A0A096MY69_PAPAN Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex.

AlphaFold DB (Q8WYH8), UniProt , Accession A0A096MY69, Species PAPAN (Papio anubis, Olive baboon), Gene ING5, Length 240 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	56.8	Low	72.6	Confident	208 Å²	208	101.6 Å²	101.6	100%	1.025	52%	0.523	S	S	*	.				0	-51.7	0	-76.2	-165	-95.3	0	0	111.6	T3 A4 M5	M1-T3 PolarHBondContact O-N 3.13Å; M1-A4 PolarHBondContact O-N 2.92Å; M1-M5 PolarHBondContact O-N 2.89Å
2	A	64.1	Low	72.9	Confident	40 Å²	40	101.8 Å²	101.8	33%	0.331	53%	0.526	S	S	.	.	H	α-helix	trans	-57.1	-46.8	-179.1	0	0	0	0	0	114.3	A4 M5 Y6	A2-A4 VanDerWaalsContact C-N 3.3Å; A2-A4 PolarHBondContact O-N 2.91Å; A2-M5 PolarHBondContact O-N 2.97Å; A2-M5 VanDerWaalsContact O-N 3.17Å; A2-Y6 VanDerWaalsContact C-CD2 3.45Å; A2-Y6 HydrophobicContact CB-CD2 4.49Å; A2-Y6 HydrophobicContact CB-CE2 3.76Å; A2-Y6 WeakPolarHBondContact O-CD2 3.43Å; A2-Y6 WeakPolarHBondContact O-CE2 3.41Å; A2-Y6 PolarHBondContact O-N 2.91Å
3	T	70	Confident	72.8	Confident	97 Å²	97	94.2 Å²	94.2	60%	0.595	49%	0.487	S	S	*	.	H	α-helix	trans	-56.4	-37.1	178.9	43.2	0	0	0	0	114.5	M1 L7	M1-T3 PolarHBondContact O-N 3.13Å; T3-L7 PolarHBondContact O-N 3.44Å
4	A	73.2	Confident	73.4	Confident	49 Å²	49	90 Å²	90	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-68.7	-42.2	178.6	0	0	0	0	0	111.7	M1 A2 Y6 L7 E8	M1-A4 PolarHBondContact O-N 2.92Å; A2-A4 VanDerWaalsContact C-N 3.3Å; A2-A4 PolarHBondContact O-N 2.91Å; A4-Y6 VanDerWaalsContact C-N 3.32Å; A4-Y6 PolarHBondContact O-N 2.71Å; A4-L7 PolarHBondContact O-N 3.01Å; A4-E8 WeakPolarHBondContact O-CG 3.45Å; A4-E8 PolarHBondContact O-N 3.38Å
5	M	75.8	Confident	74	Confident	133 Å²	133	93.3 Å²	93.3	66%	0.655	48%	0.477	S	S	*	.	H	α-helix	trans	-64.5	-34.8	178.3	-64.7	-172.9	71.6	0	0	112.7	M1 A2 H9	M1-M5 PolarHBondContact O-N 2.89Å; A2-M5 PolarHBondContact O-N 2.97Å; A2-M5 VanDerWaalsContact O-N 3.17Å; M5-H9 PolarHBondContact O-N 3.36Å
6	Y	71.7	Confident	74.6	Confident	73 Å²	73	93.4 Å²	93.4	29%	0.286	48%	0.479	S	S	.	.	H	α-helix	trans	-70.1	-40.8	177	-62.1	-67.8	0	0	0	112.3	A2 A4 E8 H9 Y10 F107 D110	A2-Y6 VanDerWaalsContact C-CD2 3.45Å; A2-Y6 HydrophobicContact CB-CD2 4.49Å; A2-Y6 HydrophobicContact CB-CE2 3.76Å; A2-Y6 WeakPolarHBondContact O-CD2 3.43Å; A2-Y6 WeakPolarHBondContact O-CE2 3.41Å; A2-Y6 PolarHBondContact O-N 2.91Å; A4-Y6 VanDerWaalsContact C-N 3.32Å; A4-Y6 PolarHBondContact O-N 2.71Å; Y6-E8 VanDerWaalsContact C-N 3.34Å; Y6-H9 PolarHBondContact O-N 3.45Å; Y6-Y10 WeakPolarHBondContact O-CB 3.46Å; Y6-Y10 PolarHBondContact O-N 2.92Å; Y6-F107 HydrophobicContact CD1-CD2 4.19Å; Y6-F107 AromaticContact CD2-CD2 3.79Å; Y6-F107 HydrophobicContact CD2-CD2 3.79Å; Y6-F107 AromaticContact CD2-CE2 3.88Å; Y6-F107 HydrophobicContact CD2-CE2 3.88Å; Y6-F107 HydrophobicContact CE1-CD2 4.21Å; Y6-F107 AromaticContact CE2-CD2 3.84Å; Y6-F107 HydrophobicContact CE2-CD2 3.84Å; Y6-F107 HydrophobicContact CE2-CE2 4.03Å; Y6-F107 HydrophobicContact CG-CD2 4Å; Y6-F107 HydrophobicContact CG-CE2 4.44Å; Y6-D110 PolarHBondContact OH-OD2 3.08Å
7	L	75.6	Confident	75.4	Confident	109 Å²	109	89.2 Å²	89.2	57%	0.571	46%	0.458	S	S	*	.	H	α-helix	trans	-62.8	-42.2	174.9	-83.8	156.2	0	0	0	111.1	T3 A4 Y10 L11	T3-L7 PolarHBondContact O-N 3.44Å; A4-L7 PolarHBondContact O-N 3.01Å; L7-Y10 PolarHBondContact O-N 2.93Å; L7-L11 WeakPolarHBondContact O-CB 3.21Å; L7-L11 VanDerWaalsContact O-CG 3.22Å; L7-L11 WeakPolarHBondContact O-CG 3.26Å; L7-L11 PolarHBondContact O-N 3.22Å
8	E	78.8	Confident	76.2	Confident	116 Å²	116	88.6 Å²	88.6	54%	0.542	46%	0.461	S	S	.	.	H	α-helix	trans	-60.1	-47.9	174.3	-73.7	171.3	-177.1	0	0	111.2	A4 Y6 Y10 L11 D12	A4-E8 WeakPolarHBondContact O-CG 3.45Å; A4-E8 PolarHBondContact O-N 3.38Å; Y6-E8 VanDerWaalsContact C-N 3.34Å; E8-Y10 VanDerWaalsContact C-N 3.32Å; E8-Y10 PolarHBondContact O-N 2.81Å; E8-L11 PolarHBondContact O-N 2.88Å; E8-D12 WeakPolarHBondContact O-CB 3.46Å; E8-D12 VanDerWaalsContact O-CG 3.24Å; E8-D12 PolarHBondContact O-N 3.44Å
9	H	75.4	Confident	77	Confident	71 Å²	71	88.8 Å²	88.8	33%	0.329	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-36.8	177.7	-169.8	-100	0	0	0	113.1	M5 Y6 S13 R99 D103	M5-H9 PolarHBondContact O-N 3.36Å; Y6-H9 PolarHBondContact O-N 3.45Å; H9-S13 VanDerWaalsContact O-CB 3.27Å; H9-S13 WeakPolarHBondContact O-CB 3.33Å; H9-S13 PolarHBondContact O-N 3.01Å; H9-S13 PolarHBondContact O-OG 2.89Å; H9-R99 PolarHBondContact NE2-NH2 3.3Å; H9-R99 VanDerWaalsContact NE2-NH2 3.13Å; H9-D103 VanDerWaalsContact CE1-CG 3.45Å; H9-D103 IonicContact CE1-OD1 3.26Å; H9-D103 PolarHBondContact CE1-OD1 2.99Å; H9-D103 VanDerWaalsContact CE1-OD1 3.26Å; H9-D103 IonicContact CE1-OD2 2.96Å; H9-D103 PolarHBondContact CE1-OD2 3.46Å; H9-D103 IonicContact ND1-OD1 3.53Å; H9-D103 IonicContact ND1-OD2 2.79Å; H9-D103 PolarHBondContact ND1-OD2 3.14Å
10	Y	76.9	Confident	77.7	Confident	114 Å²	114	88.4 Å²	88.4	45%	0.447	46%	0.464	S	S	.	.	H	α-helix	trans	-64.9	-47.2	175.2	-177.8	-89.5	0	0	0	111.5	Y6 L7 E8 S13 I14 L100	Y6-Y10 WeakPolarHBondContact O-CB 3.46Å; Y6-Y10 PolarHBondContact O-N 2.92Å; L7-Y10 PolarHBondContact O-N 2.93Å; E8-Y10 VanDerWaalsContact C-N 3.32Å; E8-Y10 PolarHBondContact O-N 2.81Å; Y10-S13 WeakPolarHBondContact O-CB 3.45Å; Y10-S13 PolarHBondContact O-N 3.2Å; Y10-I14 HydrophobicContact CD1-CD1 3.81Å; Y10-I14 HydrophobicContact CD2-CD1 4.25Å; Y10-I14 HydrophobicContact CE1-CD1 3.26Å; Y10-I14 HydrophobicContact CE2-CD1 3.77Å; Y10-I14 HydrophobicContact CG-CD1 4.27Å; Y10-I14 WeakPolarHBondContact O-CG1 3.29Å; Y10-I14 PolarHBondContact O-N 3.49Å; Y10-I14 WeakPolarHBondContact OH-CD1 3.46Å; Y10-L100 HydrophobicContact CD2-CD2 3.38Å; Y10-L100 HydrophobicContact CE2-CD1 4.08Å; Y10-L100 HydrophobicContact CE2-CD2 3.38Å; Y10-L100 HydrophobicContact CE2-CG 4.28Å; Y10-L100 HydrophobicContact CG-CD2 4.32Å
11	L	80.6	Confident	78.5	Confident	108 Å²	108	85.9 Å²	85.9	57%	0.565	45%	0.451	S	S	*	.	H	α-helix	trans	-64.4	-46.7	178.7	-69.4	172.7	0	0	0	111.1	L7 E8 S13 I14 E15	L7-L11 WeakPolarHBondContact O-CB 3.21Å; L7-L11 VanDerWaalsContact O-CG 3.22Å; L7-L11 WeakPolarHBondContact O-CG 3.26Å; L7-L11 PolarHBondContact O-N 3.22Å; E8-L11 PolarHBondContact O-N 2.88Å; L11-S13 PolarHBondContact O-N 3.44Å; L11-I14 CarbonylContact O-C 3.59Å; L11-I14 PolarHBondContact O-N 3.49Å; L11-E15 WeakPolarHBondContact O-CB 3.26Å; L11-E15 PolarHBondContact O-N 3.37Å
12	D	75.7	Confident	80.3	Confident	104 Å²	104	83 Å²	83	56%	0.556	44%	0.436	S	S	*	.	H	α-helix	trans	-58.9	-33	175.3	-73.1	-0.8	0	0	0	111.8	E8 I14	E8-D12 WeakPolarHBondContact O-CB 3.46Å; E8-D12 VanDerWaalsContact O-CG 3.24Å; E8-D12 PolarHBondContact O-N 3.44Å; D12-I14 VanDerWaalsContact C-N 3.3Å; D12-I14 PolarHBondContact O-N 2.93Å
13	S	72.4	Confident	81.8	Confident	3 Å²	3	89.4 Å²	89.4	2%	0.021	45%	0.451	C	S	.	.	H	α-helix	trans	-73	-20.9	178.4	-63.5	0	0	0	0	113.3	H9 Y10 L11 H96 R99	H9-S13 VanDerWaalsContact O-CB 3.27Å; H9-S13 WeakPolarHBondContact O-CB 3.33Å; H9-S13 PolarHBondContact O-N 3.01Å; H9-S13 PolarHBondContact O-OG 2.89Å; Y10-S13 WeakPolarHBondContact O-CB 3.45Å; Y10-S13 PolarHBondContact O-N 3.2Å; L11-S13 PolarHBondContact O-N 3.44Å; S13-H96 PolarHBondContact O-CE1 3.36Å; S13-H96 PolarHBondContact O-ND1 3.35Å; S13-R99 PolarHBondContact OG-NE 3.39Å; S13-R99 PolarHBondContact OG-NH2 3.02Å
14	I	81.3	Confident	83	Confident	35 Å²	35	85.7 Å²	85.7	18%	0.179	43%	0.428	C	S	.	.	H	α-helix	trans	-117.1	-14.1	-173.9	-58.2	171.4	0	0	0	112	Y10 L11 D12 N16 L17 P18 L100	Y10-I14 HydrophobicContact CD1-CD1 3.81Å; Y10-I14 HydrophobicContact CD2-CD1 4.25Å; Y10-I14 HydrophobicContact CE1-CD1 3.26Å; Y10-I14 HydrophobicContact CE2-CD1 3.77Å; Y10-I14 HydrophobicContact CG-CD1 4.27Å; Y10-I14 WeakPolarHBondContact O-CG1 3.29Å; Y10-I14 PolarHBondContact O-N 3.49Å; Y10-I14 WeakPolarHBondContact OH-CD1 3.46Å; L11-I14 CarbonylContact O-C 3.59Å; L11-I14 PolarHBondContact O-N 3.49Å; D12-I14 VanDerWaalsContact C-N 3.3Å; D12-I14 PolarHBondContact O-N 2.93Å; I14-N16 PolarHBondContact O-N 3.37Å; I14-L17 HydrophobicContact CG2-CB 4.35Å; I14-L17 HydrophobicContact CG2-CD2 4.35Å; I14-L17 WeakPolarHBondContact O-CB 3.45Å; I14-L17 PolarHBondContact O-N 3.37Å; I14-P18 WeakPolarHBondContact O-CD 3.34Å; I14-L100 HydrophobicContact CD1-CD1 3.84Å; I14-L100 HydrophobicContact CD1-CD2 4Å; I14-L100 HydrophobicContact CD1-CG 4.49Å; I14-L100 HydrophobicContact CG1-CD1 4.3Å; I14-L100 HydrophobicContact CG1-CD2 4.27Å
15	E	82.1	Confident	84.2	Confident	140 Å²	140	88.8 Å²	88.8	65%	0.654	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-41.9	-170.5	-171	177.1	-162.2	0	0	113.6	L11	L11-E15 WeakPolarHBondContact O-CB 3.26Å; L11-E15 PolarHBondContact O-N 3.37Å
16	N	82.5	Confident	85.2	Confident	94 Å²	94	86.3 Å²	86.3	50%	0.503	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-19	-178	-60.8	-45.6	0	0	0	113.9	I14 C19 E20	I14-N16 PolarHBondContact O-N 3.37Å; N16-C19 PolarHBondContact O-N 3Å; N16-E20 WeakPolarHBondContact CB-OE1 3.43Å; N16-E20 WeakPolarHBondContact O-CG 3.2Å; N16-E20 PolarHBondContact O-N 3.2Å
17	L	88.6	Confident	86.4	Confident	23 Å²	23	85.7 Å²	85.7	12%	0.12	42%	0.42	C	S	.	.	H	α-helix	trans	-60	-46.9	-172.5	174.5	69.9	0	0	0	112.5	I14 C19 E20 L21 M92 V93 H96	I14-L17 HydrophobicContact CG2-CB 4.35Å; I14-L17 HydrophobicContact CG2-CD2 4.35Å; I14-L17 WeakPolarHBondContact O-CB 3.45Å; I14-L17 PolarHBondContact O-N 3.37Å; L17-C19 VanDerWaalsContact C-N 3.33Å; L17-C19 PolarHBondContact O-N 3.3Å; L17-E20 PolarHBondContact O-N 3.48Å; L17-L21 HydrophobicContact CD1-CD1 3.9Å; L17-L21 HydrophobicContact CD1-CG 3.92Å; L17-L21 HydrophobicContact CG-CD1 3.88Å; L17-L21 HydrophobicContact CG-CG 4.31Å; L17-L21 VanDerWaalsContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CB 3.3Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.25Å; L17-M92 HydrophobicContact CD1-CE 3.77Å; L17-M92 HydrophobicContact CD1-CG 4.26Å; L17-M92 HydrophobicContact CD1-SD 4.44Å; L17-V93 HydrophobicContact CD1-CG2 4.18Å; L17-H96 VanDerWaalsContact CD1-CD2 3.46Å; L17-H96 WeakPolarHBondContact CD1-CD2 3.39Å; L17-H96 HydrophobicContact CD2-CB 4.06Å
18	P	90.7	Very high	87.5	Confident	78 Å²	78	81.6 Å²	81.6	51%	0.506	40%	0.399	S	S	.	.	H	α-helix	trans	-60.3	-40	176.9	-25.7	34.5	0	0	0	113.6	I14 Q22	I14-P18 WeakPolarHBondContact O-CD 3.34Å; P18-Q22 VanDerWaalsContact O-CB 3.3Å; P18-Q22 WeakPolarHBondContact O-CB 3.32Å; P18-Q22 PolarHBondContact O-N 3.39Å
19	C	90.4	Very high	88.4	Confident	92 Å²	92	84 Å²	84	62%	0.622	40%	0.403	S	S	*	.	H	α-helix	trans	-67.8	-44.8	179.9	-172.6	0	0	0	0	111	N16 L17 Q22 R23	N16-C19 PolarHBondContact O-N 3Å; L17-C19 VanDerWaalsContact C-N 3.33Å; L17-C19 PolarHBondContact O-N 3.3Å; C19-Q22 PolarHBondContact O-N 3.49Å; C19-R23 WeakPolarHBondContact O-CB 3.42Å; C19-R23 PolarHBondContact O-N 2.95Å
20	E	91	Very high	89.5	Confident	80 Å²	80	84 Å²	84	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-43	176.5	-69.8	177.6	-155.5	0	0	111.8	N16 L17 R23 N24 M92	N16-E20 WeakPolarHBondContact CB-OE1 3.43Å; N16-E20 WeakPolarHBondContact O-CG 3.2Å; N16-E20 PolarHBondContact O-N 3.2Å; L17-E20 PolarHBondContact O-N 3.48Å; E20-R23 PolarHBondContact O-N 3.19Å; E20-N24 WeakPolarHBondContact O-CB 3.19Å; E20-N24 VanDerWaalsContact O-CG 3.24Å; E20-N24 PolarHBondContact O-N 3.06Å; E20-N24 PolarHBondContact O-OD1 2.9Å; E20-M92 HydrophobicContact CB-CE 4.12Å; E20-M92 HydrophobicContact CB-SD 3.67Å; E20-M92 HydrophobicContact CG-SD 4.5Å
21	L	94.7	Very high	90.5	Very high	36 Å²	36	79.3 Å²	79.3	19%	0.188	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-49.7	174.1	-78.8	175.5	0	0	0	112	L17 R23 N24 F25 T89 M92 V93	L17-L21 HydrophobicContact CD1-CD1 3.9Å; L17-L21 HydrophobicContact CD1-CG 3.92Å; L17-L21 HydrophobicContact CG-CD1 3.88Å; L17-L21 HydrophobicContact CG-CG 4.31Å; L17-L21 VanDerWaalsContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CB 3.3Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.25Å; L21-R23 VanDerWaalsContact C-N 3.25Å; L21-R23 PolarHBondContact O-N 2.97Å; L21-N24 PolarHBondContact O-N 3.49Å; L21-N24 VanDerWaalsContact O-N 3.13Å; L21-F25 HydrophobicContact CB-CD2 4.22Å; L21-F25 HydrophobicContact CB-CE2 4.02Å; L21-F25 HydrophobicContact CD2-CE2 3.94Å; L21-F25 HydrophobicContact CD2-CZ 4.34Å; L21-F25 HydrophobicContact CG-CE2 4.48Å; L21-F25 WeakPolarHBondContact O-CD2 3.19Å; L21-F25 WeakPolarHBondContact O-CG 3.46Å; L21-F25 PolarHBondContact O-N 2.98Å; L21-T89 HydrophobicContact CD2-CG2 3.56Å; L21-M92 HydrophobicContact CD2-CE 3.5Å; L21-M92 HydrophobicContact CG-CE 3.71Å; L21-V93 HydrophobicContact CD1-CG2 4.36Å; L21-V93 HydrophobicContact CD2-CG2 3.68Å; L21-V93 HydrophobicContact CG-CG2 4.43Å
22	Q	94.7	Very high	91.3	Very high	149 Å²	149	76.2 Å²	76.2	70%	0.696	37%	0.369	S	S	*	.	H	α-helix	trans	-58.3	-41.8	178.9	-177.2	178	-17.9	0	0	111.2	P18 C19 Q26	P18-Q22 VanDerWaalsContact O-CB 3.3Å; P18-Q22 WeakPolarHBondContact O-CB 3.32Å; P18-Q22 PolarHBondContact O-N 3.39Å; C19-Q22 PolarHBondContact O-N 3.49Å; Q22-Q26 WeakPolarHBondContact O-CB 3.45Å; Q22-Q26 PolarHBondContact O-N 2.82Å
23	R	95.2	Very high	92.4	Very high	173 Å²	173	76.3 Å²	76.3	65%	0.653	37%	0.367	S	S	*	.	H	α-helix	trans	-61.6	-48.5	174.4	-177.5	-176.2	177.6	-145.4	-2	111.5	C19 E20 L21 Q26 L27	C19-R23 WeakPolarHBondContact O-CB 3.42Å; C19-R23 PolarHBondContact O-N 2.95Å; E20-R23 PolarHBondContact O-N 3.19Å; L21-R23 VanDerWaalsContact C-N 3.25Å; L21-R23 PolarHBondContact O-N 2.97Å; R23-Q26 PolarHBondContact O-N 3.31Å; R23-L27 HydrophobicContact CG-CD1 4.16Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å; R23-L27 PolarHBondContact O-N 3.36Å
