBondContact O-N 3.42Å; A99-A132 HydrophobicContact CB-CB 4.05Å; A99-K136 HydrophobicContact CB-CB 4.01Å; A99-K136 HydrophobicContact CB-CG 4.26Å; A99-C137 PolarHBondContact O-SG 2.92Å
100	Q	97.9	Very high	97.7	Very high	70 Å²	70	64.3 Å²	64.3	33%	0.327	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-39.9	174.7	-75.8	166.9	65.7	0	0	112.9	N96 K97 F98 C103 R104	N96-Q100 WeakPolarHBondContact O-CG 3.48Å; N96-Q100 PolarHBondContact O-N 2.88Å; N96-Q100 PolarHBondContact O-NE2 2.77Å; K97-Q100 WeakPolarHBondContact O-CB 3.34Å; K97-Q100 PolarHBondContact O-N 3.5Å; F98-Q100 VanDerWaalsContact C-N 3.28Å; F98-Q100 PolarHBondContact O-N 2.98Å; Q100-C103 PolarHBondContact O-N 3.08Å; Q100-R104 VanDerWaalsContact O-CG 3.3Å; Q100-R104 WeakPolarHBondContact O-CG 3.3Å; Q100-R104 PolarHBondContact O-N 3.47Å; Q100-R104 VanDerWaalsContact O-N 3.08Å
101	Q	97.7	Very high	97.7	Very high	130 Å²	130	70.3 Å²	70.3	61%	0.607	35%	0.352	S	S	*	.	H	α-helix	trans	-64.6	-46.1	175.8	-70.5	170.8	-6.7	0	0	110.7	K97 F98 C103 R104 L105	K97-Q101 WeakPolarHBondContact O-CG 3.31Å; K97-Q101 PolarHBondContact O-N 2.86Å; F98-Q101 WeakPolarHBondContact O-CA 3.35Å; F98-Q101 WeakPolarHBondContact O-CB 3.46Å; F98-Q101 PolarHBondContact O-N 3.36Å; Q101-C103 VanDerWaalsContact C-N 3.34Å; Q101-C103 PolarHBondContact O-N 3.42Å; Q101-R104 PolarHBondContact O-N 2.97Å; Q101-R104 VanDerWaalsContact O-N 3.15Å; Q101-L105 WeakPolarHBondContact O-CB 3.33Å; Q101-L105 PolarHBondContact O-N 3.25Å
102	L	97.7	Very high	97.6	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-41.8	175.8	-176.2	60.4	0	0	0	111.8	I82 F98 A99 R104 L105 Y106 L120 F140	I82-L102 HydrophobicContact CD1-CD1 4.21Å; F98-L102 HydrophobicContact CE1-CB 4.47Å; F98-L102 HydrophobicContact CE1-CD2 4.11Å; F98-L102 PolarHBondContact O-N 2.98Å; A99-L102 PolarHBondContact O-N 3.23Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.15Å; L102-L105 HydrophobicContact CD1-CD2 4.37Å; L102-L105 PolarHBondContact O-N 2.83Å; L102-Y106 WeakPolarHBondContact O-CB 3.32Å; L102-Y106 PolarHBondContact O-N 3.44Å; L102-L120 HydrophobicContact CD1-CD2 4.07Å; L102-L120 HydrophobicContact CD2-CD1 4.04Å; L102-F140 HydrophobicContact CD2-CE2 3.79Å; L102-F140 HydrophobicContact CD2-CZ 4.45Å
103	C	97.3	Very high	97.5	Very high	43 Å²	43	71 Å²	71	29%	0.291	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-42.9	175	-170.1	0	0	0	0	112.2	A99 Q100 Q101 G107 C137	A99-C103 WeakPolarHBondContact O-CB 3.41Å; A99-C103 PolarHBondContact O-N 3.42Å; Q100-C103 PolarHBondContact O-N 3.08Å; Q101-C103 VanDerWaalsContact C-N 3.34Å; Q101-C103 PolarHBondContact O-N 3.42Å; C103-G107 PolarHBondContact O-N 2.96Å; C103-C137 HydrophobicContact CB-CB 4.45Å; C103-C137 VanDerWaalsContact CB-SG 3.6Å
104	R	97.5	Very high	97.5	Very high	189 Å²	189	72.4 Å²	72.4	71%	0.713	36%	0.362	S	S	*	.	H	α-helix	trans	-68.5	-44.5	178.6	-71.6	173.6	-173.7	-160.1	2.8	111.2	Q100 Q101 L102 G107 A108	Q100-R104 VanDerWaalsContact O-CG 3.3Å; Q100-R104 WeakPolarHBondContact O-CG 3.3Å; Q100-R104 PolarHBondContact O-N 3.47Å; Q100-R104 VanDerWaalsContact O-N 3.08Å; Q101-R104 PolarHBondContact O-N 2.97Å; Q101-R104 VanDerWaalsContact O-N 3.15Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.15Å; R104-G107 PolarHBondContact O-N 3.07Å; R104-A108 WeakPolarHBondContact O-CB 3.48Å; R104-A108 PolarHBondContact O-N 3.16Å
105	L	97.6	Very high	97.4	Very high	56 Å²	56	68.1 Å²	68.1	29%	0.293	34%	0.343	S	S	.	.	H	α-helix	trans	-56.5	-54.4	175.5	173.4	63.9	0	0	0	110.7	I80 I82 Q101 L102 G107 A108 N109 I118	I80-L105 HydrophobicContact CD1-CD1 4.43Å; I80-L105 HydrophobicContact CD1-CD2 4.23Å; I82-L105 HydrophobicContact CD1-CD2 3.51Å; Q101-L105 WeakPolarHBondContact O-CB 3.33Å; Q101-L105 PolarHBondContact O-N 3.25Å; L102-L105 HydrophobicContact CD1-CD2 4.37Å; L102-L105 PolarHBondContact O-N 2.83Å; L105-G107 VanDerWaalsContact C-N 3.29Å; L105-G107 PolarHBondContact O-N 3.13Å; L105-A108 PolarHBondContact O-N 2.83Å; L105-A108 VanDerWaalsContact O-N 3.16Å; L105-N109 WeakPolarHBondContact O-CB 3.49Å; L105-N109 PolarHBondContact O-N 3.44Å; L105-I118 HydrophobicContact CD2-CD1 4.18Å; L105-I118 HydrophobicContact CD2-CG2 4.44Å; L105-I118 HydrophobicContact CG-CD1 3.99Å