24	N	96.4	Very high	93.6	Very high	20 Å²	20	81.5 Å²	81.5	11%	0.107	39%	0.385	C	S	.	.	H	α-helix	trans	-65.9	-41.2	-178.5	-70.1	-1	0	0	0	112.1	E20 L21 Q26 L27 M28 L85 T89	E20-N24 WeakPolarHBondContact O-CB 3.19Å; E20-N24 VanDerWaalsContact O-CG 3.24Å; E20-N24 PolarHBondContact O-N 3.06Å; E20-N24 PolarHBondContact O-OD1 2.9Å; L21-N24 PolarHBondContact O-N 3.49Å; L21-N24 VanDerWaalsContact O-N 3.13Å; N24-Q26 VanDerWaalsContact C-N 3.35Å; N24-Q26 PolarHBondContact O-N 3.38Å; N24-L27 PolarHBondContact O-N 3.05Å; N24-M28 WeakPolarHBondContact O-CG 3.46Å; N24-M28 PolarHBondContact O-N 3.4Å; N24-L85 HydrophobicContact CB-CD1 4.17Å; N24-T89 HydrophobicContact CB-CG2 4.15Å; N24-T89 WeakPolarHBondContact CB-OG1 3.46Å; N24-T89 PolarHBondContact ND2-OG1 3.48Å
25	F	96.8	Very high	94.5	Very high	113 Å²	113	80 Å²	80	50%	0.496	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-39.9	174.1	-71.8	-56.9	0	0	0	112.3	L21 M28 R29	L21-F25 HydrophobicContact CB-CD2 4.22Å; L21-F25 HydrophobicContact CB-CE2 4.02Å; L21-F25 HydrophobicContact CD2-CE2 3.94Å; L21-F25 HydrophobicContact CD2-CZ 4.34Å; L21-F25 HydrophobicContact CG-CE2 4.48Å; L21-F25 WeakPolarHBondContact O-CD2 3.19Å; L21-F25 WeakPolarHBondContact O-CG 3.46Å; L21-F25 PolarHBondContact O-N 2.98Å; F25-M28 HydrophobicContact CD1-CE 3.45Å; F25-M28 VanDerWaalsContact CD1-CE 3.45Å; F25-M28 HydrophobicContact CE1-CE 3.77Å; F25-M28 HydrophobicContact CG-CE 4.26Å; F25-M28 PolarHBondContact O-N 3.16Å; F25-R29 VanDerWaalsContact O-CG 3.31Å; F25-R29 WeakPolarHBondContact O-CG 3.4Å; F25-R29 PolarHBondContact O-N 3.18Å
26	Q	97	Very high	95.2	Very high	81 Å²	81	77.4 Å²	77.4	38%	0.379	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-43.6	175	-178.2	53.6	36.9	0	0	111.6	Q22 R23 N24 R29 E30	Q22-Q26 WeakPolarHBondContact O-CB 3.45Å; Q22-Q26 PolarHBondContact O-N 2.82Å; R23-Q26 PolarHBondContact O-N 3.31Å; N24-Q26 VanDerWaalsContact C-N 3.35Å; N24-Q26 PolarHBondContact O-N 3.38Å; Q26-R29 PolarHBondContact O-N 3.23Å; Q26-E30 PolarHBondContact NE2-OE1 3.16Å; Q26-E30 VanDerWaalsContact NE2-OE1 3.15Å; Q26-E30 WeakPolarHBondContact O-CG 3.49Å; Q26-E30 PolarHBondContact O-N 3.37Å
27	L	97.7	Very high	96	Very high	61 Å²	61	77.2 Å²	77.2	32%	0.319	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-40.5	175.3	-72.4	172.7	0	0	0	112.4	R23 N24 R29 E30 L31 L85	R23-L27 HydrophobicContact CG-CD1 4.16Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å; R23-L27 PolarHBondContact O-N 3.36Å; N24-L27 PolarHBondContact O-N 3.05Å; L27-R29 PolarHBondContact O-N 3.11Å; L27-E30 PolarHBondContact O-N 3.44Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.48Å; L27-L85 HydrophobicContact CB-CD2 3.5Å; L27-L85 VanDerWaalsContact CB-CD2 3.5Å
28	M	98	Very high	96.5	Very high	23 Å²	23	78.4 Å²	78.4	11%	0.113	37%	0.369	C	S	.	.	H	α-helix	trans	-61.6	-42.5	174.6	-77.3	-171.4	-85.9	0	0	111.6	N24 F25 E30 L31 D32 L85 A86 T89	N24-M28 WeakPolarHBondContact O-CG 3.46Å; N24-M28 PolarHBondContact O-N 3.4Å; F25-M28 HydrophobicContact CD1-CE 3.45Å; F25-M28 VanDerWaalsContact CD1-CE 3.45Å; F25-M28 HydrophobicContact CE1-CE 3.77Å; F25-M28 HydrophobicContact CG-CE 4.26Å; F25-M28 PolarHBondContact O-N 3.16Å; M28-E30 VanDerWaalsContact C-N 3.33Å; M28-E30 PolarHBondContact O-N 2.89Å; M28-L31 PolarHBondContact O-N 3.5Å; M28-D32 PolarHBondContact O-N 3.07Å; M28-L85 HydrophobicContact CB-CD2 4.32Å; M28-L85 HydrophobicContact CG-CB 4.39Å; M28-L85 HydrophobicContact CG-CD2 3.47Å; M28-L85 VanDerWaalsContact CG-CD2 3.47Å; M28-L85 HydrophobicContact CG-CG 3.81Å; M28-A86 HydrophobicContact SD-CB 4.05Å; M28-T89 HydrophobicContact CE-CG2 4.43Å
29	R	98.1	Very high	96.8	Very high	167 Å²	167	79.6 Å²	79.6	63%	0.63	37%	0.367	S	S	*	.	H	α-helix	trans	-63.4	-37.8	175.5	-71.1	173.3	69.1	-149.5	4.9	112.6	F25 Q26 L27 D32 Q33	F25-R29 VanDerWaalsContact O-CG 3.31Å; F25-R29 WeakPolarHBondContact O-CG 3.4Å; F25-R29 PolarHBondContact O-N 3.18Å; Q26-R29 PolarHBondContact O-N 3.23Å; L27-R29 PolarHBondContact O-N 3.11Å; R29-D32 PolarHBondContact O-N 2.89Å; R29-Q33 PolarHBondContact O-N 2.78Å
30	E	98.1	Very high	97.2	Very high	69 Å²	69	77.5 Å²	77.5	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-39.6	174.9	-73.2	174.3	-154.3	0	0	112.2	Q26 L27 M28 R34	Q26-E30 PolarHBondContact NE2-OE1 3.16Å; Q26-E30 VanDerWaalsContact NE2-OE1 3.15Å; Q26-E30 WeakPolarHBondContact O-CG 3.49Å; Q26-E30 PolarHBondContact O-N 3.37Å; L27-E30 PolarHBondContact O-N 3.44Å; M28-E30 VanDerWaalsContact C-N 3.33Å; M28-E30 PolarHBondContact O-N 2.89Å; E30-R34 VanDerWaalsContact O-CG 3.23Å; E30-R34 WeakPolarHBondContact O-CG 3.34Å; E30-R34 PolarHBondContact O-N 2.94Å; E30-R34 IonicContact OE2-NH2 3.92Å; E30-R34 PolarHBondContact OE2-NH2 3.19Å
31	L	98.2	Very high	97.6	Very high	17 Å²	17	77.4 Å²	77.4	9%	0.089	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-39.1	174.9	-74.7	168.5	0	0	0	112	L27 M28 R34 T35 Y78 D81 K82 L85	L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.48Å; M28-L31 PolarHBondContact O-N 3.5Å; L31-R34 PolarHBondContact O-N 2.88Å; L31-T35 WeakPolarHBondContact O-CB 3.49Å; L31-T35 PolarHBondContact O-N 3.38Å; L31-T35 PolarHBondContact O-OG1 2.9Å; L31-Y78 HydrophobicContact CD2-CD1 4.19Å; L31-D81 HydrophobicContact CD1-CB 4.08Å; L31-D81 HydrophobicContact CD2-CB 3.96Å; L31-K82 HydrophobicContact CB-CB 4.27Å; L31-K82 HydrophobicContact CD1-CB 4.24Å; L31-L85 HydrophobicContact CD1-CD2 4.03Å
32	D	98.4	Very high	97.8	Very high	42 Å²	42	76.6 Å²	76.6	23%	0.225	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-57.2	172.1	-80.8	-30.2	0	0	0	110.6	M28 R29 R34 T35 E36 K82	M28-D32 PolarHBondContact O-N 3.07Å; R29-D32 PolarHBondContact O-N 2.89Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 2.92Å; D32-T35 CarbonylContact O-C 3.52Å; D32-T35 WeakPolarHBondContact O-CA 3.44Å; D32-T35 VanDerWaalsContact O-CB 3.27Å; D32-T35 WeakPolarHBondContact O-CB 3.34Å; D32-T35 PolarHBondContact O-N 3.37Å; D32-E36 PolarHBondContact O-N 3.44Å; D32-K82 WeakPolarHBondContact OD1-CD 3.17Å; D32-K82 WeakPolarHBondContact OD1-CE 3.48Å; D32-K82 IonicContact OD1-NZ 3.79Å; D32-K82 PolarHBondContact OD1-NZ 3.32Å; D32-K82 VanDerWaalsContact OD2-CE 3.24Å; D32-K82 WeakPolarHBondContact OD2-CE 3.25Å; D32-K82 IonicContact OD2-NZ 2.82Å; D32-K82 PolarHBondContact OD2-NZ 2.99Å
33	Q	98.4	Very high	98	Very high	107 Å²	107	74.9 Å²	74.9	50%	0.5	35%	0.346	S	S	.	.	H	α-helix	trans	-55.8	-43.2	-179.1	-172.9	62.3	61.2	0	0	112.2	R29 T35 E36 D37	R29-Q33 PolarHBondContact O-N 2.78Å; Q33-T35 VanDerWaalsContact C-N 3.29Å; Q33-T35 PolarHBondContact O-N 3.09Å; Q33-E36 WeakPolarHBondContact CA-OE2 3.27Å; Q33-E36 PolarHBondContact N-OE2 3.35Å; Q33-E36 PolarHBondContact O-N 3.01Å; Q33-D37 PolarHBondContact NE2-OD1 3.47Å; Q33-D37 WeakPolarHBondContact O-CB 3.41Å; Q33-D37 PolarHBondContact O-N 3.48Å
34	R	98.4	Very high	98.1	Very high	111 Å²	111	71.4 Å²	71.4	42%	0.419	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-34.7	176.1	-70.7	172.6	-165.5	169.2	10.8	112.6	E30 L31 D32 K38 Y78	E30-R34 VanDerWaalsContact O-CG 3.23Å; E30-R34 WeakPolarHBondContact O-CG 3.34Å; E30-R34 PolarHBondContact O-N 2.94Å; E30-R34 IonicContact OE2-NH2 3.92Å; E30-R34 PolarHBondContact OE2-NH2 3.19Å; L31-R34 PolarHBondContact O-N 2.88Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 2.92Å; R34-K38 WeakPolarHBondContact O-CG 3.4Å; R34-K38 PolarHBondContact O-N 3.24Å; R34-K38 VanDerWaalsContact O-N 3.09Å; R34-Y78 HydrophobicContact CB-CD2 3.82Å; R34-Y78 HydrophobicContact CB-CE2 3.81Å; R34-Y78 HydrophobicContact CB-CG 4.23Å
35	T	98.5	Very high	98.2	Very high	5 Å²	5	71.8 Å²	71.8	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-69.6	-44.6	175.7	-57.8	0	0	0	0	110.6	L31 D32 Q33 K38 K39 Y78	L31-T35 WeakPolarHBondContact O-CB 3.49Å; L31-T35 PolarHBondContact O-N 3.38Å; L31-T35 PolarHBondContact O-OG1 2.9Å; D32-T35 CarbonylContact O-C 3.52Å; D32-T35 WeakPolarHBondContact O-CA 3.44Å; D32-T35 VanDerWaalsContact O-CB 3.27Å; D32-T35 WeakPolarHBondContact O-CB 3.34Å; D32-T35 PolarHBondContact O-N 3.37Å; Q33-T35 VanDerWaalsContact C-N 3.29Å; Q33-T35 PolarHBondContact O-N 3.09Å; T35-K38 PolarHBondContact O-N 3.39Å; T35-K39 HydrophobicContact CG2-CD 4.4Å; T35-K39 WeakPolarHBondContact O-CG 3.27Å; T35-K39 PolarHBondContact O-N 2.98Å; T35-Y78 VanDerWaalsContact OG1-CB 3.27Å; T35-Y78 WeakPolarHBondContact OG1-CB 3.39Å
36	E	98.4	Very high	98.3	Very high	84 Å²	84	67.8 Å²	67.8	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-46.2	173.3	-83.1	92.6	-126.9	0	0	112	D32 Q33 K38 K39 A40	D32-E36 PolarHBondContact O-N 3.44Å; Q33-E36 WeakPolarHBondContact CA-OE2 3.27Å; Q33-E36 PolarHBondContact N-OE2 3.35Å; Q33-E36 PolarHBondContact O-N 3.01Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.4Å; E36-K39 WeakPolarHBondContact O-CB 3.46Å; E36-K39 PolarHBondContact O-N 3.27Å; E36-K39 VanDerWaalsContact O-N 3.16Å; E36-A40 PolarHBondContact O-N 3.42Å
37	D	98.5	Very high	98.3	Very high	90 Å²	90	66.8 Å²	66.8	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-41.2	177.9	-65.7	-14	0	0	0	111.1	Q33 A40 E41	Q33-D37 PolarHBondContact NE2-OD1 3.47Å; Q33-D37 WeakPolarHBondContact O-CB 3.41Å; Q33-D37 PolarHBondContact O-N 3.48Å; D37-A40 PolarHBondContact O-N 2.84Å; D37-E41 WeakPolarHBondContact O-CB 3.43Å; D37-E41 PolarHBondContact O-N 3.17Å
38	K	98.3	Very high	98.3	Very high	48 Å²	48	68 Å²	68	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-68.5	-37.9	175.5	-73.6	-69.5	161.2	-160.4	0	112.9	R34 T35 E36 E41 I42 K74 C75 Y78	R34-K38 WeakPolarHBondContact O-CG 3.4Å; R34-K38 PolarHBondContact O-N 3.24Å; R34-K38 VanDerWaalsContact O-N 3.09Å; T35-K38 PolarHBondContact O-N 3.39Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.4Å; K38-E41 WeakPolarHBondContact CD-OE2 3.27Å; K38-E41 IonicContact NZ-OE1 2.66Å; K38-E41 IonicContact NZ-OE2 2.78Å; K38-E41 PolarHBondContact NZ-OE2 3.42Å; K38-E41 PolarHBondContact O-N 2.87Å; K38-I42 WeakPolarHBondContact O-CD1 3.1Å; K38-I42 WeakPolarHBondContact O-CG1 3.45Å; K38-I42 PolarHBondContact O-N 2.87Å; K38-K74 HydrophobicContact CD-CB 4.25Å; K38-K74 HydrophobicContact CD-CG 4.33Å; K38-C75 HydrophobicContact CB-CB 3.91Å; K38-Y78 HydrophobicContact CG-CD2 4.02Å; K38-Y78 HydrophobicContact CG-CE2 3.74Å
39	K	98.6	Very high	98.3	Very high	104 Å²	104	69.1 Å²	69.1	45%	0.452	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-46.1	173	-74.4	171.4	179.9	166.8	0	110.9	T35 E36 E41 I42 D43	T35-K39 HydrophobicContact CG2-CD 4.4Å; T35-K39 WeakPolarHBondContact O-CG 3.27Å; T35-K39 PolarHBondContact O-N 2.98Å; E36-K39 WeakPolarHBondContact O-CB 3.46Å; E36-K39 PolarHBondContact O-N 3.27Å; E36-K39 VanDerWaalsContact O-N 3.16Å; K39-E41 VanDerWaalsContact C-N 3.35Å; K39-E41 PolarHBondContact O-N 3.31Å; K39-I42 WeakPolarHBondContact O-CB 3.47Å; K39-I42 PolarHBondContact O-N 3.3Å; K39-D43 PolarHBondContact O-N 3.43Å
40	A	98.6	Very high	98.3	Very high	48 Å²	48	67.2 Å²	67.2	40%	0.397	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-41.7	176.1	0	0	0	0	0	112.2	E36 D37 D43 I44	E36-A40 PolarHBondContact O-N 3.42Å; D37-A40 PolarHBondContact O-N 2.84Å; A40-D43 PolarHBondContact O-N 3.45Å; A40-I44 VanDerWaalsContact O-CG1 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 3.35Å; A40-I44 PolarHBondContact O-N 3.31Å
41	E	98.5	Very high	98.3	Very high	77 Å²	77	68.5 Å²	68.5	36%	0.36	36%	0.36	S	S	.	.	H	α-helix	trans	-60.1	-45.5	173.2	-176.5	-175.2	168.2	0	0	111.8	D37 K38 K39 D43 I44 L45	D37-E41 WeakPolarHBondContact O-CB 3.43Å; D37-E41 PolarHBondContact O-N 3.17Å; K38-E41 WeakPolarHBondContact CD-OE2 3.27Å; K38-E41 IonicContact NZ-OE1 2.66Å; K38-E41 IonicContact NZ-OE2 2.78Å; K38-E41 PolarHBondContact NZ-OE2 3.42Å; K38-E41 PolarHBondContact O-N 2.87Å; K39-E41 VanDerWaalsContact C-N 3.35Å; K39-E41 PolarHBondContact O-N 3.31Å; E41-D43 PolarHBondContact O-N 3.16Å; E41-I44 PolarHBondContact O-N 2.88Å; E41-L45 HydrophobicContact CG-CD1 3.99Å; E41-L45 HydrophobicContact CG-CG 4.42Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 VanDerWaalsContact O-CG 3.26Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 3.44Å
42	I	98.6	Very high	98.3	Very high	20 Å²	20	70 Å²	70	10%	0.103	37%	0.37	C	S	.	.	H	α-helix	trans	-60.4	-45.3	177.1	-69.6	159.4	0	0	0	110.7	K38 K39 I44 L45 A46 A71 Y72 C75	K38-I42 WeakPolarHBondContact O-CD1 3.1Å; K38-I42 WeakPolarHBondContact O-CG1 3.45Å; K38-I42 PolarHBondContact O-N 2.87Å; K39-I42 WeakPolarHBondContact O-CB 3.47Å; K39-I42 PolarHBondContact O-N 3.3Å; I42-I44 PolarHBondContact O-N 3.03Å; I42-L45 PolarHBondContact O-N 3.41Å; I42-A46 WeakPolarHBondContact O-CB 3.33Å; I42-A46 PolarHBondContact O-N 3.29Å; I42-A71 HydrophobicContact CD1-CB 4.34Å; I42-A71 HydrophobicContact CG1-CB 3.63Å; I42-Y72 HydrophobicContact CD1-CD2 4.08Å; I42-Y72 HydrophobicContact CD1-CG 4.48Å; I42-C75 HydrophobicContact CD1-CB 3.95Å
43	D	98.6	Very high	98.2	Very high	112 Å²	112	69.8 Å²	69.8	60%	0.599	37%	0.37	S	S	*	.	H	α-helix	trans	-62.3	-43.5	180	-71.6	-18	0	0	0	111.6	K39 A40 E41 A46 A47	K39-D43 PolarHBondContact O-N 3.43Å; A40-D43 PolarHBondContact O-N 3.45Å; E41-D43 PolarHBondContact O-N 3.16Å; D43-A46 PolarHBondContact O-N 3.01Å; D43-A47 WeakPolarHBondContact O-CB 3.15Å; D43-A47 PolarHBondContact O-N 2.91Å
44	I	98.5	Very high	98.2	Very high	100 Å²	100	74.1 Å²	74.1	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-51.4	175.5	-67.6	165.4	0	0	0	110.4	A40 E41 I42 A46 A47 E48	A40-I44 VanDerWaalsContact O-CG1 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 3.35Å; A40-I44 PolarHBondContact O-N 3.31Å; E41-I44 PolarHBondContact O-N 2.88Å; I42-I44 PolarHBondContact O-N 3.03Å; I44-A46 VanDerWaalsContact C-N 3.3Å; I44-A46 PolarHBondContact O-N 3.24Å; I44-A47 PolarHBondContact O-N 3.12Å; I44-E48 HydrophobicContact CG2-CG 4.49Å; I44-E48 WeakPolarHBondContact O-CG 3.05Å; I44-E48 PolarHBondContact O-N 3Å
45	L	98.1	Very high	98.1	Very high	28 Å²	28	74.5 Å²	74.5	15%	0.147	40%	0.402	C	S	.	.	H	α-helix	trans	-61.7	-38.6	-179.7	-70.4	173.7	0	0	0	112	E41 I42 Y49 K67 I68 A71	E41-L45 HydrophobicContact CG-CD1 3.99Å; E41-L45 HydrophobicContact CG-CG 4.42Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 VanDerWaalsContact O-CG 3.26Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 3.44Å; I42-L45 PolarHBondContact O-N 3.41Å; L45-Y49 VanDerWaalsContact O-CB 3.3Å; L45-Y49 WeakPolarHBondContact O-CB 3.33Å; L45-Y49 PolarHBondContact O-N 3.5Å; L45-K67 HydrophobicContact CD1-CB 4.32Å; L45-I68 HydrophobicContact CB-CD1 4.39Å; L45-I68 HydrophobicContact CB-CG1 3.67Å; L45-I68 HydrophobicContact CD1-CG1 4.37Å; L45-A71 HydrophobicContact CD1-CB 4.47Å
46	A	98.3	Very high	98	Very high	30 Å²	30	75.4 Å²	75.4	25%	0.248	41%	0.407	C	S	.	.	H	α-helix	trans	-66.7	-44.8	176.7	0	0	0	0	0	111.3	I42 D43 I44 Y49 I50	I42-A46 WeakPolarHBondContact O-CB 3.33Å; I42-A46 PolarHBondContact O-N 3.29Å; D43-A46 PolarHBondContact O-N 3.01Å; I44-A46 VanDerWaalsContact C-N 3.3Å; I44-A46 PolarHBondContact O-N 3.24Å; A46-Y49 PolarHBondContact O-N 3.03Å; A46-I50 WeakPolarHBondContact O-CB 3.5Å; A46-I50 WeakPolarHBondContact O-CD1 3.39Å; A46-I50 WeakPolarHBondContact O-CG1 3.4Å; A46-I50 PolarHBondContact O-N 3.31Å
47	A	98.4	Very high	98	Very high	59 Å²	59	73.7 Å²	73.7	49%	0.488	40%	0.404	S	S	.	.	H	α-helix	trans	-62.3	-44.4	176.1	0	0	0	0	0	112.1	D43 I44 I50 S51	D43-A47 WeakPolarHBondContact O-CB 3.15Å; D43-A47 PolarHBondContact O-N 2.91Å; I44-A47 PolarHBondContact O-N 3.12Å; A47-I50 PolarHBondContact O-N 3.32Å; A47-S51 WeakPolarHBondContact O-CB 3.42Å; A47-S51 PolarHBondContact O-N 2.82Å; A47-S51 PolarHBondContact O-OG 3.48Å; A47-S51 VanDerWaalsContact O-OG 3.13Å
48	E	97.7	Very high	97.9	Very high	87 Å²	87	73.9 Å²	73.9	41%	0.407	41%	0.41	S	S	.	.	H	α-helix	trans	-59.5	-45.8	173.5	-75.1	-175.2	175.8	0	0	111.7	I44 S51 T52 R64	I44-E48 HydrophobicContact CG2-CG 4.49Å; I44-E48 WeakPolarHBondContact O-CG 3.05Å; I44-E48 PolarHBondContact O-N 3Å; E48-S51 PolarHBondContact O-N 2.72Å; E48-S51 PolarHBondContact O-OG 3.06Å; E48-T52 WeakPolarHBondContact O-CB 3.42Å; E48-T52 WeakPolarHBondContact O-CG2 3.27Å; E48-T52 PolarHBondContact O-N 2.66Å; E48-T52 VanDerWaalsContact O-N 3.08Å; E48-T52 PolarHBondContact O-OG1 2.85Å; E48-R64 IonicContact OE2-NH1 3.78Å
49	Y	98	Very high	97.9	Very high	47 Å²	47	78 Å²	78	18%	0.184	43%	0.434	C	S	.	.	H	α-helix	trans	-62.6	-48.6	178.6	-179.2	-103.6	0	0	0	111.6	L45 A46 S51 T52 V53 L56 R61 R64 L65 I68	L45-Y49 VanDerWaalsContact O-CB 3.3Å; L45-Y49 WeakPolarHBondContact O-CB 3.33Å; L45-Y49 PolarHBondContact O-N 3.5Å; A46-Y49 PolarHBondContact O-N 3.03Å; Y49-S51 VanDerWaalsContact C-N 3.3Å; Y49-S51 PolarHBondContact O-N 3.18Å; Y49-T52 PolarHBondContact O-N 3.41Å; Y49-V53 HydrophobicContact CE1-CB 4.43Å; Y49-V53 HydrophobicContact CE1-CG2 4.09Å; Y49-V53 HydrophobicContact CE2-CG2 4.29Å; Y49-V53 WeakPolarHBondContact O-CA 3.21Å; Y49-V53 VanDerWaalsContact O-CB 3.26Å; Y49-V53 WeakPolarHBondContact O-CB 3.15Å; Y49-V53 PolarHBondContact O-N 2.95Å; Y49-L56 HydrophobicContact CD2-CD1 4.34Å; Y49-R61 HydrophobicContact CE2-CB 4.14Å; Y49-R61 HydrophobicContact CE2-CG 4.22Å; Y49-R64 HydrophobicContact CD2-CB 3.7Å; Y49-R64 HydrophobicContact CD2-CG 4.41Å; Y49-R64 HydrophobicContact CE2-CB 4.18Å; Y49-L65 HydrophobicContact CE1-CD2 4.12Å; Y49-L65 HydrophobicContact CE2-CD2 4.44Å; Y49-L65 HydrophobicContact CE2-CG 4.13Å; Y49-I68 HydrophobicContact CG-CD1 4.42Å
50	I	98	Very high	97.8	Very high	127 Å²	127	77.2 Å²	77.2	65%	0.651	43%	0.432	S	S	*	.	H	α-helix	trans	-59.9	-41.4	179.9	-69.2	164.3	0	0	0	111.1	A46 A47	A46-I50 WeakPolarHBondContact O-CB 3.5Å; A46-I50 WeakPolarHBondContact O-CD1 3.39Å; A46-I50 WeakPolarHBondContact O-CG1 3.4Å; A46-I50 PolarHBondContact O-N 3.31Å; A47-I50 PolarHBondContact O-N 3.32Å
51	S	97.8	Very high	97.8	Very high	95 Å²	95	79.3 Å²	79.3	66%	0.664	43%	0.43	S	S	*	.	H	α-helix	trans	-71.1	-29.1	-179.9	65.9	0	0	0	0	113.8	A47 E48 Y49	A47-S51 WeakPolarHBondContact O-CB 3.42Å; A47-S51 PolarHBondContact O-N 2.82Å; A47-S51 PolarHBondContact O-OG 3.48Å; A47-S51 VanDerWaalsContact O-OG 3.13Å; E48-S51 PolarHBondContact O-N 2.72Å; E48-S51 PolarHBondContact O-OG 3.06Å; Y49-S51 VanDerWaalsContact C-N 3.3Å; Y49-S51 PolarHBondContact O-N 3.18Å
52	T	97.4	Very high	97.8	Very high	48 Å²	48	80 Å²	80	29%	0.294	44%	0.44	S	S	.	.	H	α-helix	trans	-107.7	-11.1	-173.9	60.2	0	0	0	0	114.7	E48 Y49 K54 T55 L56	E48-T52 WeakPolarHBondContact O-CB 3.42Å; E48-T52 WeakPolarHBondContact O-CG2 3.27Å; E48-T52 PolarHBondContact O-N 2.66Å; E48-T52 VanDerWaalsContact O-N 3.08Å; E48-T52 PolarHBondContact O-OG1 2.85Å; Y49-T52 PolarHBondContact O-N 3.41Å; T52-K54 PolarHBondContact O-N 3.29Å; T52-T55 PolarHBondContact O-N 3.4Å; T52-T55 PolarHBondContact O-OG1 3.46Å; T52-L56 WeakPolarHBondContact O-CG 3.32Å; T52-L56 PolarHBondContact O-N 3.31Å
53	V	97.2	Very high	97.7	Very high	39 Å²	39	83.6 Å²	83.6	24%	0.236	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-36.6	-170.1	65.3	0	0	0	0	114.1	Y49 T55 L56 R61	Y49-V53 HydrophobicContact CE1-CB 4.43Å; Y49-V53 HydrophobicContact CE1-CG2 4.09Å; Y49-V53 HydrophobicContact CE2-CG2 4.29Å; Y49-V53 WeakPolarHBondContact O-CA 3.21Å; Y49-V53 VanDerWaalsContact O-CB 3.26Å; Y49-V53 WeakPolarHBondContact O-CB 3.15Å; Y49-V53 PolarHBondContact O-N 2.95Å; V53-T55 VanDerWaalsContact C-N 3.29Å; V53-T55 PolarHBondContact O-N 3.01Å; V53-L56 PolarHBondContact O-N 2.92Å; V53-R61 VanDerWaalsContact O-CZ 3.25Å; V53-R61 PolarHBondContact O-NE 2.81Å; V53-R61 PolarHBondContact O-NH2 2.71Å
54	K	96.9	Very high	97.6	Very high	197 Å²	197	82.4 Å²	82.4	86%	0.857	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.5	-179.1	-66.9	-175	179.1	178.7	0	113.2	T52	T52-K54 PolarHBondContact O-N 3.29Å
55	T	97.4	Very high	97.6	Very high	120 Å²	120	81.6 Å²	81.6	74%	0.736	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-11.1	-177.8	61.7	0	0	0	0	113.2	T52 V53	T52-T55 PolarHBondContact O-N 3.4Å; T52-T55 PolarHBondContact O-OG1 3.46Å; V53-T55 VanDerWaalsContact C-N 3.29Å; V53-T55 PolarHBondContact O-N 3.01Å
56	L	96.8	Very high	97.6	Very high	24 Å²	24	85.3 Å²	85.3	13%	0.126	46%	0.456	C	S	.	.	S	Bend	trans	-81.7	140.4	-178.4	-64.2	178.4	0	0	0	112.3	Y49 T52 V53 Q60 R61 R64	Y49-L56 HydrophobicContact CD2-CD1 4.34Å; T52-L56 WeakPolarHBondContact O-CG 3.32Å; T52-L56 PolarHBondContact O-N 3.31Å; V53-L56 PolarHBondContact O-N 2.92Å; L56-Q60 HydrophobicContact CB-CB 4.11Å; L56-Q60 HydrophobicContact CD2-CB 4.11Å; L56-R61 HydrophobicContact CB-CG 3.73Å; L56-R61 HydrophobicContact CD1-CG 4.36Å; L56-R61 PolarHBondContact O-NE 2.88Å; L56-R61 PolarHBondContact O-NH2 2.73Å; L56-R64 HydrophobicContact CD1-CG 4.09Å
57	S	97.4	Very high	97.6	Very high	47 Å²	47	87.9 Å²	87.9	33%	0.329	46%	0.461	S	S	.	.			trans	-66.5	160.3	167.7	76.6	0	0	0	0	111.2	D59 Q60 R61	S57-D59 VanDerWaalsContact C-N 3.29Å; S57-D59 PolarHBondContact O-N 2.59Å; S57-Q60 PolarHBondContact O-N 2.94Å; S57-Q60 WeakPolarHBondContact OG-CG 3.18Å; S57-Q60 PolarHBondContact OG-N 3.41Å; S57-R61 WeakPolarHBondContact O-CG 3.25Å; S57-R61 PolarHBondContact O-N 3.35Å
58	P	97.4	Very high	97.6	Very high	95 Å²	95	86.6 Å²	86.6	62%	0.617	45%	0.446	S	S	*	.	H	α-helix	trans	-52.9	-44	176.1	-27.7	36.2	0	0	0	113.3	Q60 R61 V62	P58-Q60 PolarHBondContact O-N 3.37Å; P58-R61 WeakPolarHBondContact O-CB 3.48Å; P58-R61 PolarHBondContact O-N 2.81Å; P58-V62 WeakPolarHBondContact O-CG2 3.34Å; P58-V62 PolarHBondContact O-N 3.41Å
59	D	97.5	Very high	97.6	Very high	133 Å²	133	89 Å²	89	71%	0.711	46%	0.457	S	S	*	.	H	α-helix	trans	-64.3	-42.2	179.6	-59.5	-34	0	0	0	111.9	S57 R61 V62 E63	S57-D59 VanDerWaalsContact C-N 3.29Å; S57-D59 PolarHBondContact O-N 2.59Å; D59-R61 VanDerWaalsContact C-N 3.31Å; D59-R61 PolarHBondContact O-N 3.33Å; D59-V62 PolarHBondContact O-N 2.85Å; D59-E63 PolarHBondContact O-N 3.09Å
60	Q	97.3	Very high	97.6	Very high	88 Å²	88	91.3 Å²	91.3	41%	0.411	47%	0.472	S	S	.	.	H	α-helix	trans	-64	-37	175.5	-71.6	174.1	-26.7	0	0	111.7	L56 S57 P58 E63 R64	L56-Q60 HydrophobicContact CB-CB 4.11Å; L56-Q60 HydrophobicContact CD2-CB 4.11Å; S57-Q60 PolarHBondContact O-N 2.94Å; S57-Q60 WeakPolarHBondContact OG-CG 3.18Å; S57-Q60 PolarHBondContact OG-N 3.41Å; P58-Q60 PolarHBondContact O-N 3.37Å; Q60-E63 PolarHBondContact O-N 3.26Å; Q60-R64 WeakPolarHBondContact O-CG 3.23Å; Q60-R64 PolarHBondContact O-N 2.86Å
61	R	97.8	Very high	97.7	Very high	92 Å²	92	85.4 Å²	85.4	35%	0.347	44%	0.443	S	S	.	.	H	α-helix	trans	-64.2	-42.6	176.1	-68.7	176.9	-171.1	177.8	3.7	111.4	Y49 V53 L56 S57 P58 D59 R64 L65	Y49-R61 HydrophobicContact CE2-CB 4.14Å; Y49-R61 HydrophobicContact CE2-CG 4.22Å; V53-R61 VanDerWaalsContact O-CZ 3.25Å; V53-R61 PolarHBondContact O-NE 2.81Å; V53-R61 PolarHBondContact O-NH2 2.71Å; L56-R61 HydrophobicContact CB-CG 3.73Å; L56-R61 HydrophobicContact CD1-CG 4.36Å; L56-R61 PolarHBondContact O-NE 2.88Å; L56-R61 PolarHBondContact O-NH2 2.73Å; S57-R61 WeakPolarHBondContact O-CG 3.25Å; S57-R61 PolarHBondContact O-N 3.35Å; P58-R61 WeakPolarHBondContact O-CB 3.48Å; P58-R61 PolarHBondContact O-N 2.81Å; D59-R61 VanDerWaalsContact C-N 3.31Å; D59-R61 PolarHBondContact O-N 3.33Å; R61-R64 PolarHBondContact O-N 3.01Å; R61-L65 WeakPolarHBondContact O-CB 3.27Å; R61-L65 WeakPolarHBondContact O-CG 3.44Å; R61-L65 PolarHBondContact O-N 3.47Å
62	V	98	Very high	97.7	Very high	93 Å²	93	88.3 Å²	88.3	56%	0.564	44%	0.44	S	S	*	.	H	α-helix	trans	-61.2	-46.3	175.7	173.7	0	0	0	0	110.4	P58 D59 R64 L65 Q66	P58-V62 WeakPolarHBondContact O-CG2 3.34Å; P58-V62 PolarHBondContact O-N 3.41Å; D59-V62 PolarHBondContact O-N 2.85Å; V62-R64 VanDerWaalsContact C-N 3.34Å; V62-R64 PolarHBondContact O-N 3.29Å; V62-L65 PolarHBondContact O-N 3.43Å; V62-Q66 WeakPolarHBondContact O-CB 3.44Å; V62-Q66 PolarHBondContact O-N 3.46Å
63	E	97.6	Very high	97.8	Very high	94 Å²	94	89.7 Å²	89.7	44%	0.439	45%	0.452	S	S	.	.	H	α-helix	trans	-59.7	-43	178.4	-164.6	-159.6	145.6	0	0	112.2	D59 Q60 Q66 K67	D59-E63 PolarHBondContact O-N 3.09Å; Q60-E63 PolarHBondContact O-N 3.26Å; E63-Q66 PolarHBondContact O-N 3.15Å; E63-K67 PolarHBondContact O-N 2.89Å; E63-K67 VanDerWaalsContact O-N 3.17Å; E63-K67 WeakPolarHBondContact OE1-CE 3.36Å; E63-K67 IonicContact OE1-NZ 3.58Å; E63-K67 PolarHBondContact OE1-NZ 2.6Å
64	R	97.1	Very high	97.8	Very high	88 Å²	88	90.9 Å²	90.9	33%	0.332	45%	0.454	S	S	.	.	H	α-helix	trans	-66.5	-44.4	177.7	-65.5	-70	175.9	169.7	0.7	111.9	E48 Y49 L56 Q60 R61 V62 Q66 K67 I68	E48-R64 IonicContact OE2-NH1 3.78Å; Y49-R64 HydrophobicContact CD2-CB 3.7Å; Y49-R64 HydrophobicContact CD2-CG 4.41Å; Y49-R64 HydrophobicContact CE2-CB 4.18Å; L56-R64 HydrophobicContact CD1-CG 4.09Å; Q60-R64 WeakPolarHBondContact O-CG 3.23Å; Q60-R64 PolarHBondContact O-N 2.86Å; R61-R64 PolarHBondContact O-N 3.01Å; V62-R64 VanDerWaalsContact C-N 3.34Å; V62-R64 PolarHBondContact O-N 3.29Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.27Å; R64-K67 PolarHBondContact O-N 3.26Å; R64-I68 PolarHBondContact O-N 3.26Å; R64-I68 VanDerWaalsContact O-N 3.16Å
65	L	97.7	Very high	97.9	Very high	82 Å²	82	82.1 Å²	82.1	43%	0.429	42%	0.417	S	S	.	.	H	α-helix	trans	-62.8	-37.3	176.1	-74.8	171.8	0	0	0	111.8	Y49 R61 V62 K67 I68 Q69	Y49-L65 HydrophobicContact CE1-CD2 4.12Å; Y49-L65 HydrophobicContact CE2-CD2 4.44Å; Y49-L65 HydrophobicContact CE2-CG 4.13Å; R61-L65 WeakPolarHBondContact O-CB 3.27Å; R61-L65 WeakPolarHBondContact O-CG 3.44Å; R61-L65 PolarHBondContact O-N 3.47Å; V62-L65 PolarHBondContact O-N 3.43Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 2.95Å; L65-I68 PolarHBondContact O-N 3.43Å; L65-Q69 WeakPolarHBondContact O-CB 3.31Å; L65-Q69 PolarHBondContact O-N 3.11Å
66	Q	98.2	Very high	97.9	Very high	106 Å²	106	82.4 Å²	82.4	50%	0.495	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-38.8	176.3	-168.4	177.6	7.4	0	0	111.7	V62 E63 R64 Q69 N70	V62-Q66 WeakPolarHBondContact O-CB 3.44Å; V62-Q66 PolarHBondContact O-N 3.46Å; E63-Q66 PolarHBondContact O-N 3.15Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.27Å; Q66-Q69 PolarHBondContact O-N 3.49Å; Q66-N70 WeakPolarHBondContact O-CB 3.47Å; Q66-N70 PolarHBondContact O-N 3.01Å; Q66-N70 PolarHBondContact O-ND2 3.21Å; Q66-N70 PolarHBondContact O-OD1 2.8Å
67	K	97.9	Very high	98	Very high	85 Å²	85	85.3 Å²	85.3	37%	0.37	42%	0.421	S	S	.	.	H	α-helix	trans	-62.3	-46.8	173.8	-70.4	175.5	-172.5	167.6	0	111.8	L45 E63 R64 L65 Q69 N70 A71	L45-K67 HydrophobicContact CD1-CB 4.32Å; E63-K67 PolarHBondContact O-N 2.89Å; E63-K67 VanDerWaalsContact O-N 3.17Å; E63-K67 WeakPolarHBondContact OE1-CE 3.36Å; E63-K67 IonicContact OE1-NZ 3.58Å; E63-K67 PolarHBondContact OE1-NZ 2.6Å; R64-K67 PolarHBondContact O-N 3.26Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 2.95Å; K67-Q69 PolarHBondContact O-N 3.4Å; K67-N70 PolarHBondContact O-N 2.72Å; K67-A71 PolarHBondContact O-N 2.82Å