106	Y	97.7	Very high	97.4	Very high	13 Å²	13	70.7 Å²	70.7	5%	0.051	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-39.7	179.5	-172	-101	0	0	0	111.8	L102 A108 N109 K110 I118 Y143 K144 V145	L102-Y106 WeakPolarHBondContact O-CB 3.32Å; L102-Y106 PolarHBondContact O-N 3.44Å; Y106-A108 PolarHBondContact O-N 3.43Å; Y106-N109 PolarHBondContact O-N 2.88Å; Y106-K110 VanDerWaalsContact O-CB 3.27Å; Y106-K110 WeakPolarHBondContact O-CB 3.45Å; Y106-K110 PolarHBondContact O-N 3.25Å; Y106-I118 HydrophobicContact CD2-CD1 4.31Å; Y106-Y143 AromaticContact CD1-CD1 3.78Å; Y106-Y143 HydrophobicContact CD1-CD1 3.78Å; Y106-Y143 AromaticContact CD1-CD2 3.64Å; Y106-Y143 HydrophobicContact CD1-CD2 3.64Å; Y106-Y143 AromaticContact CD1-CE1 3.58Å; Y106-Y143 HydrophobicContact CD1-CE1 3.58Å; Y106-Y143 AromaticContact CD1-CE2 3.44Å; Y106-Y143 HydrophobicContact CD1-CE2 3.44Å; Y106-Y143 VanDerWaalsContact CD1-CE2 3.44Å; Y106-Y143 AromaticContact CD1-CG 3.8Å; Y106-Y143 HydrophobicContact CD1-CG 3.8Å; Y106-Y143 AromaticContact CD1-CZ 3.39Å; Y106-Y143 AromaticContact CD2-CD2 3.68Å; Y106-Y143 HydrophobicContact CD2-CD2 3.68Å; Y106-Y143 HydrophobicContact CD2-CE2 4.16Å; Y106-Y143 HydrophobicContact CD2-CG 4.01Å; Y106-Y143 AromaticContact CE1-CD1 3.46Å; Y106-Y143 HydrophobicContact CE1-CD1 3.46Å; Y106-Y143 VanDerWaalsContact CE1-CD1 3.46Å; Y106-Y143 HydrophobicContact CE1-CD2 4Å; Y106-Y143 AromaticContact CE1-CE1 3.61Å; Y106-Y143 HydrophobicContact CE1-CE1 3.61Å; Y106-Y143 HydrophobicContact CE1-CE2 4.15Å; Y106-Y143 AromaticContact CE1-CG 3.65Å; Y106-Y143 HydrophobicContact CE1-CG 3.65Å; Y106-Y143 AromaticContact CE1-CZ 3.95Å; Y106-Y143 HydrophobicContact CE2-CD2 4.08Å; Y106-Y143 AromaticContact CE2-CG 3.91Å; Y106-Y143 HydrophobicContact CE2-CG 3.91Å; Y106-Y143 HydrophobicContact CG-CD1 4.41Å; Y106-Y143 AromaticContact CG-CD2 3.45Å; Y106-Y143 HydrophobicContact CG-CD2 3.45Å; Y106-Y143 VanDerWaalsContact CG-CD2 3.45Å; Y106-Y143 HydrophobicContact CG-CE1 4.39Å; Y106-Y143 AromaticContact CG-CE2 3.43Å; Y106-Y143 HydrophobicContact CG-CE2 3.43Å; Y106-Y143 VanDerWaalsContact CG-CE2 3.43Å; Y106-Y143 AromaticContact CG-CG 3.96Å; Y106-Y143 HydrophobicContact CG-CG 3.96Å; Y106-Y143 AromaticContact CG-CZ 3.92Å; Y106-Y143 AromaticContact CZ-CD1 3.88Å; Y106-Y143 AromaticContact CZ-CG 3.71Å; Y106-Y143 WeakPolarHBondContact OH-CA 3.49Å; Y106-K144 PolarHBondContact OH-N 3.2Å; Y106-V145 HydrophobicContact CD2-CG1 4.03Å; Y106-V145 HydrophobicContact CE2-CG1 4.17Å
107	G	97.2	Very high	97.5	Very high	29 Å²	29	68.3 Å²	68.3	30%	0.299	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-37.7	175.4	0	0	0	0	0	113.9	C103 R104 L105 K111	C103-G107 PolarHBondContact O-N 2.96Å; R104-G107 PolarHBondContact O-N 3.07Å; L105-G107 VanDerWaalsContact C-N 3.29Å; L105-G107 PolarHBondContact O-N 3.13Å; G107-K111 WeakPolarHBondContact O-CG 3.3Å
108	A	97.5	Very high	97.5	Very high	62 Å²	62	63.2 Å²	63.2	51%	0.512	32%	0.321	S	S	.	.	H	α-helix	trans	-69.4	-46.3	172.7	0	0	0	0	0	110.9	R104 L105 Y106 K110 K111 A112	R104-A108 WeakPolarHBondContact O-CB 3.48Å; R104-A108 PolarHBondContact O-N 3.16Å; L105-A108 PolarHBondContact O-N 2.83Å; L105-A108 VanDerWaalsContact O-N 3.16Å; Y106-A108 PolarHBondContact O-N 3.43Å; A108-K110 VanDerWaalsContact C-N 3.29Å; A108-K110 PolarHBondContact O-N 3.35Å; A108-K111 PolarHBondContact O-N 3.29Å; A108-A112 PolarHBondContact O-N 3.44Å; A108-A112 VanDerWaalsContact O-N 3.11Å
109	N	97.4	Very high	97.5	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-41.4	179.2	-159	37.2	0	0	0	112	L105 Y106 K111 A112 P115 L116 I118	L105-N109 WeakPolarHBondContact O-CB 3.49Å; L105-N109 PolarHBondContact O-N 3.44Å; Y106-N109 PolarHBondContact O-N 2.88Å; N109-K111 PolarHBondContact O-N 2.96Å; N109-A112 WeakPolarHBondContact O-CB 3.24Å; N109-A112 PolarHBondContact O-N 3.43Å; N109-A112 VanDerWaalsContact O-N 3.12Å; N109-P115 VanDerWaalsContact OD1-CA 3.23Å; N109-P115 WeakPolarHBondContact OD1-CA 3.41Å; N109-P115 WeakPolarHBondContact OD1-CB 3.47Å; N109-L116 PolarHBondContact ND2-O 3.18Å; N109-L116 PolarHBondContact OD1-N 2.92Å; N109-I118 HydrophobicContact CB-CD1 3.96Å; N109-I118 WeakPolarHBondContact ND2-CD1 3.11Å