68	I	98.3	Very high	98.1	Very high	31 Å²	31	85.1 Å²	85.1	16%	0.159	41%	0.413	C	S	.	.	H	α-helix	trans	-60.6	-45.9	176.4	-63.5	166.3	0	0	0	110.4	L45 Y49 R64 L65 N70 A71 Y72	L45-I68 HydrophobicContact CB-CD1 4.39Å; L45-I68 HydrophobicContact CB-CG1 3.67Å; L45-I68 HydrophobicContact CD1-CG1 4.37Å; Y49-I68 HydrophobicContact CG-CD1 4.42Å; R64-I68 PolarHBondContact O-N 3.26Å; R64-I68 VanDerWaalsContact O-N 3.16Å; L65-I68 PolarHBondContact O-N 3.43Å; I68-N70 PolarHBondContact O-N 3.03Å; I68-A71 PolarHBondContact O-N 3.09Å; I68-Y72 WeakPolarHBondContact O-CB 3.38Å; I68-Y72 PolarHBondContact O-N 2.88Å
69	Q	98.5	Very high	98.1	Very high	137 Å²	137	82.6 Å²	82.6	64%	0.64	40%	0.398	S	S	*	.	H	α-helix	trans	-61.7	-42.6	179.4	-174.2	179.4	12.7	0	0	112.1	L65 Q66 K67 Y72 S73	L65-Q69 WeakPolarHBondContact O-CB 3.31Å; L65-Q69 PolarHBondContact O-N 3.11Å; Q66-Q69 PolarHBondContact O-N 3.49Å; K67-Q69 PolarHBondContact O-N 3.4Å; Q69-Y72 PolarHBondContact O-N 3.33Å; Q69-S73 WeakPolarHBondContact O-CB 3.27Å; Q69-S73 PolarHBondContact O-N 2.99Å
70	N	98.5	Very high	98.2	Very high	96 Å²	96	79.8 Å²	79.8	51%	0.513	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-44	176.7	-69.8	-16.5	0	0	0	111.4	Q66 K67 I68 S73 K74	Q66-N70 WeakPolarHBondContact O-CB 3.47Å; Q66-N70 PolarHBondContact O-N 3.01Å; Q66-N70 PolarHBondContact O-ND2 3.21Å; Q66-N70 PolarHBondContact O-OD1 2.8Å; K67-N70 PolarHBondContact O-N 2.72Å; I68-N70 PolarHBondContact O-N 3.03Å; N70-S73 PolarHBondContact O-N 3.34Å; N70-K74 PolarHBondContact O-N 2.84Å
71	A	98.4	Very high	98.2	Very high	3 Å²	3	78.4 Å²	78.4	3%	0.025	38%	0.379	C	S	.	.	H	α-helix	trans	-62.8	-42.5	176	0	0	0	0	0	111.5	I42 L45 K67 I68 K74 C75	I42-A71 HydrophobicContact CD1-CB 4.34Å; I42-A71 HydrophobicContact CG1-CB 3.63Å; L45-A71 HydrophobicContact CD1-CB 4.47Å; K67-A71 PolarHBondContact O-N 2.82Å; I68-A71 PolarHBondContact O-N 3.09Å; A71-K74 PolarHBondContact O-N 3.09Å; A71-C75 WeakPolarHBondContact O-CB 3.49Å; A71-C75 PolarHBondContact O-N 3.32Å
72	Y	98.4	Very high	98.2	Very high	157 Å²	157	77.3 Å²	77.3	62%	0.616	38%	0.377	S	S	*	.	H	α-helix	trans	-63.7	-43.4	176.3	-156.6	-80.3	0	0	0	112.3	I42 I68 Q69 K74 C75 K76	I42-Y72 HydrophobicContact CD1-CD2 4.08Å; I42-Y72 HydrophobicContact CD1-CG 4.48Å; I68-Y72 WeakPolarHBondContact O-CB 3.38Å; I68-Y72 PolarHBondContact O-N 2.88Å; Q69-Y72 PolarHBondContact O-N 3.33Å; Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.04Å; Y72-C75 WeakPolarHBondContact O-CB 3.42Å; Y72-C75 PolarHBondContact O-N 3.23Å; Y72-K76 PolarHBondContact O-N 3.42Å
73	S	98.6	Very high	98.2	Very high	77 Å²	77	76.8 Å²	76.8	54%	0.538	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-41	175.2	-169.8	0	0	0	0	111.3	Q69 N70 K76 E77	Q69-S73 WeakPolarHBondContact O-CB 3.27Å; Q69-S73 PolarHBondContact O-N 2.99Å; N70-S73 PolarHBondContact O-N 3.34Å; S73-K76 PolarHBondContact O-N 3.32Å; S73-E77 PolarHBondContact O-N 2.84Å
74	K	98.5	Very high	98.2	Very high	64 Å²	64	77.5 Å²	77.5	28%	0.278	38%	0.376	S	S	.	.	H	α-helix	trans	-70.7	-39.7	178	-163.4	73.7	-160.3	168.6	0	112.6	K38 N70 A71 Y72 K76 E77 Y78	K38-K74 HydrophobicContact CD-CB 4.25Å; K38-K74 HydrophobicContact CD-CG 4.33Å; N70-K74 PolarHBondContact O-N 2.84Å; A71-K74 PolarHBondContact O-N 3.09Å; Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.04Å; K74-K76 VanDerWaalsContact C-N 3.28Å; K74-K76 PolarHBondContact O-N 3.42Å; K74-E77 IonicContact NZ-OE1 3.43Å; K74-E77 PolarHBondContact NZ-OE1 2.9Å; K74-E77 IonicContact NZ-OE2 2.59Å; K74-E77 PolarHBondContact NZ-OE2 3.19Å; K74-E77 WeakPolarHBondContact O-CB 3.24Å; K74-E77 PolarHBondContact O-N 2.84Å; K74-Y78 VanDerWaalsContact CE-OH 3.25Å; K74-Y78 WeakPolarHBondContact CE-OH 3.44Å; K74-Y78 HydrophobicContact CG-CD2 4.32Å; K74-Y78 HydrophobicContact CG-CE2 3.68Å; K74-Y78 WeakPolarHBondContact O-CD2 3.46Å; K74-Y78 PolarHBondContact O-N 2.9Å
75	C	98.5	Very high	98.3	Very high	13 Å²	13	74.2 Å²	74.2	9%	0.088	37%	0.365	C	S	.	.	H	α-helix	trans	-58.3	-42.5	172.8	-175.8	0	0	0	0	111.3	K38 I42 A71 Y72 S79	K38-C75 HydrophobicContact CB-CB 3.91Å; I42-C75 HydrophobicContact CD1-CB 3.95Å; A71-C75 WeakPolarHBondContact O-CB 3.49Å; A71-C75 PolarHBondContact O-N 3.32Å; Y72-C75 WeakPolarHBondContact O-CB 3.42Å; Y72-C75 PolarHBondContact O-N 3.23Å; C75-S79 PolarHBondContact O-N 3.5Å; C75-S79 VanDerWaalsContact O-N 3.09Å; C75-S79 PolarHBondContact O-OG 3.22Å
76	K	98.5	Very high	98.3	Very high	125 Å²	125	72.3 Å²	72.3	54%	0.543	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-46.2	175.5	-173.5	-173.6	173.3	-170.3	0	111.5	Y72 S73 K74 Y78 S79 D80	Y72-K76 PolarHBondContact O-N 3.42Å; S73-K76 PolarHBondContact O-N 3.32Å; K74-K76 VanDerWaalsContact C-N 3.28Å; K74-K76 PolarHBondContact O-N 3.42Å; K76-Y78 PolarHBondContact O-N 3.27Å; K76-S79 WeakPolarHBondContact O-CB 3.46Å; K76-S79 PolarHBondContact O-N 3.35Å; K76-S79 VanDerWaalsContact O-N 3.09Å; K76-D80 WeakPolarHBondContact CE-OD2 3.41Å; K76-D80 PolarHBondContact O-N 3.23Å
77	E	98.5	Very high	98.2	Very high	86 Å²	86	72.3 Å²	72.3	40%	0.402	36%	0.363	S	S	.	.	H	α-helix	trans	-54.4	-49.9	176.6	-170.5	-169.5	135.9	0	0	111.6	S73 K74 S79 D80 D81	S73-E77 PolarHBondContact O-N 2.84Å; K74-E77 IonicContact NZ-OE1 3.43Å; K74-E77 PolarHBondContact NZ-OE1 2.9Å; K74-E77 IonicContact NZ-OE2 2.59Å; K74-E77 PolarHBondContact NZ-OE2 3.19Å; K74-E77 WeakPolarHBondContact O-CB 3.24Å; K74-E77 PolarHBondContact O-N 2.84Å; E77-S79 VanDerWaalsContact C-N 3.29Å; E77-S79 PolarHBondContact O-N 3.36Å; E77-D80 PolarHBondContact O-N 2.96Å; E77-D81 VanDerWaalsContact O-CG 3.27Å; E77-D81 PolarHBondContact O-N 3.28Å
78	Y	98.3	Very high	98.1	Very high	42 Å²	42	73.7 Å²	73.7	17%	0.165	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-35	176.6	-63.2	-38.4	0	0	0	113.5	L31 R34 T35 K38 K74 K76 K82	L31-Y78 HydrophobicContact CD2-CD1 4.19Å; R34-Y78 HydrophobicContact CB-CD2 3.82Å; R34-Y78 HydrophobicContact CB-CE2 3.81Å; R34-Y78 HydrophobicContact CB-CG 4.23Å; T35-Y78 VanDerWaalsContact OG1-CB 3.27Å; T35-Y78 WeakPolarHBondContact OG1-CB 3.39Å; K38-Y78 HydrophobicContact CG-CD2 4.02Å; K38-Y78 HydrophobicContact CG-CE2 3.74Å; K74-Y78 VanDerWaalsContact CE-OH 3.25Å; K74-Y78 WeakPolarHBondContact CE-OH 3.44Å; K74-Y78 HydrophobicContact CG-CD2 4.32Å; K74-Y78 HydrophobicContact CG-CE2 3.68Å; K74-Y78 WeakPolarHBondContact O-CD2 3.46Å; K74-Y78 PolarHBondContact O-N 2.9Å; K76-Y78 PolarHBondContact O-N 3.27Å; Y78-K82 WeakPolarHBondContact O-CB 3.26Å; Y78-K82 PolarHBondContact O-N 3.41Å
79	S	98.3	Very high	98	Very high	42 Å²	42	72.6 Å²	72.6	29%	0.294	37%	0.366	S	S	.	.	H	α-helix	trans	-67.8	-42.6	176.2	-56.3	0	0	0	0	111.3	C75 K76 E77 K82 V83	C75-S79 PolarHBondContact O-N 3.5Å; C75-S79 VanDerWaalsContact O-N 3.09Å; C75-S79 PolarHBondContact O-OG 3.22Å; K76-S79 WeakPolarHBondContact O-CB 3.46Å; K76-S79 PolarHBondContact O-N 3.35Å; K76-S79 VanDerWaalsContact O-N 3.09Å; E77-S79 VanDerWaalsContact C-N 3.29Å; E77-S79 PolarHBondContact O-N 3.36Å; S79-K82 PolarHBondContact O-N 3.34Å; S79-V83 WeakPolarHBondContact O-CG2 3.42Å; S79-V83 PolarHBondContact O-N 2.8Å; S79-V83 VanDerWaalsContact O-N 3.11Å
80	D	98.5	Very high	97.8	Very high	74 Å²	74	74 Å²	74	40%	0.396	37%	0.366	S	S	.	.	H	α-helix	trans	-66.1	-42.6	177.6	-69.2	-17.5	0	0	0	110.6	K76 E77 K82 V83 Q84	K76-D80 WeakPolarHBondContact CE-OD2 3.41Å; K76-D80 PolarHBondContact O-N 3.23Å; E77-D80 PolarHBondContact O-N 2.96Å; D80-K82 VanDerWaalsContact C-N 3.31Å; D80-K82 PolarHBondContact O-N 3.23Å; D80-V83 PolarHBondContact O-N 3.37Å; D80-Q84 WeakPolarHBondContact O-CG 3.26Å; D80-Q84 PolarHBondContact O-N 3Å
81	D	98.4	Very high	97.6	Very high	60 Å²	60	75.1 Å²	75.1	32%	0.321	37%	0.368	S	S	.	.	H	α-helix	trans	-58.9	-41.7	174.1	-71.1	-17.6	0	0	0	111.7	L31 E77 Q84 L85	L31-D81 HydrophobicContact CD1-CB 4.08Å; L31-D81 HydrophobicContact CD2-CB 3.96Å; E77-D81 VanDerWaalsContact O-CG 3.27Å; E77-D81 PolarHBondContact O-N 3.28Å; D81-Q84 PolarHBondContact O-N 2.93Å; D81-L85 WeakPolarHBondContact O-CB 3.22Å; D81-L85 PolarHBondContact O-N 3.3Å
82	K	98.1	Very high	97.3	Very high	69 Å²	69	76.2 Å²	76.2	30%	0.3	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-44.3	177.3	-174.1	-168.4	-178.5	-176.7	0	111.3	L31 D32 Y78 S79 D80 Q84 L85 A86	L31-K82 HydrophobicContact CB-CB 4.27Å; L31-K82 HydrophobicContact CD1-CB 4.24Å; D32-K82 WeakPolarHBondContact OD1-CD 3.17Å; D32-K82 WeakPolarHBondContact OD1-CE 3.48Å; D32-K82 IonicContact OD1-NZ 3.79Å; D32-K82 PolarHBondContact OD1-NZ 3.32Å; D32-K82 VanDerWaalsContact OD2-CE 3.24Å; D32-K82 WeakPolarHBondContact OD2-CE 3.25Å; D32-K82 IonicContact OD2-NZ 2.82Å; D32-K82 PolarHBondContact OD2-NZ 2.99Å; Y78-K82 WeakPolarHBondContact O-CB 3.26Å; Y78-K82 PolarHBondContact O-N 3.41Å; S79-K82 PolarHBondContact O-N 3.34Å; D80-K82 VanDerWaalsContact C-N 3.31Å; D80-K82 PolarHBondContact O-N 3.23Å; K82-Q84 VanDerWaalsContact C-N 3.34Å; K82-L85 PolarHBondContact O-N 3.49Å; K82-A86 WeakPolarHBondContact O-CB 3.48Å; K82-A86 PolarHBondContact O-N 3.13Å
83	V	98.3	Very high	97.1	Very high	82 Å²	82	70.8 Å²	70.8	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.5	172	0	0	0	0	110.4	S79 D80 L85 A86 M87	S79-V83 WeakPolarHBondContact O-CG2 3.42Å; S79-V83 PolarHBondContact O-N 2.8Å; S79-V83 VanDerWaalsContact O-N 3.11Å; D80-V83 PolarHBondContact O-N 3.37Å; V83-L85 PolarHBondContact O-N 2.83Å; V83-A86 PolarHBondContact O-N 2.89Å; V83-M87 HydrophobicContact CG1-SD 4.22Å; V83-M87 WeakPolarHBondContact O-CG 3.31Å; V83-M87 PolarHBondContact O-N 3.33Å
84	Q	98	Very high	96.8	Very high	108 Å²	108	69.2 Å²	69.2	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-43.5	177.5	-70.4	179.7	23.3	0	0	112.1	D80 D81 K82 M87 Q88	D80-Q84 WeakPolarHBondContact O-CG 3.26Å; D80-Q84 PolarHBondContact O-N 3Å; D81-Q84 PolarHBondContact O-N 2.93Å; K82-Q84 VanDerWaalsContact C-N 3.34Å; Q84-M87 PolarHBondContact O-N 3.31Å; Q84-Q88 VanDerWaalsContact O-CG 3.31Å; Q84-Q88 WeakPolarHBondContact O-CG 3.39Å; Q84-Q88 PolarHBondContact O-N 2.85Å
85	L	97.8	Very high	96.4	Very high	19 Å²	19	73.6 Å²	73.6	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-63.9	-40.7	177	-179.3	59.8	0	0	0	112	N24 L27 M28 L31 D81 K82 V83 Q88 T89	N24-L85 HydrophobicContact CB-CD1 4.17Å; L27-L85 HydrophobicContact CB-CD2 3.5Å; L27-L85 VanDerWaalsContact CB-CD2 3.5Å; M28-L85 HydrophobicContact CB-CD2 4.32Å; M28-L85 HydrophobicContact CG-CB 4.39Å; M28-L85 HydrophobicContact CG-CD2 3.47Å; M28-L85 VanDerWaalsContact CG-CD2 3.47Å; M28-L85 HydrophobicContact CG-CG 3.81Å; L31-L85 HydrophobicContact CD1-CD2 4.03Å; D81-L85 WeakPolarHBondContact O-CB 3.22Å; D81-L85 PolarHBondContact O-N 3.3Å; K82-L85 PolarHBondContact O-N 3.49Å; V83-L85 PolarHBondContact O-N 2.83Å; L85-Q88 PolarHBondContact O-N 3.29Å; L85-T89 WeakPolarHBondContact O-CB 3.36Å; L85-T89 PolarHBondContact O-N 3.35Å; L85-T89 PolarHBondContact O-OG1 3.25Å
86	A	97.8	Very high	95.9	Very high	43 Å²	43	74.6 Å²	74.6	36%	0.355	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-44.3	175.6	0	0	0	0	0	111.5	M28 K82 V83 T89 Y90	M28-A86 HydrophobicContact SD-CB 4.05Å; K82-A86 WeakPolarHBondContact O-CB 3.48Å; K82-A86 PolarHBondContact O-N 3.13Å; V83-A86 PolarHBondContact O-N 2.89Å; A86-T89 PolarHBondContact O-N 2.92Å; A86-Y90 WeakPolarHBondContact O-CB 3.3Å; A86-Y90 PolarHBondContact O-N 3.42Å
87	M	97.1	Very high	95.4	Very high	106 Å²	106	70.8 Å²	70.8	52%	0.522	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-48.6	175.2	-72.1	179.9	65.9	0	0	111.8	V83 Q84 T89 Y90 E91	V83-M87 HydrophobicContact CG1-SD 4.22Å; V83-M87 WeakPolarHBondContact O-CG 3.31Å; V83-M87 PolarHBondContact O-N 3.33Å; Q84-M87 PolarHBondContact O-N 3.31Å; M87-T89 VanDerWaalsContact C-N 3.28Å; M87-T89 PolarHBondContact O-N 3.47Å; M87-Y90 PolarHBondContact O-N 2.89Å; M87-E91 WeakPolarHBondContact O-CG 3.19Å; M87-E91 PolarHBondContact O-N 3.14Å
88	Q	95.2	Very high	95.1	Very high	114 Å²	114	74.6 Å²	74.6	53%	0.533	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-39.6	177	-72.2	172.8	11.4	0	0	112.1	Q84 L85 M92	Q84-Q88 VanDerWaalsContact O-CG 3.31Å; Q84-Q88 WeakPolarHBondContact O-CG 3.39Å; Q84-Q88 PolarHBondContact O-N 2.85Å; L85-Q88 PolarHBondContact O-N 3.29Å; Q88-M92 VanDerWaalsContact O-CB 3.29Å; Q88-M92 WeakPolarHBondContact O-CB 3.21Å; Q88-M92 PolarHBondContact O-N 2.9Å
89	T	95.8	Very high	94.5	Very high	8 Å²	8	77.7 Å²	77.7	5%	0.049	37%	0.372	C	S	.	.	H	α-helix	trans	-66	-42	177.5	-54.8	0	0	0	0	111.2	L21 N24 M28 L85 A86 M87 M92 V93	L21-T89 HydrophobicContact CD2-CG2 3.56Å; N24-T89 HydrophobicContact CB-CG2 4.15Å; N24-T89 WeakPolarHBondContact CB-OG1 3.46Å; N24-T89 PolarHBondContact ND2-OG1 3.48Å; M28-T89 HydrophobicContact CE-CG2 4.43Å; L85-T89 WeakPolarHBondContact O-CB 3.36Å; L85-T89 PolarHBondContact O-N 3.35Å; L85-T89 PolarHBondContact O-OG1 3.25Å; A86-T89 PolarHBondContact O-N 2.92Å; M87-T89 VanDerWaalsContact C-N 3.28Å; M87-T89 PolarHBondContact O-N 3.47Å; T89-M92 HydrophobicContact CG2-CE 4.2Å; T89-M92 PolarHBondContact O-N 3.36Å; T89-V93 WeakPolarHBondContact O-CG2 3.48Å; T89-V93 PolarHBondContact O-N 2.99Å; T89-V93 VanDerWaalsContact O-N 3.08Å
90	Y	95.2	Very high	94	Very high	167 Å²	167	77.2 Å²	77.2	66%	0.655	37%	0.365	S	S	*	.	H	α-helix	trans	-63.8	-47.8	176	-176.4	-88.5	0	0	0	111.7	A86 M87 M92 V93 D94	A86-Y90 WeakPolarHBondContact O-CB 3.3Å; A86-Y90 PolarHBondContact O-N 3.42Å; M87-Y90 PolarHBondContact O-N 2.89Å; Y90-M92 VanDerWaalsContact C-N 3.3Å; Y90-M92 PolarHBondContact O-N 3.2Å; Y90-V93 PolarHBondContact O-N 2.84Å; Y90-D94 WeakPolarHBondContact O-CB 3.33Å; Y90-D94 PolarHBondContact O-N 2.93Å
91	E	94.3	Very high	93.5	Very high	118 Å²	118	78 Å²	78	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-60.9	-38.8	177.6	-72.4	173.3	-171.1	0	0	112.4	M87 K95	M87-E91 WeakPolarHBondContact O-CG 3.19Å; M87-E91 PolarHBondContact O-N 3.14Å; E91-K95 WeakPolarHBondContact O-CB 3.34Å; E91-K95 PolarHBondContact O-N 2.91Å
92	M	91.6	Very high	93	Very high	26 Å²	26	77.4 Å²	77.4	13%	0.128	37%	0.373	C	S	.	.	H	α-helix	trans	-60	-52.5	173.8	177.3	-173.1	76.6	0	0	110.6	L17 E20 L21 Q88 T89 Y90 D94 K95 H96	L17-M92 HydrophobicContact CD1-CE 3.77Å; L17-M92 HydrophobicContact CD1-CG 4.26Å; L17-M92 HydrophobicContact CD1-SD 4.44Å; E20-M92 HydrophobicContact CB-CE 4.12Å; E20-M92 HydrophobicContact CB-SD 3.67Å; E20-M92 HydrophobicContact CG-SD 4.5Å; L21-M92 HydrophobicContact CD2-CE 3.5Å; L21-M92 HydrophobicContact CG-CE 3.71Å; Q88-M92 VanDerWaalsContact O-CB 3.29Å; Q88-M92 WeakPolarHBondContact O-CB 3.21Å; Q88-M92 PolarHBondContact O-N 2.9Å; T89-M92 HydrophobicContact CG2-CE 4.2Å; T89-M92 PolarHBondContact O-N 3.36Å; Y90-M92 VanDerWaalsContact C-N 3.3Å; Y90-M92 PolarHBondContact O-N 3.2Å; M92-D94 PolarHBondContact O-N 2.89Å; M92-K95 WeakPolarHBondContact O-CB 3.04Å; M92-K95 PolarHBondContact O-N 3.3Å; M92-H96 PolarHBondContact O-CD2 2.86Å; M92-H96 PolarHBondContact O-N 2.95Å; M92-H96 VanDerWaalsContact O-N 3.12Å
93	V	93.1	Very high	92.3	Very high	44 Å²	44	75.7 Å²	75.7	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-45.1	178.7	174	0	0	0	0	111.4	L17 L21 T89 Y90 K95 H96 I97	L17-V93 HydrophobicContact CD1-CG2 4.18Å; L21-V93 HydrophobicContact CD1-CG2 4.36Å; L21-V93 HydrophobicContact CD2-CG2 3.68Å; L21-V93 HydrophobicContact CG-CG2 4.43Å; T89-V93 WeakPolarHBondContact O-CG2 3.48Å; T89-V93 PolarHBondContact O-N 2.99Å; T89-V93 VanDerWaalsContact O-N 3.08Å; Y90-V93 PolarHBondContact O-N 2.84Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 3.06Å; V93-H96 WeakPolarHBondContact O-CB 3.39Å; V93-H96 PolarHBondContact O-N 3.39Å; V93-I97 HydrophobicContact CG1-CD1 3.75Å; V93-I97 HydrophobicContact CG1-CG1 4.36Å; V93-I97 WeakPolarHBondContact O-CG1 3.41Å; V93-I97 PolarHBondContact O-N 2.97Å
94	D	92.7	Very high	91.7	Very high	43 Å²	43	76.2 Å²	76.2	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-58.1	-40.7	176.7	-175	65.3	0	0	0	111.8	Y90 M92 H96 I97 R98	Y90-D94 WeakPolarHBondContact O-CB 3.33Å; Y90-D94 PolarHBondContact O-N 2.93Å; M92-D94 PolarHBondContact O-N 2.89Å; D94-H96 VanDerWaalsContact C-N 3.34Å; D94-H96 PolarHBondContact O-N 3.44Å; D94-I97 PolarHBondContact O-N 3.08Å; D94-R98 WeakPolarHBondContact O-CG 3.42Å; D94-R98 PolarHBondContact O-N 3.2Å; D94-R98 IonicContact OD1-NE 3.96Å; D94-R98 IonicContact OD1-NH2 2.78Å; D94-R98 IonicContact OD2-CZ 3.19Å; D94-R98 IonicContact OD2-NE 2.75Å; D94-R98 PolarHBondContact OD2-NE 3.39Å; D94-R98 IonicContact OD2-NH2 2.6Å; D94-R98 PolarHBondContact OD2-NH2 2.68Å
95	K	89.7	Confident	91.3	Very high	157 Å²	157	73.7 Å²	73.7	68%	0.683	36%	0.364	S	S	*	.	H	α-helix	trans	-62.9	-39.7	174.8	-176.5	-177.8	177.6	-174.6	0	112.3	E91 M92 V93 R99	E91-K95 WeakPolarHBondContact O-CB 3.34Å; E91-K95 PolarHBondContact O-N 2.91Å; M92-K95 WeakPolarHBondContact O-CB 3.04Å; M92-K95 PolarHBondContact O-N 3.3Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 3.06Å; K95-R99 WeakPolarHBondContact O-CB 3.35Å; K95-R99 PolarHBondContact O-N 2.92Å
96	H	87.9	Confident	90.8	Very high	33 Å²	33	81.2 Å²	81.2	15%	0.153	39%	0.391	C	S	.	.	H	α-helix	trans	-66.7	-44.1	174.8	-77.1	-81.4	0	0	0	111.3	S13 L17 M92 V93 D94 R99 L100	S13-H96 PolarHBondContact O-CE1 3.36Å; S13-H96 PolarHBondContact O-ND1 3.35Å; L17-H96 VanDerWaalsContact CD1-CD2 3.46Å; L17-H96 WeakPolarHBondContact CD1-CD2 3.39Å; L17-H96 HydrophobicContact CD2-CB 4.06Å; M92-H96 PolarHBondContact O-CD2 2.86Å; M92-H96 PolarHBondContact O-N 2.95Å; M92-H96 VanDerWaalsContact O-N 3.12Å; V93-H96 WeakPolarHBondContact O-CB 3.39Å; V93-H96 PolarHBondContact O-N 3.39Å; D94-H96 VanDerWaalsContact C-N 3.34Å; D94-H96 PolarHBondContact O-N 3.44Å; H96-R99 PolarHBondContact O-N 3.36Å; H96-L100 WeakPolarHBondContact O-CG 3.4Å; H96-L100 PolarHBondContact O-N 2.97Å
97	I	89.8	Confident	90.1	Very high	45 Å²	45	82.3 Å²	82.3	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-56.1	-53.9	175.7	-68.3	161	0	0	0	110.6	V93 D94 R99 L100 D101 M179	V93-I97 HydrophobicContact CG1-CD1 3.75Å; V93-I97 HydrophobicContact CG1-CG1 4.36Å; V93-I97 WeakPolarHBondContact O-CG1 3.41Å; V93-I97 PolarHBondContact O-N 2.97Å; D94-I97 PolarHBondContact O-N 3.08Å; I97-R99 PolarHBondContact O-N 3.48Å; I97-L100 WeakPolarHBondContact O-CB 3.27Å; I97-L100 PolarHBondContact O-N 3.45Å; I97-D101 WeakPolarHBondContact CG2-OD2 3.35Å; I97-D101 PolarHBondContact O-N 3.34Å; I97-M179 HydrophobicContact CD1-CE 3.55Å; I97-M179 HydrophobicContact CG1-CE 3.99Å; I97-M179 HydrophobicContact CG2-CE 3.81Å
98	R	90.3	Very high	89.7	Confident	166 Å²	166	83.6 Å²	83.6	63%	0.626	39%	0.393	S	S	*	.	H	α-helix	trans	-58.1	-35.2	179.3	-69.2	177.9	-163.3	-129.6	3.8	113.5	D94 A102	D94-R98 WeakPolarHBondContact O-CG 3.42Å; D94-R98 PolarHBondContact O-N 3.2Å; D94-R98 IonicContact OD1-NE 3.96Å; D94-R98 IonicContact OD1-NH2 2.78Å; D94-R98 IonicContact OD2-CZ 3.19Å; D94-R98 IonicContact OD2-NE 2.75Å; D94-R98 PolarHBondContact OD2-NE 3.39Å; D94-R98 IonicContact OD2-NH2 2.6Å; D94-R98 PolarHBondContact OD2-NH2 2.68Å; R98-A102 WeakPolarHBondContact O-CB 3.3Å; R98-A102 PolarHBondContact O-N 2.85Å
99	R	87	Confident	89.4	Confident	108 Å²	108	80.9 Å²	80.9	41%	0.408	39%	0.39	S	S	.	.	H	α-helix	trans	-67.9	-45.7	176.6	-175.2	175.3	-178.3	-176.6	-4.6	110.6	H9 S13 K95 H96 I97 A102 D103	H9-R99 PolarHBondContact NE2-NH2 3.3Å; H9-R99 VanDerWaalsContact NE2-NH2 3.13Å; S13-R99 PolarHBondContact OG-NE 3.39Å; S13-R99 PolarHBondContact OG-NH2 3.02Å; K95-R99 WeakPolarHBondContact O-CB 3.35Å; K95-R99 PolarHBondContact O-N 2.92Å; H96-R99 PolarHBondContact O-N 3.36Å; I97-R99 PolarHBondContact O-N 3.48Å; R99-A102 PolarHBondContact O-N 3.19Å; R99-D103 VanDerWaalsContact O-CG 3.25Å; R99-D103 PolarHBondContact O-N 3.3Å
100	L	86.5	Confident	88.9	Confident	31 Å²	31	83.8 Å²	83.8	16%	0.162	41%	0.405	C	S	.	.	H	α-helix	trans	-62.4	-43.7	176.5	-67	-179.9	0	0	0	111.9	Y10 I14 H96 I97 A102 D103 L104	Y10-L100 HydrophobicContact CD2-CD2 3.38Å; Y10-L100 HydrophobicContact CE2-CD1 4.08Å; Y10-L100 HydrophobicContact CE2-CD2 3.38Å; Y10-L100 HydrophobicContact CE2-CG 4.28Å; Y10-L100 HydrophobicContact CG-CD2 4.32Å; I14-L100 HydrophobicContact CD1-CD1 3.84Å; I14-L100 HydrophobicContact CD1-CD2 4Å; I14-L100 HydrophobicContact CD1-CG 4.49Å; I14-L100 HydrophobicContact CG1-CD1 4.3Å; I14-L100 HydrophobicContact CG1-CD2 4.27Å; H96-L100 WeakPolarHBondContact O-CG 3.4Å; H96-L100 PolarHBondContact O-N 2.97Å; I97-L100 WeakPolarHBondContact O-CB 3.27Å; I97-L100 PolarHBondContact O-N 3.45Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-A102 PolarHBondContact O-N 2.9Å; L100-D103 PolarHBondContact O-N 2.94Å; L100-L104 WeakPolarHBondContact O-CB 3.3Å; L100-L104 VanDerWaalsContact O-CG 3.29Å; L100-L104 WeakPolarHBondContact O-CG 3.01Å; L100-L104 PolarHBondContact O-N 3.06Å
101	D	89.8	Confident	88.3	Confident	90 Å²	90	80 Å²	80	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-61.5	-42.6	176.6	-65.6	-24	0	0	0	111.5	I97 D103 L104 A105	I97-D101 WeakPolarHBondContact CG2-OD2 3.35Å; I97-D101 PolarHBondContact O-N 3.34Å; D101-D103 PolarHBondContact O-N 2.81Å; D101-L104 PolarHBondContact O-N 3.12Å; D101-A105 WeakPolarHBondContact O-CB 3.28Å; D101-A105 PolarHBondContact O-N 2.9Å
102	A	86.9	Confident	88	Confident	49 Å²	49	80.6 Å²	80.6	41%	0.405	40%	0.397	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.4	0	0	0	0	0	112.5	R98 R99 L100 R106	R98-A102 WeakPolarHBondContact O-CB 3.3Å; R98-A102 PolarHBondContact O-N 2.85Å; R99-A102 PolarHBondContact O-N 3.19Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-A102 PolarHBondContact O-N 2.9Å; A102-R106 WeakPolarHBondContact O-CG 3.4Å; A102-R106 PolarHBondContact O-N 3.02Å; A102-R106 VanDerWaalsContact O-N 3.11Å
103	D	84.4	Confident	87.6	Confident	33 Å²	33	84.8 Å²	84.8	18%	0.176	42%	0.42	C	S	.	.	H	α-helix	trans	-69.7	-40.4	176.9	-70.2	-20.8	0	0	0	111.7	H9 R99 L100 D101 R106 F107	H9-D103 VanDerWaalsContact CE1-CG 3.45Å; H9-D103 IonicContact CE1-OD1 3.26Å; H9-D103 PolarHBondContact CE1-OD1 2.99Å; H9-D103 VanDerWaalsContact CE1-OD1 3.26Å; H9-D103 IonicContact CE1-OD2 2.96Å; H9-D103 PolarHBondContact CE1-OD2 3.46Å; H9-D103 IonicContact ND1-OD1 3.53Å; H9-D103 IonicContact ND1-OD2 2.79Å; H9-D103 PolarHBondContact ND1-OD2 3.14Å; R99-D103 VanDerWaalsContact O-CG 3.25Å; R99-D103 PolarHBondContact O-N 3.3Å; L100-D103 PolarHBondContact O-N 2.94Å; D101-D103 PolarHBondContact O-N 2.81Å; D103-R106 PolarHBondContact O-N 2.92Å; D103-F107 WeakPolarHBondContact O-CB 3.46Å; D103-F107 PolarHBondContact O-N 3.3Å
104	L	85.5	Confident	87	Confident	92 Å²	92	88.1 Å²	88.1	48%	0.482	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-47.2	173.8	-74.3	173	0	0	0	111.3	L100 D101 R106 F107 E108	L100-L104 WeakPolarHBondContact O-CB 3.3Å; L100-L104 VanDerWaalsContact O-CG 3.29Å; L100-L104 WeakPolarHBondContact O-CG 3.01Å; L100-L104 PolarHBondContact O-N 3.06Å; D101-L104 PolarHBondContact O-N 3.12Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 3.22Å; L104-F107 WeakPolarHBondContact O-CB 3.35Å; L104-F107 PolarHBondContact O-N 2.9Å; L104-F107 VanDerWaalsContact O-N 3.09Å; L104-E108 WeakPolarHBondContact O-CG 3.31Å; L104-E108 PolarHBondContact O-N 3.23Å
105	A	89.3	Confident	86.2	Confident	55 Å²	55	92.5 Å²	92.5	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-60.8	-39	177.6	0	0	0	0	0	112.4	D101 A109	D101-A105 WeakPolarHBondContact O-CB 3.28Å; D101-A105 PolarHBondContact O-N 2.9Å; A105-A109 PolarHBondContact O-N 2.75Å; A105-A109 VanDerWaalsContact O-N 3.11Å
106	R	87.2	Confident	85.4	Confident	177 Å²	177	90.9 Å²	90.9	67%	0.668	45%	0.446	S	S	*	.	H	α-helix	trans	-64.8	-42.3	173.1	-75.6	177	176.6	-164.9	0.2	111.8	A102 D103 L104 A109 D110	A102-R106 WeakPolarHBondContact O-CG 3.4Å; A102-R106 PolarHBondContact O-N 3.02Å; A102-R106 VanDerWaalsContact O-N 3.11Å; D103-R106 PolarHBondContact O-N 2.92Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 3.22Å; R106-A109 PolarHBondContact O-N 3.47Å; R106-D110 PolarHBondContact O-N 3.39Å
107	F	82.5	Confident	84.2	Confident	67 Å²	67	91.7 Å²	91.7	29%	0.294	46%	0.464	S	S	.	.	H	α-helix	trans	-63.3	-42.6	178.1	177.2	-103.9	0	0	0	112.2	Y6 D103 L104 A109 D110 L111	Y6-F107 HydrophobicContact CD1-CD2 4.19Å; Y6-F107 AromaticContact CD2-CD2 3.79Å; Y6-F107 HydrophobicContact CD2-CD2 3.79Å; Y6-F107 AromaticContact CD2-CE2 3.88Å; Y6-F107 HydrophobicContact CD2-CE2 3.88Å; Y6-F107 HydrophobicContact CE1-CD2 4.21Å; Y6-F107 AromaticContact CE2-CD2 3.84Å; Y6-F107 HydrophobicContact CE2-CD2 3.84Å; Y6-F107 HydrophobicContact CE2-CE2 4.03Å; Y6-F107 HydrophobicContact CG-CD2 4Å; Y6-F107 HydrophobicContact CG-CE2 4.44Å; D103-F107 WeakPolarHBondContact O-CB 3.46Å; D103-F107 PolarHBondContact O-N 3.3Å; L104-F107 WeakPolarHBondContact O-CB 3.35Å; L104-F107 PolarHBondContact O-N 2.9Å; L104-F107 VanDerWaalsContact O-N 3.09Å; F107-A109 VanDerWaalsContact C-N 3.34Å; F107-A109 PolarHBondContact O-N 2.92Å; F107-D110 PolarHBondContact O-N 3.35Å; F107-L111 HydrophobicContact CD1-CD1 3.87Å; F107-L111 HydrophobicContact CD1-CG 4.48Å; F107-L111 HydrophobicContact CE1-CD1 3.27Å; F107-L111 HydrophobicContact CE1-CG 4.09Å; F107-L111 HydrophobicContact CE2-CD1 4.3Å; F107-L111 HydrophobicContact CE2-CG 4.28Å; F107-L111 HydrophobicContact CZ-CD1 3.53Å; F107-L111 HydrophobicContact CZ-CD2 4.28Å; F107-L111 HydrophobicContact CZ-CG 3.98Å; F107-L111 WeakPolarHBondContact O-CG 3.35Å; F107-L111 PolarHBondContact O-N 2.96Å
108	E	88.3	Confident	82.7	Confident	133 Å²	133	93.1 Å²	93.1	62%	0.621	48%	0.477	S	S	*	.	H	α-helix	trans	-61.3	-41.9	174.6	-72.2	-179.4	174.6	0	0	112	L104 L111 K112	L104-E108 WeakPolarHBondContact O-CG 3.31Å; L104-E108 PolarHBondContact O-N 3.23Å; E108-L111 PolarHBondContact O-N 3.03Å; E108-K112 PolarHBondContact O-N 2.78Å
109	A	88.7	Confident	81.1	Confident	57 Å²	57	91.5 Å²	91.5	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-45.3	175.6	0	0	0	0	0	112.3	A105 R106 F107 L111 K112 D113	A105-A109 PolarHBondContact O-N 2.75Å; A105-A109 VanDerWaalsContact O-N 3.11Å; R106-A109 PolarHBondContact O-N 3.47Å; F107-A109 VanDerWaalsContact C-N 3.34Å; F107-A109 PolarHBondContact O-N 2.92Å; A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 PolarHBondContact O-N 3.22Å; A109-K112 PolarHBondContact O-N 2.85Å; A109-D113 PolarHBondContact O-N 2.9Å
110	D	86.3	Confident	79.5	Confident	68 Å²	68	95.1 Å²	95.1	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-65.3	-32.8	178.4	-76	-10.1	0	0	0	112.6	Y6 R106 F107 K114	Y6-D110 PolarHBondContact OH-OD2 3.08Å; R106-D110 PolarHBondContact O-N 3.39Å; F107-D110 PolarHBondContact O-N 3.35Å; D110-K114 WeakPolarHBondContact O-CD 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.29Å; D110-K114 PolarHBondContact O-N 3.12Å