110	K	96.6	Very high	97.4	Very high	100 Å²	100	62.5 Å²	62.5	44%	0.435	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-30.6	175.5	-172.2	170.9	-176.6	169.8	0	113.7	V66 R69 L70 Y106 A108	V66-K110 HydrophobicContact CG1-CD 4.07Å; V66-K110 HydrophobicContact CG1-CG 3.35Å; R69-K110 PolarHBondContact NH2-O 2.94Å; L70-K110 HydrophobicContact CD1-CB 4.32Å; L70-K110 HydrophobicContact CD1-CG 4.07Å; Y106-K110 VanDerWaalsContact O-CB 3.27Å; Y106-K110 WeakPolarHBondContact O-CB 3.45Å; Y106-K110 PolarHBondContact O-N 3.25Å; A108-K110 VanDerWaalsContact C-N 3.29Å; A108-K110 PolarHBondContact O-N 3.35Å
111	K	96.6	Very high	97.4	Very high	181 Å²	181	60.8 Å²	60.8	79%	0.787	31%	0.313	S	S	*	.	H	α-helix	trans	-88.5	-16.1	178.8	-67.6	174.5	-175.3	175.7	0	113	G107 A108 N109	G107-K111 WeakPolarHBondContact O-CG 3.3Å; A108-K111 PolarHBondContact O-N 3.29Å; N109-K111 PolarHBondContact O-N 2.96Å
112	A	96.6	Very high	97.4	Very high	32 Å²	32	59.1 Å²	59.1	26%	0.264	31%	0.308	S	S	.	.			trans	-64.7	143.1	179.3	0	0	0	0	0	111.1	R69 A108 N109 K114	R69-A112 PolarHBondContact NE-O 2.96Å; R69-A112 VanDerWaalsContact NE-O 3.12Å; A108-A112 PolarHBondContact O-N 3.44Å; A108-A112 VanDerWaalsContact O-N 3.11Å; N109-A112 WeakPolarHBondContact O-CB 3.24Å; N109-A112 PolarHBondContact O-N 3.43Å; N109-A112 VanDerWaalsContact O-N 3.12Å; A112-K114 VanDerWaalsContact C-N 3.3Å
113	T	95.8	Very high	97.4	Very high	133 Å²	133	59.6 Å²	59.6	82%	0.816	31%	0.31	S	S	*	.	S	Bend	trans	-67.8	-33.3	172	50.1	0	0	0	0	111.3	R69	R69-T113 WeakPolarHBondContact CD-O 3.28Å
114	K	96.6	Very high	97.4	Very high	184 Å²	184	59.9 Å²	59.9	80%	0.8	31%	0.312	S	S	*	.	S	Bend	trans	-125.4	89.9	171.4	-64.6	-176.5	179	-176.9	0	109.2	A112	A112-K114 VanDerWaalsContact C-N 3.3Å
115	P	98.2	Very high	97.2	Very high	10 Å²	10	55.9 Å²	55.9	7%	0.065	30%	0.302	C	S	.	.			trans	-64.1	153.2	177.7	-20.8	33.6	0	0	0	112.2	R69 L70 A73 N109	R69-P115 HydrophobicContact CG-CG 3.82Å; L70-P115 HydrophobicContact CD2-CB 3.81Å; L70-P115 HydrophobicContact CD2-CG 4.12Å; A73-P115 HydrophobicContact CB-CB 3.77Å; A73-P115 HydrophobicContact CB-CG 4.39Å; A73-P115 WeakPolarHBondContact CB-O 3.19Å; N109-P115 VanDerWaalsContact OD1-CA 3.23Å; N109-P115 WeakPolarHBondContact OD1-CA 3.41Å; N109-P115 WeakPolarHBondContact OD1-CB 3.47Å
116	L	98.2	Very high	97.1	Very high	58 Å²	58	61 Å²	61	30%	0.304	32%	0.324	S	S	.	.			trans	-82.6	154.1	171.8	-55.6	175	0	0	0	110.7	I78 I80 N109 I118	I78-L116 HydrophobicContact CB-CD2 3.89Å; I78-L116 HydrophobicContact CG2-CD2 4.24Å; I80-L116 HydrophobicContact CD1-CD1 4.03Å; I80-L116 HydrophobicContact CG2-CD1 3.97Å; N109-L116 PolarHBondContact ND2-O 3.18Å; N109-L116 PolarHBondContact OD1-N 2.92Å; L116-I118 PolarHBondContact O-N 3.34Å
117	S	98.1	Very high	97	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	105.9	163.1	-176.7	0	0	0	0	108.6	A73 L74 I78 I80 N119	A73-S117 VanDerWaalsContact O-CB 3.23Å; A73-S117 WeakPolarHBondContact O-CB 3.23Å; L74-S117 PolarHBondContact O-OG 3.3Å; L74-S117 VanDerWaalsContact O-OG 3.05Å; I78-S117 PolarHBondContact O-N 3.43Å; I80-S117 PolarHBondContact N-O 3.15Å; S117-N119 PolarHBondContact O-ND2 3.19Å; S117-N119 VanDerWaalsContact O-ND2 3.15Å
118	I	98.2	Very high	97	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120	178	-56.8	176	0	0	0	108.7	I80 I82 L105 Y106 N109 L116 L120 V145 S146	I80-I118 HydrophobicContact CD1-CG1 4.06Å; I80-I118 HydrophobicContact CG1-CB 4.48Å; I80-I118 HydrophobicContact CG1-CG1 4.25Å; I82-I118 HydrophobicContact CD1-CG2 4.13Å; L105-I118 HydrophobicContact CD2-CD1 4.18Å; L105-I118 HydrophobicContact CD2-CG2 4.44Å; L105-I118 HydrophobicContact CG-CD1 3.99Å; Y106-I118 HydrophobicContact CD2-CD1 4.31Å; N109-I118 HydrophobicContact CB-CD1 3.96Å; N109-I118 WeakPolarHBondContact ND2-CD1 3.11Å; L116-I118 PolarHBondContact O-N 3.34Å; I118-L120 HydrophobicContact CG2-CD2 4.36Å; I118-V145 HydrophobicContact CB-CG1 3.99Å; I118-V145 HydrophobicContact CG2-CG1 4Å; I118-V145 WeakPolarHBondContact O-CA 3.18Å; I118-S146 PolarHBondContact O-N 2.98Å