111	L	83.3	Confident	77.9	Confident	88 Å²	88	102.2 Å²	102.2	46%	0.461	53%	0.533	S	S	.	.	H	α-helix	trans	-70.1	-41.1	173.5	-78.3	178.5	0	0	0	111.8	F107 E108 A109 K114 M115	F107-L111 HydrophobicContact CD1-CD1 3.87Å; F107-L111 HydrophobicContact CD1-CG 4.48Å; F107-L111 HydrophobicContact CE1-CD1 3.27Å; F107-L111 HydrophobicContact CE1-CG 4.09Å; F107-L111 HydrophobicContact CE2-CD1 4.3Å; F107-L111 HydrophobicContact CE2-CG 4.28Å; F107-L111 HydrophobicContact CZ-CD1 3.53Å; F107-L111 HydrophobicContact CZ-CD2 4.28Å; F107-L111 HydrophobicContact CZ-CG 3.98Å; F107-L111 WeakPolarHBondContact O-CG 3.35Å; F107-L111 PolarHBondContact O-N 2.96Å; E108-L111 PolarHBondContact O-N 3.03Å; A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 PolarHBondContact O-N 3.22Å; L111-K114 PolarHBondContact O-N 3.25Å; L111-M115 PolarHBondContact O-N 3.35Å
112	K	86.3	Confident	75.9	Confident	130 Å²	130	103 Å²	103	57%	0.565	55%	0.545	S	S	*	.	H	α-helix	trans	-63.9	-44.1	177.9	-172.1	178	177	-177.8	0	111.8	E108 A109 K114 M115 E116	E108-K112 PolarHBondContact O-N 2.78Å; A109-K112 PolarHBondContact O-N 2.85Å; K112-K114 PolarHBondContact O-N 3.34Å; K112-M115 WeakPolarHBondContact O-CB 3.41Å; K112-M115 PolarHBondContact O-N 2.93Å; K112-E116 VanDerWaalsContact CE-OE1 3.24Å; K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 WeakPolarHBondContact O-CG 3.36Å; K112-E116 PolarHBondContact O-N 3.22Å
113	D	84	Confident	74.1	Confident	115 Å²	115	106.5 Å²	106.5	62%	0.615	57%	0.566	S	S	*	*	H	α-helix	trans	-61.6	-41.2	177	-173.8	64.9	0	0	0	112.1	A109 M115 E116 G117	A109-D113 PolarHBondContact O-N 2.9Å; D113-M115 VanDerWaalsContact C-N 3.34Å; D113-M115 PolarHBondContact O-N 3.01Å; D113-E116 PolarHBondContact O-N 3.22Å; D113-G117 PolarHBondContact O-N 3.02Å
114	K	79.9	Confident	71.9	Confident	113 Å²	113	108.7 Å²	108.7	49%	0.491	60%	0.597	S	S	.	*	H	α-helix	trans	-67.5	-32.3	175.7	-73.6	171.2	-172.5	157.6	0	113.4	D110 L111 K112	D110-K114 WeakPolarHBondContact O-CD 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.29Å; D110-K114 PolarHBondContact O-N 3.12Å; L111-K114 PolarHBondContact O-N 3.25Å; K112-K114 PolarHBondContact O-N 3.34Å
115	M	75.5	Confident	69.9	Low	135 Å²	135	107.6 Å²	107.6	67%	0.665	61%	0.608	S	S	*	*	H	α-helix	trans	-68.8	-49.1	175.1	-168.6	71.8	171.6	0	0	110.2	L111 K112 D113 G117 S118	L111-M115 PolarHBondContact O-N 3.35Å; K112-M115 WeakPolarHBondContact O-CB 3.41Å; K112-M115 PolarHBondContact O-N 2.93Å; D113-M115 VanDerWaalsContact C-N 3.34Å; D113-M115 PolarHBondContact O-N 3.01Å; M115-G117 VanDerWaalsContact C-N 3.35Å; M115-G117 PolarHBondContact O-N 3.26Å; M115-S118 PolarHBondContact O-N 3.48Å; M115-S118 PolarHBondContact O-OG 2.73Å
116	E	74	Confident	67.6	Low	124 Å²	124	116.9 Å²	116.9	58%	0.579	63%	0.631	S	S	*	*	H	α-helix	trans	-67.6	-31.6	-179.5	-68.6	179	167.7	0	0	112.7	K112 D113 S118	K112-E116 VanDerWaalsContact CE-OE1 3.24Å; K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 WeakPolarHBondContact O-CG 3.36Å; K112-E116 PolarHBondContact O-N 3.22Å; D113-E116 PolarHBondContact O-N 3.22Å; E116-S118 VanDerWaalsContact C-N 3.32Å; E116-S118 PolarHBondContact O-N 2.85Å
117	G	62.2	Low	65.4	Low	50 Å²	50	112.2 Å²	112.2	52%	0.515	64%	0.638	S	S	.	*	H	α-helix	trans	-71.6	-20.2	176.4	0	0	0	0	0	115	D113 M115	D113-G117 PolarHBondContact O-N 3.02Å; M115-G117 VanDerWaalsContact C-N 3.35Å; M115-G117 PolarHBondContact O-N 3.26Å
118	S	58.4	Low	63.8	Low	74 Å²	74	116.3 Å²	116.3	52%	0.517	66%	0.662	S	S	.	*	H	α-helix	trans	-80.9	-20.9	-177.9	71.7	0	0	0	0	114.1	M115 E116	M115-S118 PolarHBondContact O-N 3.48Å; M115-S118 PolarHBondContact O-OG 2.73Å; E116-S118 VanDerWaalsContact C-N 3.32Å; E116-S118 PolarHBondContact O-N 2.85Å
119	D	58	Low	61.9	Low	133 Å²	133	118.6 Å²	118.6	71%	0.711	67%	0.67	S	S	*	*	S	Bend	trans	-83.7	-11.3	-178.6	-81.3	-40.6	0	0	0	114.1
120	F	53.3	Low	59.6	Low	184 Å²	184	125.9 Å²	125.9	81%	0.807	69%	0.691	S	S	*	*	S	Bend	trans	-88.8	-15.8	-176.1	-162.8	-101.9	0	0	0	115
121	E	52.3	Low	57.5	Low	180 Å²	180	126.7 Å²	126.7	84%	0.841	72%	0.715	S	S	*	*	S	Bend	trans	-96.7	1	-175.1	-78.4	-95	102.3	0	0	114.7
122	S	48.2	Very low	55.5	Low	105 Å²	105	134.2 Å²	134.2	73%	0.734	74%	0.738	S	S	*	*	S	Bend	trans	-108	13.8	-175.2	-160.7	0	0	0	0	116.9
123	S	49.3	Very low	53.4	Low	123 Å²	123	131.8 Å²	131.8	86%	0.86	75%	0.749	S	S	*	*			trans	-110.4	50.1	172.3	-76.7	0	0	0	0	113.7
124	G	38.2	Very low	51.8	Low	80 Å²	80	135 Å²	135	83%	0.825	76%	0.761	S	S	*	*			trans	-96.1	69.9	166.2	0	0	0	0	0	112.1
125	G	41.8	Very low	50.3	Low	68 Å²	68	138.7 Å²	138.7	70%	0.701	78%	0.776	S	S	*	*			trans	-144.4	78.9	-170.2	0	0	0	0	0	115.8
126	R	42.5	Very low	48.9	Very low	250 Å²	250	139.8 Å²	139.8	94%	0.943	78%	0.78	S	S	*	*			trans	22.8	114.4	145.9	-52.7	176.9	-148.4	-154.3	3.3	118.2
127	G	41.5	Very low	47.8	Very low	79 Å²	79	141.1 Å²	141.1	81%	0.814	78%	0.784	S	S	*	*			trans	-172.4	100.6	164.6	0	0	0	0	0	115
128	L	48.4	Very low	47	Very low	153 Å²	153	149.7 Å²	149.7	80%	0.801	80%	0.801	S	S	*	*			trans	-71.2	151.2	-178.7	-98.5	74.3	0	0	0	115
129	K	48.1	Very low	46.3	Very low	181 Å²	181	149.9 Å²	149.9	79%	0.787	82%	0.815	S	S	*	*			trans	81.7	108.6	141.1	-78.1	174.5	175.6	174.1	0	121.2
130	K	39.7	Very low	46.1	Very low	211 Å²	211	148.6 Å²	148.6	92%	0.917	82%	0.816	S	S	*	*				69.8	106.2	114.6	-135.2	-177.3	-170.4	-177.4	0	118.3
131	G	42.8	Very low	45.6	Very low	84 Å²	84	151.5 Å²	151.5	87%	0.866	82%	0.821	S	S	*	*			trans	-159	121.8	161.8	0	0	0	0	0	111.2
132	R	40.7	Very low	45.2	Very low	247 Å²	247	146.4 Å²	146.4	93%	0.932	82%	0.818	S	S	*	*			trans	-110.2	134.4	-166	-173.3	-176.3	-178.3	-173.1	0.8	108.8
133	G	42.8	Very low	45	Very low	78 Å²	78	153.8 Å²	153.8	80%	0.804	83%	0.829	S	S	*	*			trans	-157.6	109.6	173.4	0	0	0	0	0	112.6
134	Q	51.1	Low	44.6	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	83%	0.825	S	S	*	*			trans	-65.7	151.8	173.8	-81.5	170.2	-21.1	0	0	112.3
135	K	46.7	Very low	45	Very low	189 Å²	189	157.7 Å²	157.7	82%	0.822	82%	0.823	S	S	*	*				177.5	126.5	97.1	-157.8	166.2	-177	177.2	0	113.2
136	E	47.7	Very low	45.1	Very low	158 Å²	158	164.3 Å²	164.3	74%	0.738	83%	0.827	S	S	*	*			trans	-7.7	149.2	158.6	-45.9	-168	124.5	0	0	119.7
137	K	50	Low	45	Very low	153 Å²	153	158.2 Å²	158.2	67%	0.665	82%	0.818	S	S	*	*				-174.3	137.9	67	-97.6	-175.3	177.2	170.4	0	113
138	R	45.2	Very low	45.4	Very low	229 Å²	229	159.4 Å²	159.4	86%	0.864	81%	0.814	S	S	*	*			trans	55.8	124.8	136.3	-56.9	178.5	176.7	-163.3	-4.1	117.6
139	G	43.7	Very low	45.2	Very low	79 Å²	79	160.9 Å²	160.9	81%	0.814	82%	0.817	S	S	*	*			cis	137.3	152.4	40.2	0	0	0	0	0	104.9
140	S	53.8	Low	45.4	Very low	105 Å²	105	161.5 Å²	161.5	73%	0.734	82%	0.822	S	S	*	*			cis	-166.8	137.9	15.6	171.1	0	0	0	0	108.1
141	R	43.4	Very low	45.7	Very low	245 Å²	245	157.7 Å²	157.7	93%	0.925	81%	0.812	S	S	*	*			trans	21.1	141.7	136.6	-56.2	169.6	165.7	159.8	-4.4	118.6
142	G	43.2	Very low	46.1	Very low	74 Å²	74	159 Å²	159	76%	0.763	80%	0.803	S	S	*	*			cis	146.1	153.4	9.7	0	0	0	0	0	111.4
143	R	43.8	Very low	46.5	Very low	260 Å²	260	152 Å²	152	98%	0.981	79%	0.79	S	S	*	*			trans	82.5	120.1	142.7	-157.2	176.5	-167.9	167.3	3.1	122.4
144	G	41.7	Very low	46.7	Very low	74 Å²	74	157.4 Å²	157.4	76%	0.763	79%	0.791	S	S	*	*			trans	115.2	152.3	136.1	0	0	0	0	0	115.8
145	R	47.5	Very low	46.3	Very low	211 Å²	211	157.3 Å²	157.3	80%	0.796	79%	0.788	S	S	*	*			cis	175.2	123.6	-16.2	167	-179.7	-179.6	-135	0.5	105.8
146	R	43.8	Very low	46.1	Very low	206 Å²	206	157 Å²	157	78%	0.777	79%	0.787	S	S	*	*			trans	56.2	158	146.5	-64.6	-173.6	-179.8	-149	-2.9	119.4
147	T	40.5	Very low	45.7	Very low	122 Å²	122	157.5 Å²	157.5	75%	0.748	79%	0.787	S	S	*	*			cis	179.7	170.2	-2	27.9	0	0	0	0	107.8
148	S	49.6	Very low	45.4	Very low	105 Å²	105	158.5 Å²	158.5	73%	0.734	79%	0.793	S	S	*	*			trans	91	114.5	158.1	-127.7	0	0	0	0	116.3
149	E	44.4	Very low	45.2	Very low	183 Å²	183	157.2 Å²	157.2	86%	0.855	79%	0.794	S	S	*	*				85.9	116	54.3	-69.7	-160.9	140.2	0	0	115.3
150	E	50.4	Low	44.6	Very low	195 Å²	195	157.4 Å²	157.4	91%	0.911	80%	0.796	S	S	*	*			trans	176	118.6	144.8	-109.2	-177.9	74.4	0	0	107.8
151	D	46.8	Very low	43.7	Very low	130 Å²	130	156.1 Å²	156.1	70%	0.695	80%	0.799	S	S	*	*				91.9	92.3	55.2	-156.6	-92	0	0	0	113.4
152	T	50.7	Low	43.7	Very low	112 Å²	112	150.3 Å²	150.3	69%	0.687	80%	0.796	S	S	*	*				102.6	177.3	101.3	74	0	0	0	0	115.4
153	P	50.3	Low	43.3	Very low	101 Å²	101	155.6 Å²	155.6	66%	0.656	80%	0.801	S	S	*	*				-137.1	-179.2	-94.7	40.6	-18.9	0	0	0	115.2
154	K	46.1	Very low	43.4	Very low	190 Å²	190	152.2 Å²	152.2	83%	0.826	79%	0.794	S	S	*	*			trans	162.4	114.3	133.8	-89.6	166.1	-176.5	174.4	0	116.5
155	K	42.9	Very low	43.2	Very low	182 Å²	182	154.9 Å²	154.9	79%	0.791	80%	0.796	S	S	*	*				69.8	126.4	119	-80	-172.7	176.9	178.6	0	125.2
156	K	42.8	Very low	42.9	Very low	183 Å²	183	152.5 Å²	152.5	80%	0.796	80%	0.798	S	S	*	*			trans	88.3	137.5	141.5	-70.5	175.3	179.1	-177.6	0	117.4
157	K	40.2	Very low	43.1	Very low	169 Å²	169	149.3 Å²	149.3	74%	0.735	80%	0.802	S	S	*	*			cis	-170.1	143.8	13	-127.7	-166.9	170.7	-177.6	0	110.4
158	H	43.5	Very low	43.6	Very low	173 Å²	173	150.3 Å²	150.3	80%	0.801	80%	0.802	S	S	*	*			trans	39.4	136.2	155.6	-64.4	-73.9	0	0	0	121.4
159	K	39.4	Very low	43.4	Very low	202 Å²	202	153.3 Å²	153.3	88%	0.878	81%	0.808	S	S	*	*				-173.5	129.1	57.2	-179.6	176.6	178.1	179.5	0	111.5
160	G	31.5	Very low	43.6	Very low	83 Å²	83	150.6 Å²	150.6	86%	0.856	81%	0.81	S	S	*	*			trans	57.7	118.6	144.9	0	0	0	0	0	121.7
161	G	34.7	Very low	43.5	Very low	79 Å²	79	146.4 Å²	146.4	81%	0.814	80%	0.797	S	S	*	*			trans	163.6	112.7	161	0	0	0	0	0	112.3
162	S	44	Very low	43.5	Very low	123 Å²	123	145.7 Å²	145.7	86%	0.86	79%	0.79	S	S	*	*			trans	-60.8	128.5	-171.6	-167.9	0	0	0	0	114	F164	S162-F164 PolarHBondContact O-N 3.23Å
163	E	35.8	Very low	43.6	Very low	184 Å²	184	146.1 Å²	146.1	86%	0.86	79%	0.794	S	S	*	*			trans	-67.6	114.3	166.1	-74.5	174	80.6	0	0	110.1
164	F	44.9	Very low	43.8	Very low	190 Å²	190	145.4 Å²	145.4	83%	0.833	79%	0.791	S	S	*	*			trans	-164.7	61.8	156	-135.2	-86.3	0	0	0	110.9	S162	S162-F164 PolarHBondContact O-N 3.23Å
165	T	37.6	Very low	44.1	Very low	130 Å²	130	142.4 Å²	142.4	80%	0.798	79%	0.785	S	S	*	*			trans	-147.5	78.4	177	53.7	0	0	0	0	110.4
166	D	42	Very low	44.9	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	78%	0.777	S	S	*	*	S	Bend	trans	-168	56.5	159.4	-107.7	-41.4	0	0	0	112.1
167	T	47.5	Very low	45	Very low	140 Å²	140	137.2 Å²	137.2	86%	0.859	78%	0.777	S	S	*	*	S	Bend	trans	-157.8	10.7	164	-22.8	0	0	0	0	115.9
168	I	50.9	Low	45.9	Very low	143 Å²	143	136.8 Å²	136.8	73%	0.733	78%	0.783	S	S	*	*			trans	-118.3	66.6	-174.3	-48.7	175.7	0	0	0	110.5
169	L	44.3	Very low	46.6	Very low	167 Å²	167	134.1 Å²	134.1	87%	0.874	77%	0.772	S	S	*	*			trans	-149.1	76.6	172.7	-69.6	179	0	0	0	111.7
170	S	48.7	Very low	47.7	Very low	126 Å²	126	129.5 Å²	129.5	88%	0.881	76%	0.762	S	S	*	*			trans	-164.9	59.5	153	-77.5	0	0	0	0	108.7
171	V	49.3	Very low	48.9	Very low	107 Å²	107	128.3 Å²	128.3	65%	0.648	74%	0.738	S	S	*	*			trans	-102.1	115	170.3	-178.5	0	0	0	0	106.6
172	H	46.9	Very low	50.3	Low	116 Å²	116	129 Å²	129	54%	0.537	72%	0.724	S	S	.	*			trans	-71.5	136.8	-179.4	-164.2	-97.6	0	0	0	108.7	S174 D175	H172-S174 PolarHBondContact CE1-OG 2.83Å; H172-S174 VanDerWaalsContact CE1-OG 3.22Å; H172-S174 WeakPolarHBondContact ND1-CB 3.37Å; H172-S174 PolarHBondContact ND1-OG 3.42Å; H172-S174 PolarHBondContact O-N 2.96Å; H172-D175 PolarHBondContact O-N 3.45Å; H172-D175 VanDerWaalsContact O-N 3.12Å
173	P	52.9	Low	51.5	Low	121 Å²	121	129.6 Å²	129.6	79%	0.786	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-1.5	-179.8	-22.3	32.4	0	0	0	115.5
174	S	53.5	Low	53.3	Low	85 Å²	85	128 Å²	128	59%	0.594	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-9.1	178.3	-51.3	0	0	0	0	113.9	H172	H172-S174 PolarHBondContact CE1-OG 2.83Å; H172-S174 VanDerWaalsContact CE1-OG 3.22Å; H172-S174 WeakPolarHBondContact ND1-CB 3.37Å; H172-S174 PolarHBondContact ND1-OG 3.42Å; H172-S174 PolarHBondContact O-N 2.96Å
175	D	53.4	Low	54.6	Low	128 Å²	128	123.1 Å²	123.1	68%	0.684	70%	0.702	S	S	*	*	S	Bend	trans	-93.3	13.3	-174.8	-65.8	-34.7	0	0	0	113.7	H172	H172-D175 PolarHBondContact O-N 3.45Å; H172-D175 VanDerWaalsContact O-N 3.12Å
176	V	58.3	Low	56.6	Low	105 Å²	105	120.4 Å²	120.4	64%	0.636	69%	0.686	S	S	*	*	S	Bend	trans	-113	-8.3	-173.5	178.4	0	0	0	0	113.9
177	L	45.5	Very low	58.7	Low	151 Å²	151	116.2 Å²	116.2	79%	0.791	67%	0.667	S	S	*	*			trans	-145.6	95.6	-170.8	-59.6	174.7	0	0	0	113.4
178	D	59	Low	60.7	Low	160 Å²	160	112.8 Å²	112.8	86%	0.856	64%	0.638	S	S	*	*			trans	-133.5	49.5	150.4	-162.3	27.6	0	0	0	109.9
179	M	58.9	Low	62.6	Low	116 Å²	116	106 Å²	106	57%	0.571	60%	0.604	S	S	*	*	S	Bend	trans	-80.9	123.9	158.6	-160.9	65.6	53.4	0	0	106.2	I97 V181	I97-M179 HydrophobicContact CD1-CE 3.55Å; I97-M179 HydrophobicContact CG1-CE 3.99Å; I97-M179 HydrophobicContact CG2-CE 3.81Å; M179-V181 PolarHBondContact O-N 3.34Å; M179-V181 VanDerWaalsContact O-N 3.14Å
180	P	62.5	Low	64.7	Low	105 Å²	105	100.8 Å²	100.8	68%	0.682	58%	0.576	S	S	*	*			trans	-56.8	125.9	178.6	23.2	-32.4	0	0	0	108.7	D182	P180-D182 PolarHBondContact O-N 3.07Å