119	N	98.1	Very high	97.1	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.5	177.1	-48.9	-84.6	0	0	0	109.4	I80 Y81 I82 S117 S146 L148	I80-N119 WeakPolarHBondContact O-CB 3.29Å; I80-N119 PolarHBondContact O-N 2.95Å; I80-N119 PolarHBondContact O-ND2 2.82Å; Y81-N119 CarbonylContact C-O 3.49Å; Y81-N119 WeakPolarHBondContact CA-O 3.42Å; Y81-N119 HydrophobicContact CD1-CB 3.6Å; Y81-N119 HydrophobicContact CE1-CB 3.87Å; Y81-N119 HydrophobicContact CG-CB 4.46Å; I82-N119 PolarHBondContact N-O 3.24Å; S117-N119 PolarHBondContact O-ND2 3.19Å; S117-N119 VanDerWaalsContact O-ND2 3.15Å; N119-S146 CarbonylContact C-O 3.51Å; N119-S146 WeakPolarHBondContact CA-O 3.47Å; N119-S146 WeakPolarHBondContact OD1-CB 3.5Å; N119-L148 HydrophobicContact CB-CD1 4Å
120	L	97.9	Very high	97.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.4	174.5	-54.9	-178	0	0	0	107.8	I82 L102 I118 F123 V145 S146 F147 L148	I82-L120 HydrophobicContact CB-CD2 3.82Å; I82-L120 HydrophobicContact CD1-CD2 3.8Å; I82-L120 HydrophobicContact CG1-CD2 4.24Å; I82-L120 HydrophobicContact CG2-CD2 4.3Å; L102-L120 HydrophobicContact CD1-CD2 4.07Å; L102-L120 HydrophobicContact CD2-CD1 4.04Å; I118-L120 HydrophobicContact CG2-CD2 4.36Å; L120-F123 HydrophobicContact CB-CB 3.78Å; L120-F123 HydrophobicContact CB-CD2 4.37Å; L120-F123 HydrophobicContact CB-CG 4.07Å; L120-F123 HydrophobicContact CD1-CD1 4.34Å; L120-F123 HydrophobicContact CD1-CD2 4.05Å; L120-F123 HydrophobicContact CD1-CE1 4.43Å; L120-F123 HydrophobicContact CD1-CE2 4.17Å; L120-F123 HydrophobicContact CD1-CG 4.13Å; L120-F123 HydrophobicContact CD1-CZ 4.35Å; L120-V145 HydrophobicContact CD1-CG2 4.46Å; L120-S146 PolarHBondContact N-O 3.18Å; L120-F147 HydrophobicContact CB-CD1 4.22Å; L120-F147 HydrophobicContact CD1-CD1 4.14Å; L120-F147 HydrophobicContact CD1-CE1 3.76Å; L120-F147 WeakPolarHBondContact O-CA 3.22Å; L120-L148 PolarHBondContact O-N 3.3Å
121	V	97.9	Very high	97.1	Very high	34 Å²	34	61 Å²	61	21%	0.206	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.7	-178.4	-172.1	0	0	0	0	109	Y81 I82 C84 F123 L148	Y81-V121 HydrophobicContact CD1-CG2 3.69Å; Y81-V121 HydrophobicContact CG-CG2 4.3Å; I82-V121 PolarHBondContact O-N 3.38Å; C84-V121 VanDerWaalsContact CB-O 3.28Å; C84-V121 WeakPolarHBondContact CB-O 3.34Å; C84-V121 PolarHBondContact N-O 3.27Å; V121-F123 PolarHBondContact O-N 3.44Å; V121-L148 CarbonylContact C-O 3.6Å; V121-L148 VanDerWaalsContact CA-O 3.31Å; V121-L148 WeakPolarHBondContact CA-O 3.36Å; V121-L148 HydrophobicContact CG2-CB 4.24Å; V121-L148 HydrophobicContact CG2-CD1 4.37Å
122	N	97.5	Very high	97.2	Very high	94 Å²	94	52.8 Å²	52.8	50%	0.503	28%	0.279	S	S	.	.	S	Bend	trans	59.1	29.3	-178.3	-58	-49.9	0	0	0	112.7	D83 L148	D83-N122 PolarHBondContact OD1-ND2 3.45Å; N122-L148 PolarHBondContact N-O 3.18Å
123	F	97.3	Very high	97.2	Very high	16 Å²	16	51.2 Å²	51.2	7%	0.07	27%	0.267	C	S	.	.			trans	-93.1	107.1	-176.8	-173.5	-93.4	0	0	0	111	C84 F98 L120 V121 Q125 L129 F130 F140 F147	C84-F123 HydrophobicContact CB-CB 4.2Å; C84-F123 HydrophobicContact CB-CD2 4.15Å; F98-F123 HydrophobicContact CE1-CE2 4.18Å; L120-F123 HydrophobicContact CB-CB 3.78Å; L120-F123 HydrophobicContact CB-CD2 4.37Å; L120-F123 HydrophobicContact CB-CG 4.07Å; L120-F123 HydrophobicContact CD1-CD1 4.34Å; L120-F123 HydrophobicContact CD1-CD2 4.05Å; L120-F123 HydrophobicContact CD1-CE1 4.43Å; L120-F123 HydrophobicContact CD1-CE2 4.17Å; L120-F123 HydrophobicContact CD1-CG 4.13Å; L120-F123 HydrophobicContact CD1-CZ 4.35Å; V121-F123 PolarHBondContact O-N 3.44Å; F123-Q125 PolarHBondContact O-N 3.43Å; F123-L129 HydrophobicContact CD2-CB 4.35Å; F123-L129 HydrophobicContact CE2-CB 3.74Å; F123-L129 HydrophobicContact CZ-CB 4.46Å; F123-F130 HydrophobicContact CE1-CB 4.09Å; F123-F130 AromaticContact CE1-CD2 3.95Å; F123-F130 HydrophobicContact CE1-CD2 3.95Å; F123-F130 HydrophobicContact CZ-CB 4.12Å; F123-F140 HydrophobicContact CE1-CE1 4.26Å; F123-F140 HydrophobicContact CE1-CZ 4.01Å; F123-F140 HydrophobicContact CZ-CE1 4.15Å; F123-F140 AromaticContact CZ-CZ 3.75Å; F123-F140 HydrophobicContact CZ-CZ 3.75Å; F123-F147 HydrophobicContact CB-CD1 4.33Å; F123-F147 AromaticContact CD1-CD1 3.47Å; F123-F147 HydrophobicContact CD1-CD1 3.47Å; F123-F147 VanDerWaalsContact CD1-CD1 3.47Å; F123-F147 AromaticContact CD1-CE1 3.49Å; F123-F147 HydrophobicContact CD1-CE1 3.49Å; F123-F147 VanDerWaalsContact CD1-CE1 3.49Å; F123-F147 HydrophobicContact CE1-CD1 4.07Å; F123-F147 AromaticContact CE1-CE1 3.58Å; F123-F147 HydrophobicContact CE1-CE1 3.58Å; F123-F147 HydrophobicContact CG-CD1 4.17Å; F123-F147 HydrophobicContact CG-CE1 4.39Å
124	S	96.2	Very high	97.3	Very high	49 Å²	49	49.7 Å²	49.7	34%	0.343	25%	0.25	S	S	.	.			trans	-75.5	123.8	-179.9	179.1	0	0	0	0	112	H126 G127 F130	S124-H126 PolarHBondContact O-N 2.98Å; S124-H126 VanDerWaalsContact O-N 3.15Å; S124-H126 PolarHBondContact OG-N 2.92Å; S124-G127 PolarHBondContact O-N 3.06Å; S124-G127 VanDerWaalsContact O-N 3.16Å; S124-G127 PolarHBondContact OG-N 2.91Å; S124-F130 VanDerWaalsContact O-CB 3.23Å; S124-F130 WeakPolarHBondContact O-CB 3.48Å
125	Q	94.6	Very high	97.3	Very high	105 Å²	105	45.2 Å²	45.2	49%	0.491	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.7	173.6	-65.9	-172.3	-13.5	0	0	113.8	F123 F130	F123-Q125 PolarHBondContact O-N 3.43Å; Q125-F130 HydrophobicContact CB-CD2 4.32Å; Q125-F130 HydrophobicContact CB-CE2 4.46Å; Q125-F130 WeakPolarHBondContact O-CD1 3.36Å; Q125-F130 VanDerWaalsContact O-CG 3.29Å; Q125-F130 WeakPolarHBondContact O-CG 3.4Å
126	H	95.1	Very high	97.1	Very high	163 Å²	163	49.7 Å²	49.7	76%	0.755	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	7.3	176.4	-54.6	-61.3	0	0	0	112	S124	S124-H126 PolarHBondContact O-N 2.98Å; S124-H126 VanDerWaalsContact O-N 3.15Å; S124-H126 PolarHBondContact OG-N 2.92Å
127	G	96.2	Very high	96.9	Very high	3 Å²	3	47 Å²	47	3%	0.031	25%	0.247	C	C	.	.	S	Bend	trans	-89.1	165.2	-174.4	0	0	0	0	0	114.5	E87 S124 L129 F130 H131	E87-G127 WeakPolarHBondContact OE1-CA 3.43Å; S124-G127 PolarHBondContact O-N 3.06Å; S124-G127 VanDerWaalsContact O-N 3.16Å; S124-G127 PolarHBondContact OG-N 2.91Å; G127-L129 PolarHBondContact O-N 3.1Å; G127-F130 PolarHBondContact O-N 3.09Å; G127-F130 VanDerWaalsContact O-N 3.12Å; G127-H131 PolarHBondContact O-CD2 3.01Å; G127-H131 VanDerWaalsContact O-CD2 3.28Å; G127-H131 PolarHBondContact O-N 3.09Å
128	P	97.4	Very high	96.6	Very high	74 Å²	74	54.7 Å²	54.7	48%	0.481	29%	0.287	S	S	.	.	H	α-helix	trans	-50.9	-36.2	173.2	-30	35	0	0	0	115	E87 A132	E87-P128 VanDerWaalsContact CD-CD 3.47Å; E87-P128 HydrophobicContact CG-CB 4.41Å; E87-P128 HydrophobicContact CG-CG 4.34Å; E87-P128 WeakPolarHBondContact OE1-CD 2.93Å; P128-A132 WeakPolarHBondContact O-CB 3.37Å; P128-A132 PolarHBondContact O-N 2.82Å
129	L	97.9	Very high	96.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69	-40.4	177.9	-66.7	-178.7	0	0	0	111.8	C84 E87 M90 C95 F98 F123 G127 A132 C133	C84-L129 HydrophobicContact CB-CD1 3.96Å; E87-L129 HydrophobicContact CB-CD1 3.95Å; E87-L129 HydrophobicContact CB-CG 4.17Å; E87-L129 HydrophobicContact CG-CD1 4.25Å; E87-L129 HydrophobicContact CG-CG 3.91Å; E87-L129 WeakPolarHBondContact OE2-CA 3.46Å; E87-L129 WeakPolarHBondContact OE2-CB 3.4Å; E87-L129 VanDerWaalsContact OE2-CG 3.24Å; E87-L129 WeakPolarHBondContact OE2-CG 3.42Å; E87-L129 PolarHBondContact OE2-N 3.35Å; M90-L129 HydrophobicContact SD-CD2 3.88Å; C95-L129 HydrophobicContact CB-CD2 3.88Å; F98-L129 HydrophobicContact CB-CD2 3.96Å; F98-L129 HydrophobicContact CD1-CB 4.46Å; F98-L129 HydrophobicContact CD1-CD1 4.3Å; F98-L129 HydrophobicContact CD1-CD2 3.63Å; F98-L129 HydrophobicContact CD1-CG 4.36Å; F98-L129 HydrophobicContact CE1-CB 4.44Å; F98-L129 HydrophobicContact CE1-CD1 4.18Å; F98-L129 HydrophobicContact CE1-CD2 4.28Å; F98-L129 HydrophobicContact CG-CD2 3.81Å; F98-L129 HydrophobicContact CZ-CD1 4.32Å; F123-L129 HydrophobicContact CD2-CB 4.35Å; F123-L129 HydrophobicContact CE2-CB 3.74Å; F123-L129 HydrophobicContact CZ-CB 4.46Å; G127-L129 PolarHBondContact O-N 3.1Å; L129-A132 PolarHBondContact O-N 3.41Å; L129-C133 WeakPolarHBondContact O-CB 3.36Å; L129-C133 PolarHBondContact O-N 2.89Å; L129-C133 PolarHBondContact O-SG 3.41Å
130	F	97.6	Very high	96.4	Very high	30 Å²	30	56.1 Å²	56.1	13%	0.132	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-48.2	175.6	177.3	-88	0	0	0	111.1	F123 S124 Q125 G127 A132 C133 Q134 F140 L141	F123-F130 HydrophobicContact CE1-CB 4.09Å; F123-F130 AromaticContact CE1-CD2 3.95Å; F123-F130 HydrophobicContact CE1-CD2 3.95Å; F123-F130 HydrophobicContact CZ-CB 4.12Å; S124-F130 VanDerWaalsContact O-CB 3.23Å; S124-F130 WeakPolarHBondContact O-CB 3.48Å; Q125-F130 HydrophobicContact CB-CD2 4.32Å; Q125-F130 HydrophobicContact CB-CE2 4.46Å; Q125-F130 WeakPolarHBondContact O-CD1 3.36Å; Q125-F130 VanDerWaalsContact O-CG 3.29Å; Q125-F130 WeakPolarHBondContact O-CG 3.4Å; G127-F130 PolarHBondContact O-N 3.09Å; G127-F130 VanDerWaalsContact O-N 3.12Å; F130-A132 PolarHBondContact O-N 2.96Å; F130-C133 PolarHBondContact O-N 2.75Å; F130-Q134 WeakPolarHBondContact O-CB 3.47Å; F130-Q134 PolarHBondContact O-N 3.04Å; F130-F140 HydrophobicContact CD2-CE1 4.03Å; F130-F140 HydrophobicContact CE2-CE1 4.22Å; F130-L141 HydrophobicContact CE2-CD2 3.97Å; F130-L141 HydrophobicContact CZ-CD2 3.77Å