181	V	56.1	Low	66.7	Low	58 Å²	58	97 Å²	97	35%	0.352	55%	0.549	S	S	.	.			trans	-44.5	124.6	170.7	170.4	0	0	0	0	108.2	M179 P183 V194	M179-V181 PolarHBondContact O-N 3.34Å; M179-V181 VanDerWaalsContact O-N 3.14Å; V181-P183 WeakPolarHBondContact O-CD 3.39Å; V181-P183 VanDerWaalsContact O-N 3.1Å; V181-V194 HydrophobicContact CB-CG1 4.46Å; V181-V194 HydrophobicContact CG1-CG1 3.43Å; V181-V194 VanDerWaalsContact CG1-CG1 3.43Å; V181-V194 HydrophobicContact CG2-CG1 4.29Å
182	D	64.8	Low	68.4	Low	94 Å²	94	97.1 Å²	97.1	50%	0.503	54%	0.542	S	S	.	.			trans	-49.7	120.8	177.7	-177.4	-26.7	0	0	0	107.9	P180 N184 E185	P180-D182 PolarHBondContact O-N 3.07Å; D182-N184 PolarHBondContact O-N 3.03Å; D182-N184 VanDerWaalsContact OD1-CB 3.27Å; D182-N184 WeakPolarHBondContact OD1-CB 3.45Å; D182-N184 PolarHBondContact OD1-N 3.23Å; D182-E185 HydrophobicContact CB-CB 4.21Å; D182-E185 PolarHBondContact O-N 2.85Å
183	P	68.3	Low	70.1	Confident	135 Å²	135	95.6 Å²	95.6	88%	0.877	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-17.6	-179.6	-26.2	33.9	0	0	0	114	V181	V181-P183 WeakPolarHBondContact O-CD 3.39Å; V181-P183 VanDerWaalsContact O-N 3.1Å
184	N	73.5	Confident	71.7	Confident	151 Å²	151	91.1 Å²	91.1	81%	0.807	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.6	-179.6	-142.7	55	0	0	0	113.6	D182	D182-N184 PolarHBondContact O-N 3.03Å; D182-N184 VanDerWaalsContact OD1-CB 3.27Å; D182-N184 WeakPolarHBondContact OD1-CB 3.45Å; D182-N184 PolarHBondContact OD1-N 3.23Å
185	E	72	Confident	73.2	Confident	87 Å²	87	90.1 Å²	90.1	41%	0.407	50%	0.499	S	S	.	.	S	Bend	trans	-91.5	128	179.2	-162.7	171.9	-173.9	0	0	111.6	D182 T187 V194	D182-E185 HydrophobicContact CB-CB 4.21Å; D182-E185 PolarHBondContact O-N 2.85Å; E185-T187 PolarHBondContact O-N 2.97Å; E185-V194 HydrophobicContact CB-CG1 4.16Å; E185-V194 HydrophobicContact CG-CB 4.43Å; E185-V194 HydrophobicContact CG-CG1 3.83Å; E185-V194 WeakPolarHBondContact OE2-CG1 3.44Å
186	P	80.1	Confident	74.8	Confident	74 Å²	74	89.3 Å²	89.3	48%	0.481	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-66.2	127.9	-178.8	25.3	-33.4	0	0	0	111.6	Y188	P186-Y188 HydrophobicContact CB-CE1 4.48Å; P186-Y188 HydrophobicContact CB-CE2 4.09Å; P186-Y188 HydrophobicContact CG-CE2 3.94Å; P186-Y188 WeakPolarHBondContact CG-OH 3.48Å; P186-Y188 WeakPolarHBondContact O-CD2 3.42Å; P186-Y188 WeakPolarHBondContact O-CE2 3.45Å
187	T	86.9	Confident	76.1	Confident	72 Å²	72	88 Å²	88	44%	0.442	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-86.7	139.5	174.2	61.4	0	0	0	0	111.4	E185 H192	E185-T187 PolarHBondContact O-N 2.97Å; T187-H192 WeakPolarHBondContact CG2-O 3.46Å
188	Y	88.6	Confident	78.3	Confident	68 Å²	68	86.7 Å²	86.7	27%	0.267	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-123.6	-179.7	179.3	-55.9	-78.4	0	0	0	111.2	P186 H192 Q193 M199 W211	P186-Y188 HydrophobicContact CB-CE1 4.48Å; P186-Y188 HydrophobicContact CB-CE2 4.09Å; P186-Y188 HydrophobicContact CG-CE2 3.94Å; P186-Y188 WeakPolarHBondContact CG-OH 3.48Å; P186-Y188 WeakPolarHBondContact O-CD2 3.42Å; P186-Y188 WeakPolarHBondContact O-CE2 3.45Å; Y188-H192 WeakPolarHBondContact O-CA 3.39Å; Y188-H192 PolarHBondContact O-N 3.4Å; Y188-Q193 PolarHBondContact N-O 2.97Å; Y188-Q193 PolarHBondContact O-N 3.22Å; Y188-M199 HydrophobicContact CD2-CE 4.24Å; Y188-M199 HydrophobicContact CG-CE 4.06Å; Y188-W211 HydrophobicContact CD1-CB 3.8Å; Y188-W211 HydrophobicContact CD1-CG 4.27Å; Y188-W211 HydrophobicContact CG-CB 4.12Å
189	C	91.3	Very high	80	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	177.3	174.8	-162.9	0	0	0	0	114.3	C191 W211 H213 C216	C189-C191 PolarHBondContact O-N 3.21Å; C189-W211 WeakPolarHBondContact CA-O 3.35Å; C189-W211 PolarHBondContact N-O 3.18Å; C189-H213 WeakPolarHBondContact CB-ND1 3.42Å; C189-H213 PolarHBondContact SG-N 3.17Å; C189-H213 PolarHBondContact SG-ND1 2.9Å; C189-H213 VanDerWaalsContact SG-ND1 3.36Å; C189-C216 WeakPolarHBondContact SG-CB 3.43Å
190	L	88.6	Confident	81.6	Confident	57 Å²	57	76.5 Å²	76.5	30%	0.298	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.2	175.1	-59.6	169.6	0	0	0	112.3	I209 F212 P230 R231	L190-I209 HydrophobicContact CD2-CD1 3.97Å; L190-F212 HydrophobicContact CD1-CE1 4.48Å; L190-F212 HydrophobicContact CD2-CE1 3.85Å; L190-F212 HydrophobicContact CG-CD1 3.95Å; L190-F212 HydrophobicContact CG-CE1 3.74Å; L190-P230 HydrophobicContact CD1-CG 4.42Å; L190-R231 HydrophobicContact CD2-CG 4.19Å
191	C	90	Very high	83.1	Confident	46 Å²	46	72.7 Å²	72.7	31%	0.311	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-6.5	178.3	60.6	0	0	0	0	113.5	C189 Q193 H213	C189-C191 PolarHBondContact O-N 3.21Å; C191-Q193 HydrophobicContact CB-CG 4.06Å; C191-Q193 PolarHBondContact O-N 3.4Å; C191-H213 PolarHBondContact SG-CE1 3.27Å; C191-H213 PolarHBondContact SG-ND1 3.33Å
192	H	85.6	Confident	85	Confident	110 Å²	110	70.6 Å²	70.6	51%	0.509	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	40.8	-177.4	-62.5	-77.9	0	0	0	112.9	T187 Y188	T187-H192 WeakPolarHBondContact CG2-O 3.46Å; Y188-H192 WeakPolarHBondContact O-CA 3.39Å; Y188-H192 PolarHBondContact O-N 3.4Å
193	Q	82.3	Confident	86.3	Confident	85 Å²	85	70.1 Å²	70.1	40%	0.397	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-109.5	160.6	177.5	-63.9	-61.4	-59.5	0	0	110.2	Y188 C191 Y196	Y188-Q193 PolarHBondContact N-O 2.97Å; Y188-Q193 PolarHBondContact O-N 3.22Å; C191-Q193 HydrophobicContact CB-CG 4.06Å; C191-Q193 PolarHBondContact O-N 3.4Å; Q193-Y196 HydrophobicContact CB-CD1 4.38Å; Q193-Y196 HydrophobicContact CB-CE1 3.79Å; Q193-Y196 HydrophobicContact CG-CE1 4.43Å
194	V	86.7	Confident	87.4	Confident	27 Å²	27	65.3 Å²	65.3	16%	0.164	36%	0.364	C	S	.	.			trans	-59.7	168	173.9	-61.3	0	0	0	0	111.8	V181 E185 Y196 H213	V181-V194 HydrophobicContact CB-CG1 4.46Å; V181-V194 HydrophobicContact CG1-CG1 3.43Å; V181-V194 VanDerWaalsContact CG1-CG1 3.43Å; V181-V194 HydrophobicContact CG2-CG1 4.29Å; E185-V194 HydrophobicContact CB-CG1 4.16Å; E185-V194 HydrophobicContact CG-CB 4.43Å; E185-V194 HydrophobicContact CG-CG1 3.83Å; E185-V194 WeakPolarHBondContact OE2-CG1 3.44Å; V194-Y196 VanDerWaalsContact O-CD1 3.25Å; V194-Y196 WeakPolarHBondContact O-CD1 3.35Å; V194-Y196 PolarHBondContact O-N 3.17Å; V194-H213 PolarHBondContact O-CE1 3.46Å; V194-H213 PolarHBondContact O-NE2 3.39Å
195	S	86	Confident	88.1	Confident	64 Å²	64	63.4 Å²	63.4	45%	0.448	36%	0.36	S	S	.	.			trans	-66	121.7	174.9	54.8	0	0	0	0	110.8	M199	S195-M199 WeakPolarHBondContact CA-SD 3.36Å; S195-M199 WeakPolarHBondContact CB-SD 3.22Å
196	Y	85.1	Confident	88.9	Confident	110 Å²	110	65.8 Å²	65.8	43%	0.431	38%	0.375	S	S	.	.			trans	-144.2	147.4	173.6	65.7	-98.1	0	0	0	111.2	Q193 V194 H213	Q193-Y196 HydrophobicContact CB-CD1 4.38Å; Q193-Y196 HydrophobicContact CB-CE1 3.79Å; Q193-Y196 HydrophobicContact CG-CE1 4.43Å; V194-Y196 VanDerWaalsContact O-CD1 3.25Å; V194-Y196 WeakPolarHBondContact O-CD1 3.35Å; V194-Y196 PolarHBondContact O-N 3.17Å; Y196-H213 AromaticContact CD1-CD2 3.77Å; Y196-H213 AromaticContact CD1-CE1 3.79Å; Y196-H213 AromaticContact CD1-NE2 3.26Å; Y196-H213 VanDerWaalsContact CD1-NE2 3.26Å; Y196-H213 WeakPolarHBondContact CD1-NE2 3.4Å; Y196-H213 AromaticContact CE1-CD2 3.73Å; Y196-H213 AromaticContact CE1-CE1 3.3Å; Y196-H213 WeakPolarHBondContact CE1-CE1 3.36Å; Y196-H213 AromaticContact CE1-CG 3.97Å; Y196-H213 AromaticContact CE1-ND1 3.78Å; Y196-H213 AromaticContact CE1-NE2 3.26Å; Y196-H213 VanDerWaalsContact CE1-NE2 3.26Å; Y196-H213 WeakPolarHBondContact CE1-NE2 3.37Å; Y196-H213 HydrophobicContact CE2-CB 4.48Å; Y196-H213 AromaticContact CG-CD2 3.93Å; Y196-H213 AromaticContact CG-NE2 3.85Å; Y196-H213 AromaticContact CZ-CD2 3.86Å; Y196-H213 AromaticContact CZ-CE1 3.83Å; Y196-H213 AromaticContact CZ-CG 3.78Å; Y196-H213 AromaticContact CZ-ND1 3.82Å; Y196-H213 AromaticContact CZ-NE2 3.86Å; Y196-H213 PolarHBondContact O-CD2 2.87Å
197	G	87.6	Confident	89.4	Confident	78 Å²	78	62.5 Å²	62.5	80%	0.804	35%	0.354	S	S	*	.	S	Bend	trans	59.5	-149.8	179.9	0	0	0	0	0	113.8
198	E	91.1	Very high	89.5	Confident	124 Å²	124	64.5 Å²	64.5	58%	0.579	37%	0.368	S	S	*	.	S	Bend	trans	-79.3	131.2	176.9	-64.2	-171.6	117.5	0	0	111.2	F214	E198-F214 HydrophobicContact CB-CB 4.08Å; E198-F214 HydrophobicContact CB-CD1 3.76Å; E198-F214 HydrophobicContact CB-CD2 3.66Å; E198-F214 HydrophobicContact CB-CE1 3.98Å; E198-F214 HydrophobicContact CB-CE2 3.9Å; E198-F214 HydrophobicContact CB-CG 3.59Å; E198-F214 HydrophobicContact CB-CZ 4.06Å; E198-F214 HydrophobicContact CG-CD2 4.42Å; E198-F214 HydrophobicContact CG-CE2 4.46Å; E198-F214 WeakPolarHBondContact O-CD1 3.43Å; E198-F214 PolarHBondContact O-N 3.01Å; E198-F214 VanDerWaalsContact OE2-CD2 3.28Å; E198-F214 WeakPolarHBondContact OE2-CD2 3.4Å; E198-F214 WeakPolarHBondContact OE2-CE2 3.27Å
199	M	93.3	Very high	89.5	Confident	44 Å²	44	62.6 Å²	62.6	22%	0.217	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.3	178.2	-61.7	-174.7	81.9	0	0	111.8	Y188 S195 W211 F212	Y188-M199 HydrophobicContact CD2-CE 4.24Å; Y188-M199 HydrophobicContact CG-CE 4.06Å; S195-M199 WeakPolarHBondContact CA-SD 3.36Å; S195-M199 WeakPolarHBondContact CB-SD 3.22Å; M199-W211 HydrophobicContact CB-CE3 4.22Å; M199-W211 HydrophobicContact CE-CB 3.79Å; M199-F212 CarbonylContact C-O 3.48Å; M199-F212 WeakPolarHBondContact CA-O 3.37Å
200	I	94.2	Very high	89.5	Confident	17 Å²	17	67.8 Å²	67.8	9%	0.087	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.5	175.7	-170.5	161.3	0	0	0	110.8	W211 F212 F214 V217 L219 P223 W227	I200-W211 WeakPolarHBondContact O-CA 3.46Å; I200-F212 HydrophobicContact CG2-CB 4.14Å; I200-F212 PolarHBondContact N-O 3.09Å; I200-F212 PolarHBondContact O-N 3.49Å; I200-F214 HydrophobicContact CB-CD1 4.25Å; I200-F214 HydrophobicContact CB-CE1 3.84Å; I200-F214 HydrophobicContact CG2-CD1 4.45Å; I200-V217 HydrophobicContact CG2-CG2 4Å; I200-L219 HydrophobicContact CB-CD1 4.19Å; I200-L219 HydrophobicContact CD1-CD1 3.57Å; I200-L219 HydrophobicContact CG1-CD1 4.48Å; I200-L219 HydrophobicContact CG2-CD1 3.67Å; I200-P223 VanDerWaalsContact CD1-CD 3.45Å; I200-P223 HydrophobicContact CD1-CG 3.35Å; I200-W227 HydrophobicContact CB-CE3 4.36Å; I200-W227 HydrophobicContact CB-CZ3 4.43Å; I200-W227 HydrophobicContact CD1-CB 3.69Å; I200-W227 HydrophobicContact CD1-CD2 3.51Å; I200-W227 HydrophobicContact CD1-CE3 3.85Å; I200-W227 HydrophobicContact CD1-CG 3.43Å; I200-W227 VanDerWaalsContact CD1-CG 3.43Å; I200-W227 HydrophobicContact CG1-CB 4.42Å; I200-W227 HydrophobicContact CG1-CD2 3.9Å; I200-W227 HydrophobicContact CG1-CE3 3.67Å; I200-W227 HydrophobicContact CG1-CG 4.24Å; I200-W227 HydrophobicContact CG1-CZ3 4.21Å; I200-W227 HydrophobicContact CG2-CD2 4.16Å; I200-W227 HydrophobicContact CG2-CE3 3.86Å; I200-W227 HydrophobicContact CG2-CH2 3.58Å; I200-W227 HydrophobicContact CG2-CZ2 3.9Å; I200-W227 HydrophobicContact CG2-CZ3 3.56Å
201	G	94	Very high	89.8	Confident	26 Å²	26	70.7 Å²	70.7	27%	0.268	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136	172.7	0	0	0	0	0	111.4	E210	G201-E210 CarbonylContact C-O 3.45Å; G201-E210 VanDerWaalsContact CA-O 3.27Å; G201-E210 WeakPolarHBondContact CA-O 3.29Å
202	C	94.5	Very high	90	Very high	14 Å²	14	68.5 Å²	68.5	10%	0.095	38%	0.379	C	S	.	.			trans	-75.9	123	171.5	-175.8	0	0	0	0	109.9	N204 C207 E210 F212 W227 C229 C232	C202-N204 PolarHBondContact O-N 3.36Å; C202-C207 HydrophobicContact CB-CB 4.06Å; C202-E210 PolarHBondContact N-O 2.99Å; C202-F212 HydrophobicContact CB-CD2 4.44Å; C202-F212 HydrophobicContact CB-CE2 3.9Å; C202-W227 HydrophobicContact CB-CE3 4.44Å; C202-W227 HydrophobicContact CB-CZ3 4.08Å; C202-C229 HydrophobicContact CB-CB 4.21Å; C202-C229 PolarHBondContact SG-N 3.25Å; C202-C232 VanDerWaalsContact SG-SG 3.66Å
203	D	93.7	Very high	90.3	Very high	83 Å²	83	63.3 Å²	63.3	44%	0.444	36%	0.355	S	S	.	.	S	Bend	trans	-72.5	8.5	179	-72.2	-65.2	0	0	0	114.2	K226 W227 F228	D203-K226 HydrophobicContact CB-CB 4.26Å; D203-K226 WeakPolarHBondContact OD2-CA 3.43Å; D203-W227 WeakPolarHBondContact CB-O 3.42Å; D203-W227 PolarHBondContact N-O 3.29Å; D203-W227 PolarHBondContact OD2-N 3.42Å; D203-F228 HydrophobicContact CB-CD1 4.4Å; D203-F228 HydrophobicContact CB-CE1 3.91Å; D203-F228 HydrophobicContact CB-CZ 4.2Å
204	N	89.9	Confident	90.8	Very high	34 Å²	34	60.1 Å²	60.1	18%	0.182	34%	0.34	C	S	.	.			trans	-88.2	115.4	173.2	-172.1	54.9	0	0	0	109.1	C202 D206 C207 F228 C232	C202-N204 PolarHBondContact O-N 3.36Å; N204-D206 PolarHBondContact O-N 2.65Å; N204-D206 VanDerWaalsContact O-N 3.16Å; N204-C207 HydrophobicContact CB-CB 4.22Å; N204-C207 PolarHBondContact ND2-N 2.79Å; N204-C207 WeakPolarHBondContact O-CB 3.45Å; N204-C207 PolarHBondContact O-N 2.96Å; N204-F228 HydrophobicContact CB-CD1 3.96Å; N204-F228 HydrophobicContact CB-CE1 4.21Å; N204-C232 HydrophobicContact CB-CB 4.1Å; N204-C232 PolarHBondContact ND2-SG 3.03Å; N204-C232 VanDerWaalsContact ND2-SG 3.38Å
205	P	88.8	Confident	91	Very high	112 Å²	112	62.6 Å²	62.6	73%	0.727	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-24.2	-178.6	26.5	-34.9	0	0	0	112.7	C207	P205-C207 VanDerWaalsContact C-N 3.31Å; P205-C207 PolarHBondContact O-N 3.26Å
206	D	89.4	Confident	91.1	Very high	137 Å²	137	61.6 Å²	61.6	73%	0.733	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	20.5	176.4	-49.5	-52.7	0	0	0	112.7	N204 P208	N204-D206 PolarHBondContact O-N 2.65Å; N204-D206 VanDerWaalsContact O-N 3.16Å; D206-P208 WeakPolarHBondContact O-CD 3.32Å