131	H	97.3	Very high	96.2	Very high	106 Å²	106	61.8 Å²	61.8	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-41.9	177.5	-68.3	-54.6	0	0	0	112.5	G127 C133 Q134 S135	G127-H131 PolarHBondContact O-CD2 3.01Å; G127-H131 VanDerWaalsContact O-CD2 3.28Å; G127-H131 PolarHBondContact O-N 3.09Å; H131-C133 VanDerWaalsContact C-N 3.34Å; H131-C133 PolarHBondContact O-N 3.46Å; H131-Q134 PolarHBondContact O-N 3.21Å; H131-S135 WeakPolarHBondContact O-CB 3.39Å; H131-S135 PolarHBondContact O-N 3.11Å
132	A	97.9	Very high	96.1	Very high	8 Å²	8	65.3 Å²	65.3	7%	0.066	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-42.6	174.5	0	0	0	0	0	111.5	C95 A99 P128 L129 F130 S135 K136	C95-A132 HydrophobicContact CB-CB 3.99Å; A99-A132 HydrophobicContact CB-CB 4.05Å; P128-A132 WeakPolarHBondContact O-CB 3.37Å; P128-A132 PolarHBondContact O-N 2.82Å; L129-A132 PolarHBondContact O-N 3.41Å; F130-A132 PolarHBondContact O-N 2.96Å; A132-S135 PolarHBondContact O-N 3.42Å; A132-K136 WeakPolarHBondContact O-CB 3.42Å; A132-K136 VanDerWaalsContact O-CG 3.3Å; A132-K136 WeakPolarHBondContact O-CG 3.43Å; A132-K136 PolarHBondContact O-N 3.42Å
133	C	97.9	Very high	96	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-45.4	177.8	-69.8	0	0	0	0	111.8	L129 F130 H131 S135 K136 C137 F140	L129-C133 WeakPolarHBondContact O-CB 3.36Å; L129-C133 PolarHBondContact O-N 2.89Å; L129-C133 PolarHBondContact O-SG 3.41Å; F130-C133 PolarHBondContact O-N 2.75Å; H131-C133 VanDerWaalsContact C-N 3.34Å; H131-C133 PolarHBondContact O-N 3.46Å; C133-S135 VanDerWaalsContact C-N 3.28Å; C133-S135 PolarHBondContact O-N 3.14Å; C133-K136 PolarHBondContact O-N 3.12Å; C133-C137 WeakPolarHBondContact O-CA 3.45Å; C133-C137 WeakPolarHBondContact O-CB 3.47Å; C133-C137 PolarHBondContact O-N 3.42Å; C133-F140 HydrophobicContact CB-CD1 3.72Å; C133-F140 HydrophobicContact CB-CD2 3.85Å; C133-F140 HydrophobicContact CB-CE1 3.58Å; C133-F140 HydrophobicContact CB-CE2 3.73Å; C133-F140 HydrophobicContact CB-CG 3.86Å; C133-F140 HydrophobicContact CB-CZ 3.59Å
134	Q	96.8	Very high	96	Very high	100 Å²	100	64.7 Å²	64.7	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-37	176.6	-168.3	-179.4	11.2	0	0	112.1	F130 H131	F130-Q134 WeakPolarHBondContact O-CB 3.47Å; F130-Q134 PolarHBondContact O-N 3.04Å; H131-Q134 PolarHBondContact O-N 3.21Å
135	S	96.2	Very high	96	Very high	90 Å²	90	63 Å²	63	63%	0.629	33%	0.334	S	S	*	.	H	α-helix	trans	-73.6	-39.5	178.4	-176.4	0	0	0	0	113.3	H131 A132 C133	H131-S135 WeakPolarHBondContact O-CB 3.39Å; H131-S135 PolarHBondContact O-N 3.11Å; A132-S135 PolarHBondContact O-N 3.42Å; C133-S135 VanDerWaalsContact C-N 3.28Å; C133-S135 PolarHBondContact O-N 3.14Å
136	K	94.3	Very high	96.1	Very high	105 Å²	105	59.8 Å²	59.8	46%	0.457	32%	0.323	S	S	.	.	H	α-helix	trans	-99.4	-26.2	-170.8	-59.7	-55.9	179.8	-165.3	0	114.5	N96 A99 A132 C133	N96-K136 WeakPolarHBondContact OD1-CE 3.21Å; A99-K136 HydrophobicContact CB-CB 4.01Å; A99-K136 HydrophobicContact CB-CG 4.26Å; A132-K136 WeakPolarHBondContact O-CB 3.42Å; A132-K136 VanDerWaalsContact O-CG 3.3Å; A132-K136 WeakPolarHBondContact O-CG 3.43Å; A132-K136 PolarHBondContact O-N 3.42Å; C133-K136 PolarHBondContact O-N 3.12Å
137	C	94.8	Very high	96.1	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	30%	0.303	C	S	.	.	S	Bend	trans	-103.8	106.3	-175.9	-55.2	0	0	0	0	109.7	A99 C103 C133 G139 F140 Y143	A99-C137 PolarHBondContact O-SG 2.92Å; C103-C137 HydrophobicContact CB-CB 4.45Å; C103-C137 VanDerWaalsContact CB-SG 3.6Å; C133-C137 WeakPolarHBondContact O-CA 3.45Å; C133-C137 WeakPolarHBondContact O-CB 3.47Å; C133-C137 PolarHBondContact O-N 3.42Å; C137-G139 PolarHBondContact O-N 3.1Å; C137-F140 HydrophobicContact CB-CB 3.95Å; C137-F140 HydrophobicContact CB-CD2 4.23Å; C137-F140 HydrophobicContact CB-CG 4.42Å; C137-F140 WeakPolarHBondContact O-CB 3.39Å; C137-F140 PolarHBondContact O-N 2.92Å; C137-F140 VanDerWaalsContact O-N 3.07Å; C137-Y143 HydrophobicContact CB-CE2 4.43Å
138	D	92.5	Very high	95.8	Very high	160 Å²	160	61.7 Å²	61.7	86%	0.856	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	122	177.2	-177.8	33.9	0	0	0	111.1
139	G	94	Very high	95.7	Very high	33 Å²	33	61.1 Å²	61.1	34%	0.34	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	26.4	-177.8	0	0	0	0	0	114.9	C137 L141 T142 Y143	C137-G139 PolarHBondContact O-N 3.1Å; G139-L141 PolarHBondContact O-N 2.92Å; G139-L141 VanDerWaalsContact O-N 3.14Å; G139-T142 WeakPolarHBondContact O-CA 3.46Å; G139-T142 WeakPolarHBondContact O-CB 3.36Å; G139-T142 PolarHBondContact O-N 3.04Å; G139-T142 PolarHBondContact O-OG1 2.77Å; G139-Y143 WeakPolarHBondContact O-CD1 3.47Å
140	F	96.5	Very high	95.6	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.026	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-44.9	-45.1	179.4	-178.5	-120.4	0	0	0	113.9	L102 F123 F130 C133 C137 T142 Y143 F147	L102-F140 HydrophobicContact CD2-CE2 3.79Å; L102-F140 HydrophobicContact CD2-CZ 4.45Å; F123-F140 HydrophobicContact CE1-CE1 4.26Å; F123-F140 HydrophobicContact CE1-CZ 4.01Å; F123-F140 HydrophobicContact CZ-CE1 4.15Å; F123-F140 AromaticContact CZ-CZ 3.75Å; F123-F140 HydrophobicContact CZ-CZ 3.75Å; F130-F140 HydrophobicContact CD2-CE1 4.03Å; F130-F140 HydrophobicContact CE2-CE1 4.22Å; C133-F140 HydrophobicContact CB-CD1 3.72Å; C133-F140 HydrophobicContact CB-CD2 3.85Å; C133-F140 HydrophobicContact CB-CE1 3.58Å; C133-F140 HydrophobicContact CB-CE2 3.73Å; C133-F140 HydrophobicContact CB-CG 3.86Å; C133-F140 HydrophobicContact CB-CZ 3.59Å; C137-F140 HydrophobicContact CB-CB 3.95Å; C137-F140 HydrophobicContact CB-CD2 4.23Å; C137-F140 HydrophobicContact CB-CG 4.42Å; C137-F140 WeakPolarHBondContact O-CB 3.39Å; C137-F140 PolarHBondContact O-N 2.92Å; C137-F140 VanDerWaalsContact O-N 3.07Å; F140-T142 PolarHBondContact O-N 2.63Å; F140-Y143 AromaticContact CD2-CD2 3.84Å; F140-Y143 HydrophobicContact CD2-CD2 3.84Å; F140-Y143 HydrophobicContact CD2-CE2 4.09Å; F140-Y143 HydrophobicContact CD2-CG 4.26Å; F140-Y143 HydrophobicContact CE2-CD2 4.27Å; F140-Y143 WeakPolarHBondContact O-CB 3.4Å; F140-Y143 PolarHBondContact O-N 3.31Å; F140-F147 HydrophobicContact CZ-CE1 4.36Å; F140-F147 HydrophobicContact CZ-CZ 4.41Å
141	L	94.8	Very high	95.5	Very high	120 Å²	120	66.2 Å²	66.2	63%	0.628	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-62.3	-15.5	179.9	-58.8	178.2	0	0	0	114.1	F130 G139	F130-L141 HydrophobicContact CE2-CD2 3.97Å; F130-L141 HydrophobicContact CZ-CD2 3.77Å; G139-L141 PolarHBondContact O-N 2.92Å; G139-L141 VanDerWaalsContact O-N 3.14Å
142	T	94.9	Very high	95.4	Very high	108 Å²	108	63.8 Å²	63.8	66%	0.663	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-98.6	4	176.9	71	0	0	0	0	113	G139 F140	G139-T142 WeakPolarHBondContact O-CA 3.46Å; G139-T142 WeakPolarHBondContact O-CB 3.36Å; G139-T142 PolarHBondContact O-N 3.04Å; G139-T142 PolarHBondContact O-OG1 2.77Å; F140-T142 PolarHBondContact O-N 2.63Å
143	Y	96.5	Very high	95.2	Very high	31 Å²	31	67.3 Å²	67.3	12%	0.122	37%	0.365	C	S	.	.			trans	-66.9	138.9	179.7	-78.4	20.3	0	0	0	110.5	Y106 C137 G139 F140 V145	Y106-Y143 AromaticContact CD1-CD1 3.78Å; Y106-Y143 HydrophobicContact CD1-CD1 3.78Å; Y106-Y143 AromaticContact CD1-CD2 3.64Å; Y106-Y143 HydrophobicContact CD1-CD2 3.64Å; Y106-Y143 AromaticContact CD1-CE1 3.58Å; Y106-Y143 HydrophobicContact CD1-CE1 3.58Å; Y106-Y143 AromaticContact CD1-CE2 3.44Å; Y106-Y143 HydrophobicContact CD1-CE2 3.44Å; Y106-Y143 VanDerWaalsContact CD1-CE2 3.44Å; Y106-Y143 AromaticContact CD1-CG 3.8Å; Y106-Y143 HydrophobicContact CD1-CG 3.8Å; Y106-Y143 AromaticContact CD1-CZ 3.39Å; Y106-Y143 AromaticContact CD2-CD2 3.68Å; Y106-Y143 HydrophobicContact CD2-CD2 3.68Å; Y106-Y143 HydrophobicContact CD2-CE2 4.16Å; Y106-Y143 HydrophobicContact CD2-CG 4.01Å; Y106-Y143 AromaticContact CE1-CD1 3.46Å; Y106-Y143 HydrophobicContact CE1-CD1 3.46Å; Y106-Y143 VanDerWaalsContact CE1-CD1 3.46Å; Y106-Y143 HydrophobicContact CE1-CD2 4Å; Y106-Y143 AromaticContact CE1-CE1 3.61Å; Y106-Y143 HydrophobicContact CE1-CE1 3.61Å; Y106-Y143 HydrophobicContact CE1-CE2 4.15Å; Y106-Y143 AromaticContact CE1-CG 3.65Å; Y106-Y143 HydrophobicContact CE1-CG 3.65Å; Y106-Y143 AromaticContact CE1-CZ 3.95Å; Y106-Y143 HydrophobicContact CE2-CD2 4.08Å; Y106-Y143 AromaticContact CE2-CG 3.91Å; Y106-Y143 HydrophobicContact CE2-CG 3.91Å; Y106-Y143 HydrophobicContact CG-CD1 4.41Å; Y106-Y143 AromaticContact CG-CD2 3.45Å; Y106-Y143 HydrophobicContact CG-CD2 3.45Å; Y106-Y143 VanDerWaalsContact CG-CD2 3.45Å; Y106-Y143 HydrophobicContact CG-CE1 4.39Å; Y106-Y143 AromaticContact CG-CE2 3.43Å; Y106-Y143 HydrophobicContact CG-CE2 3.43Å; Y106-Y143 VanDerWaalsContact CG-CE2 3.43Å; Y106-Y143 AromaticContact CG-CG 3.96Å; Y106-Y143 HydrophobicContact CG-CG 3.96Å; Y106-Y143 AromaticContact CG-CZ 3.92Å; Y106-Y143 AromaticContact CZ-CD1 3.88Å; Y106-Y143 AromaticContact CZ-CG 3.71Å; Y106-Y143 WeakPolarHBondContact OH-CA 3.49Å; C137-Y143 HydrophobicContact CB-CE2 4.43Å; G139-Y143 WeakPolarHBondContact O-CD1 3.47Å; F140-Y143 AromaticContact CD2-CD2 3.84Å; F140-Y143 HydrophobicContact CD2-CD2 3.84Å; F140-Y143 HydrophobicContact CD2-CE2 4.09Å; F140-Y143 HydrophobicContact CD2-CG 4.26Å; F140-Y143 HydrophobicContact CE2-CD2 4.27Å; F140-Y143 WeakPolarHBondContact O-CB 3.4Å; F140-Y143 PolarHBondContact O-N 3.31Å; Y143-V145 VanDerWaalsContact C-N 3.31Å; Y143-V145 PolarHBondContact O-N 3.09Å
144	K	96.6	Very high	95	Very high	66 Å²	66	71.8 Å²	71.8	29%	0.287	39%	0.389	S	S	.	.			trans	-86.9	75.8	172.7	-60.6	-56.6	-174.5	169.4	0	109.2	L70 Y106	L70-K144 HydrophobicContact CB-CB 3.93Å; L70-K144 HydrophobicContact CB-CG 4.02Å; Y106-K144 PolarHBondContact OH-N 3.2Å
145	V	96.8	Very high	94.9	Very high	13 Å²	13	69.8 Å²	69.8	8%	0.079	38%	0.384	C	S	.	.			trans	-129.8	151.3	177.5	-60	0	0	0	0	108.9	Y106 I118 L120 Y143 F147	Y106-V145 HydrophobicContact CD2-CG1 4.03Å; Y106-V145 HydrophobicContact CE2-CG1 4.17Å; I118-V145 HydrophobicContact CB-CG1 3.99Å; I118-V145 HydrophobicContact CG2-CG1 4Å; I118-V145 WeakPolarHBondContact O-CA 3.18Å; L120-V145 HydrophobicContact CD1-CG2 4.46Å; Y143-V145 VanDerWaalsContact C-N 3.31Å; Y143-V145 PolarHBondContact O-N 3.09Å; V145-F147 HydrophobicContact CG2-CE1 4.25Å; V145-F147 HydrophobicContact CG2-CE2 4.06Å; V145-F147 HydrophobicContact CG2-CZ 3.75Å
146	S	96.2	Very high	94.8	Very high	37 Å²	37	68.2 Å²	68.2	26%	0.259	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	146.4	172.9	-164.9	0	0	0	0	110	I118 N119 L120	I118-S146 PolarHBondContact O-N 2.98Å; N119-S146 CarbonylContact C-O 3.51Å; N119-S146 WeakPolarHBondContact CA-O 3.47Å; N119-S146 WeakPolarHBondContact OD1-CB 3.5Å; L120-S146 PolarHBondContact N-O 3.18Å
147	F	94.7	Very high	94.8	Very high	77 Å²	77	65.2 Å²	65.2	34%	0.338	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125	170.8	-56.5	-82.6	0	0	0	107.3	L120 F123 F140 V145	L120-F147 HydrophobicContact CB-CD1 4.22Å; L120-F147 HydrophobicContact CD1-CD1 4.14Å; L120-F147 HydrophobicContact CD1-CE1 3.76Å; L120-F147 WeakPolarHBondContact O-CA 3.22Å; F123-F147 HydrophobicContact CB-CD1 4.33Å; F123-F147 AromaticContact CD1-CD1 3.47Å; F123-F147 HydrophobicContact CD1-CD1 3.47Å; F123-F147 VanDerWaalsContact CD1-CD1 3.47Å; F123-F147 AromaticContact CD1-CE1 3.49Å; F123-F147 HydrophobicContact CD1-CE1 3.49Å; F123-F147 VanDerWaalsContact CD1-CE1 3.49Å; F123-F147 HydrophobicContact CE1-CD1 4.07Å; F123-F147 AromaticContact CE1-CE1 3.58Å; F123-F147 HydrophobicContact CE1-CE1 3.58Å; F123-F147 HydrophobicContact CG-CD1 4.17Å; F123-F147 HydrophobicContact CG-CE1 4.39Å; F140-F147 HydrophobicContact CZ-CE1 4.36Å; F140-F147 HydrophobicContact CZ-CZ 4.41Å; V145-F147 HydrophobicContact CG2-CE1 4.25Å; V145-F147 HydrophobicContact CG2-CE2 4.06Å; V145-F147 HydrophobicContact CG2-CZ 3.75Å
148	L	89.7	Confident	94.8	Very high	129 Å²	129	70.9 Å²	70.9	68%	0.675	39%	0.388	S	S	*	.			trans	-123.7	0	-177	-64	175.8	0	0	0	111	Y81 N119 L120 V121 N122	Y81-L148 HydrophobicContact CD1-CD1 4Å; Y81-L148 HydrophobicContact CE1-CD1 3.6Å; N119-L148 HydrophobicContact CB-CD1 4Å; L120-L148 PolarHBondContact O-N 3.3Å; V121-L148 CarbonylContact C-O 3.6Å; V121-L148 VanDerWaalsContact CA-O 3.31Å; V121-L148 WeakPolarHBondContact CA-O 3.36Å; V121-L148 HydrophobicContact CG2-CB 4.24Å; V121-L148 HydrophobicContact CG2-CD1 4.37Å; N122-L148 PolarHBondContact N-O 3.18Å

Retrieved 148 of 148 residues in 31.7 ms (Link to these results)

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