207	C	90.3	Very high	91.5	Very high	4 Å²	4	57.2 Å²	57.2	3%	0.027	34%	0.34	C	S	.	.			trans	-79.8	121.8	178.9	-166.3	0	0	0	0	110.4	C202 N204 P205 I209 E210 C229 C232	C202-C207 HydrophobicContact CB-CB 4.06Å; N204-C207 HydrophobicContact CB-CB 4.22Å; N204-C207 PolarHBondContact ND2-N 2.79Å; N204-C207 WeakPolarHBondContact O-CB 3.45Å; N204-C207 PolarHBondContact O-N 2.96Å; P205-C207 VanDerWaalsContact C-N 3.31Å; P205-C207 PolarHBondContact O-N 3.26Å; C207-I209 VanDerWaalsContact C-N 3.29Å; C207-I209 PolarHBondContact O-N 3.13Å; C207-E210 VanDerWaalsContact O-CG 3.27Å; C207-E210 WeakPolarHBondContact O-CG 3.41Å; C207-C229 VanDerWaalsContact SG-SG 3.66Å; C207-C232 VanDerWaalsContact SG-SG 3.6Å
208	P	88.1	Confident	91.6	Very high	115 Å²	115	60.6 Å²	60.6	75%	0.747	34%	0.34	S	S	*	.	S	Bend	trans	-71.6	-19.1	-176.6	26.8	-35	0	0	0	114.8	D206	D206-P208 WeakPolarHBondContact O-CD 3.32Å
209	I	88	Confident	91.6	Very high	27 Å²	27	56.2 Å²	56.2	14%	0.138	32%	0.32	C	S	.	.	S	Bend	trans	-103.5	-31.1	-176.4	-62.2	171.5	0	0	0	111.3	L190 C207 W211 F212	L190-I209 HydrophobicContact CD2-CD1 3.97Å; C207-I209 VanDerWaalsContact C-N 3.29Å; C207-I209 PolarHBondContact O-N 3.13Å; I209-W211 WeakPolarHBondContact CG2-O 3.49Å; I209-W211 PolarHBondContact O-N 3.36Å; I209-F212 HydrophobicContact CB-CE1 4.19Å; I209-F212 HydrophobicContact CB-CE2 4.3Å; I209-F212 HydrophobicContact CB-CZ 3.69Å; I209-F212 HydrophobicContact CD1-CE1 4.08Å; I209-F212 HydrophobicContact CD1-CZ 4.22Å; I209-F212 HydrophobicContact CG2-CD1 4.46Å; I209-F212 HydrophobicContact CG2-CE1 3.88Å; I209-F212 HydrophobicContact CG2-CE2 4.21Å; I209-F212 HydrophobicContact CG2-CZ 3.74Å
210	E	92	Very high	91.3	Very high	110 Å²	110	60.1 Å²	60.1	51%	0.514	35%	0.347	S	S	.	.			trans	60.5	-47.7	-177.6	-55.9	-174.4	173.9	0	0	115.8	G201 C202 C207	G201-E210 CarbonylContact C-O 3.45Å; G201-E210 VanDerWaalsContact CA-O 3.27Å; G201-E210 WeakPolarHBondContact CA-O 3.29Å; C202-E210 PolarHBondContact N-O 2.99Å; C207-E210 VanDerWaalsContact O-CG 3.27Å; C207-E210 WeakPolarHBondContact O-CG 3.41Å
211	W	94.4	Very high	91.1	Very high	117 Å²	117	64 Å²	64	44%	0.443	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.3	-171	-67.8	95.7	0	0	0	113.4	Y188 C189 M199 I200 I209	Y188-W211 HydrophobicContact CD1-CB 3.8Å; Y188-W211 HydrophobicContact CD1-CG 4.27Å; Y188-W211 HydrophobicContact CG-CB 4.12Å; C189-W211 WeakPolarHBondContact CA-O 3.35Å; C189-W211 PolarHBondContact N-O 3.18Å; M199-W211 HydrophobicContact CB-CE3 4.22Å; M199-W211 HydrophobicContact CE-CB 3.79Å; I200-W211 WeakPolarHBondContact O-CA 3.46Å; I209-W211 WeakPolarHBondContact CG2-O 3.49Å; I209-W211 PolarHBondContact O-N 3.36Å
212	F	95	Very high	90.9	Very high	0 Å²	0	71 Å²	71	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.3	-175.5	-59.9	-95.2	0	0	0	111.2	L190 M199 I200 C202 I209 V217 W227 C229	L190-F212 HydrophobicContact CD1-CE1 4.48Å; L190-F212 HydrophobicContact CD2-CE1 3.85Å; L190-F212 HydrophobicContact CG-CD1 3.95Å; L190-F212 HydrophobicContact CG-CE1 3.74Å; M199-F212 CarbonylContact C-O 3.48Å; M199-F212 WeakPolarHBondContact CA-O 3.37Å; I200-F212 HydrophobicContact CG2-CB 4.14Å; I200-F212 PolarHBondContact N-O 3.09Å; I200-F212 PolarHBondContact O-N 3.49Å; C202-F212 HydrophobicContact CB-CD2 4.44Å; C202-F212 HydrophobicContact CB-CE2 3.9Å; I209-F212 HydrophobicContact CB-CE1 4.19Å; I209-F212 HydrophobicContact CB-CE2 4.3Å; I209-F212 HydrophobicContact CB-CZ 3.69Å; I209-F212 HydrophobicContact CD1-CE1 4.08Å; I209-F212 HydrophobicContact CD1-CZ 4.22Å; I209-F212 HydrophobicContact CG2-CD1 4.46Å; I209-F212 HydrophobicContact CG2-CE1 3.88Å; I209-F212 HydrophobicContact CG2-CE2 4.21Å; I209-F212 HydrophobicContact CG2-CZ 3.74Å; F212-V217 HydrophobicContact CB-CG1 3.75Å; F212-V217 HydrophobicContact CB-CG2 4.35Å; F212-V217 HydrophobicContact CD1-CG1 4.03Å; F212-V217 HydrophobicContact CG-CG1 4.11Å; F212-W227 HydrophobicContact CB-CH2 3.95Å; F212-W227 HydrophobicContact CB-CZ3 4.48Å; F212-W227 AromaticContact CD2-CH2 3.72Å; F212-W227 HydrophobicContact CD2-CH2 3.72Å; F212-W227 AromaticContact CD2-CZ3 3.69Å; F212-W227 HydrophobicContact CD2-CZ3 3.69Å; F212-W227 HydrophobicContact CE2-CH2 4.47Å; F212-W227 HydrophobicContact CE2-CZ3 4.33Å; F212-W227 AromaticContact CG-CH2 3.86Å; F212-W227 HydrophobicContact CG-CH2 3.86Å; F212-W227 HydrophobicContact CG-CZ3 4.28Å; F212-C229 HydrophobicContact CD1-CB 4.35Å; F212-C229 HydrophobicContact CD2-CB 3.92Å; F212-C229 HydrophobicContact CE1-CB 3.85Å; F212-C229 HydrophobicContact CE2-CB 3.38Å; F212-C229 HydrophobicContact CG-CB 4.39Å; F212-C229 HydrophobicContact CZ-CB 3.33Å; F212-C229 VanDerWaalsContact CZ-SG 3.57Å
213	H	92.8	Very high	90.7	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.005	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.4	173.8	-48.5	103.4	0	0	0	110.8	C189 C191 V194 Y196 A215 C216 V217	C189-H213 WeakPolarHBondContact CB-ND1 3.42Å; C189-H213 PolarHBondContact SG-N 3.17Å; C189-H213 PolarHBondContact SG-ND1 2.9Å; C189-H213 VanDerWaalsContact SG-ND1 3.36Å; C191-H213 PolarHBondContact SG-CE1 3.27Å; C191-H213 PolarHBondContact SG-ND1 3.33Å; V194-H213 PolarHBondContact O-CE1 3.46Å; V194-H213 PolarHBondContact O-NE2 3.39Å; Y196-H213 AromaticContact CD1-CD2 3.77Å; Y196-H213 AromaticContact CD1-CE1 3.79Å; Y196-H213 AromaticContact CD1-NE2 3.26Å; Y196-H213 VanDerWaalsContact CD1-NE2 3.26Å; Y196-H213 WeakPolarHBondContact CD1-NE2 3.4Å; Y196-H213 AromaticContact CE1-CD2 3.73Å; Y196-H213 AromaticContact CE1-CE1 3.3Å; Y196-H213 WeakPolarHBondContact CE1-CE1 3.36Å; Y196-H213 AromaticContact CE1-CG 3.97Å; Y196-H213 AromaticContact CE1-ND1 3.78Å; Y196-H213 AromaticContact CE1-NE2 3.26Å; Y196-H213 VanDerWaalsContact CE1-NE2 3.26Å; Y196-H213 WeakPolarHBondContact CE1-NE2 3.37Å; Y196-H213 HydrophobicContact CE2-CB 4.48Å; Y196-H213 AromaticContact CG-CD2 3.93Å; Y196-H213 AromaticContact CG-NE2 3.85Å; Y196-H213 AromaticContact CZ-CD2 3.86Å; Y196-H213 AromaticContact CZ-CE1 3.83Å; Y196-H213 AromaticContact CZ-CG 3.78Å; Y196-H213 AromaticContact CZ-ND1 3.82Å; Y196-H213 AromaticContact CZ-NE2 3.86Å; Y196-H213 PolarHBondContact O-CD2 2.87Å; H213-A215 VanDerWaalsContact C-N 3.28Å; H213-A215 PolarHBondContact O-N 2.93Å; H213-C216 HydrophobicContact CB-CB 4.14Å; H213-C216 PolarHBondContact O-N 3.36Å; H213-V217 WeakPolarHBondContact O-CG2 3.44Å; H213-V217 PolarHBondContact O-N 3.03Å
214	F	92.5	Very high	90.4	Very high	18 Å²	18	78.7 Å²	78.7	8%	0.079	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-51.2	-48.2	177.5	-91.8	40.7	0	0	0	111.9	E198 I200 C216 V217 D218 L219 K222	E198-F214 HydrophobicContact CB-CB 4.08Å; E198-F214 HydrophobicContact CB-CD1 3.76Å; E198-F214 HydrophobicContact CB-CD2 3.66Å; E198-F214 HydrophobicContact CB-CE1 3.98Å; E198-F214 HydrophobicContact CB-CE2 3.9Å; E198-F214 HydrophobicContact CB-CG 3.59Å; E198-F214 HydrophobicContact CB-CZ 4.06Å; E198-F214 HydrophobicContact CG-CD2 4.42Å; E198-F214 HydrophobicContact CG-CE2 4.46Å; E198-F214 WeakPolarHBondContact O-CD1 3.43Å; E198-F214 PolarHBondContact O-N 3.01Å; E198-F214 VanDerWaalsContact OE2-CD2 3.28Å; E198-F214 WeakPolarHBondContact OE2-CD2 3.4Å; E198-F214 WeakPolarHBondContact OE2-CE2 3.27Å; I200-F214 HydrophobicContact CB-CD1 4.25Å; I200-F214 HydrophobicContact CB-CE1 3.84Å; I200-F214 HydrophobicContact CG2-CD1 4.45Å; F214-C216 VanDerWaalsContact C-N 3.29Å; F214-C216 PolarHBondContact O-N 3.11Å; F214-V217 CarbonylContact O-C 3.53Å; F214-V217 PolarHBondContact O-N 2.61Å; F214-D218 PolarHBondContact O-N 3.5Å; F214-L219 CarbonylContact C-O 3.37Å; F214-L219 HydrophobicContact CB-CB 4.21Å; F214-L219 VanDerWaalsContact CB-O 3.27Å; F214-L219 WeakPolarHBondContact CB-O 3.4Å; F214-L219 HydrophobicContact CD1-CB 4.37Å; F214-L219 HydrophobicContact CD2-CB 4.07Å; F214-L219 HydrophobicContact CG-CB 3.93Å; F214-L219 PolarHBondContact O-N 3.11Å; F214-K222 HydrophobicContact CZ-CB 4.34Å
215	A	89.9	Confident	90.4	Very high	79 Å²	79	80.2 Å²	80.2	65%	0.653	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.7	177.8	0	0	0	0	0	114.1	H213	H213-A215 VanDerWaalsContact C-N 3.28Å; H213-A215 PolarHBondContact O-N 2.93Å
216	C	89.6	Confident	90.6	Very high	43 Å²	43	83 Å²	83	29%	0.291	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-82.5	-16.9	-179.6	-66.4	0	0	0	0	113.6	C189 H213 F214	C189-C216 WeakPolarHBondContact SG-CB 3.43Å; H213-C216 HydrophobicContact CB-CB 4.14Å; H213-C216 PolarHBondContact O-N 3.36Å; F214-C216 VanDerWaalsContact C-N 3.29Å; F214-C216 PolarHBondContact O-N 3.11Å
217	V	92.5	Very high	90.8	Very high	18 Å²	18	78.1 Å²	78.1	11%	0.109	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-118.3	19.6	177.2	-63	0	0	0	0	112.4	I200 F212 H213 F214 L219 W227	I200-V217 HydrophobicContact CG2-CG2 4Å; F212-V217 HydrophobicContact CB-CG1 3.75Å; F212-V217 HydrophobicContact CB-CG2 4.35Å; F212-V217 HydrophobicContact CD1-CG1 4.03Å; F212-V217 HydrophobicContact CG-CG1 4.11Å; H213-V217 WeakPolarHBondContact O-CG2 3.44Å; H213-V217 PolarHBondContact O-N 3.03Å; F214-V217 CarbonylContact O-C 3.53Å; F214-V217 PolarHBondContact O-N 2.61Å; V217-L219 HydrophobicContact CG2-CB 4.34Å; V217-L219 HydrophobicContact CG2-CD1 3.64Å; V217-L219 HydrophobicContact CG2-CG 3.82Å; V217-L219 PolarHBondContact O-N 3.29Å; V217-W227 HydrophobicContact CB-CH2 4.35Å; V217-W227 HydrophobicContact CB-CZ2 3.85Å; V217-W227 HydrophobicContact CG1-CH2 4.02Å; V217-W227 HydrophobicContact CG1-CZ2 3.98Å; V217-W227 HydrophobicContact CG2-CH2 4.14Å; V217-W227 HydrophobicContact CG2-CZ2 3.71Å
218	D	90.5	Very high	90.9	Very high	150 Å²	150	80.3 Å²	80.3	80%	0.802	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.5	178	-57.5	-50.6	0	0	0	114	F214	F214-D218 PolarHBondContact O-N 3.5Å
219	L	90.1	Very high	91.1	Very high	32 Å²	32	74.8 Å²	74.8	17%	0.168	40%	0.396	C	S	.	.			trans	-97	135.9	171.4	-66.5	174.5	0	0	0	110	I200 F214 V217 P223 W227	I200-L219 HydrophobicContact CB-CD1 4.19Å; I200-L219 HydrophobicContact CD1-CD1 3.57Å; I200-L219 HydrophobicContact CG1-CD1 4.48Å; I200-L219 HydrophobicContact CG2-CD1 3.67Å; F214-L219 CarbonylContact C-O 3.37Å; F214-L219 HydrophobicContact CB-CB 4.21Å; F214-L219 VanDerWaalsContact CB-O 3.27Å; F214-L219 WeakPolarHBondContact CB-O 3.4Å; F214-L219 HydrophobicContact CD1-CB 4.37Å; F214-L219 HydrophobicContact CD2-CB 4.07Å; F214-L219 HydrophobicContact CG-CB 3.93Å; F214-L219 PolarHBondContact O-N 3.11Å; V217-L219 HydrophobicContact CG2-CB 4.34Å; V217-L219 HydrophobicContact CG2-CD1 3.64Å; V217-L219 HydrophobicContact CG2-CG 3.82Å; V217-L219 PolarHBondContact O-N 3.29Å; L219-P223 HydrophobicContact CD1-CG 4.37Å; L219-P223 HydrophobicContact CD2-CG 4.4Å; L219-W227 HydrophobicContact CD1-CZ2 4.31Å
220	T	88	Confident	91.2	Very high	125 Å²	125	76 Å²	76	77%	0.767	41%	0.406	S	S	*	.	S	Bend	trans	-113.2	-15.1	171.7	52.6	0	0	0	0	112.4
221	T	89.5	Confident	91.1	Very high	99 Å²	99	76.7 Å²	76.7	61%	0.607	40%	0.403	S	S	*	.	S	Bend	trans	-147.1	152.5	178.7	55	0	0	0	0	109	P223	T221-P223 WeakPolarHBondContact O-CD 3.39Å
222	K	90.1	Very high	90.9	Very high	173 Å²	173	71.5 Å²	71.5	75%	0.752	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-59.3	117.7	177.2	-176.5	175.9	-179.8	173.5	0	110.4	F214	F214-K222 HydrophobicContact CZ-CB 4.34Å
223	P	89.8	Confident	90.7	Very high	41 Å²	41	74.1 Å²	74.1	27%	0.266	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-65.2	149.4	177.7	27.5	-33.1	0	0	0	110.6	I200 L219 T221 W227	I200-P223 VanDerWaalsContact CD1-CD 3.45Å; I200-P223 HydrophobicContact CD1-CG 3.35Å; L219-P223 HydrophobicContact CD1-CG 4.37Å; L219-P223 HydrophobicContact CD2-CG 4.4Å; T221-P223 WeakPolarHBondContact O-CD 3.39Å; P223-W227 HydrophobicContact CG-CB 3.99Å; P223-W227 HydrophobicContact CG-CG 4.02Å
224	K	87.7	Confident	90.4	Very high	217 Å²	217	79.4 Å²	79.4	94%	0.943	43%	0.426	S	S	*	.	S	Bend	trans	-85.3	125.6	175.8	-65.6	-176.6	-179.9	179.9	0	109.8
225	G	90.5	Very high	90.2	Very high	67 Å²	67	83 Å²	83	69%	0.691	44%	0.443	S	S	*	.	S	Bend	trans	96.2	-159.3	177.4	0	0	0	0	0	113.3
226	K	91	Very high	89.9	Confident	170 Å²	170	84 Å²	84	74%	0.739	43%	0.432	S	S	*	.			trans	-75.9	127.7	-178.6	-63.9	-172.6	179.7	-171.8	0	111	D203 F228	D203-K226 HydrophobicContact CB-CB 4.26Å; D203-K226 WeakPolarHBondContact OD2-CA 3.43Å; K226-F228 HydrophobicContact CB-CE2 3.95Å; K226-F228 HydrophobicContact CB-CZ 4.17Å; K226-F228 HydrophobicContact CD-CZ 4.34Å
227	W	94.1	Very high	89.5	Confident	35 Å²	35	91 Å²	91	13%	0.133	45%	0.452	C	S	.	.			trans	-111.2	137.1	175.8	-177.4	87.3	0	0	0	110.9	I200 C202 D203 F212 V217 L219 P223 C229	I200-W227 HydrophobicContact CB-CE3 4.36Å; I200-W227 HydrophobicContact CB-CZ3 4.43Å; I200-W227 HydrophobicContact CD1-CB 3.69Å; I200-W227 HydrophobicContact CD1-CD2 3.51Å; I200-W227 HydrophobicContact CD1-CE3 3.85Å; I200-W227 HydrophobicContact CD1-CG 3.43Å; I200-W227 VanDerWaalsContact CD1-CG 3.43Å; I200-W227 HydrophobicContact CG1-CB 4.42Å; I200-W227 HydrophobicContact CG1-CD2 3.9Å; I200-W227 HydrophobicContact CG1-CE3 3.67Å; I200-W227 HydrophobicContact CG1-CG 4.24Å; I200-W227 HydrophobicContact CG1-CZ3 4.21Å; I200-W227 HydrophobicContact CG2-CD2 4.16Å; I200-W227 HydrophobicContact CG2-CE3 3.86Å; I200-W227 HydrophobicContact CG2-CH2 3.58Å; I200-W227 HydrophobicContact CG2-CZ2 3.9Å; I200-W227 HydrophobicContact CG2-CZ3 3.56Å; C202-W227 HydrophobicContact CB-CE3 4.44Å; C202-W227 HydrophobicContact CB-CZ3 4.08Å; D203-W227 WeakPolarHBondContact CB-O 3.42Å; D203-W227 PolarHBondContact N-O 3.29Å; D203-W227 PolarHBondContact OD2-N 3.42Å; F212-W227 HydrophobicContact CB-CH2 3.95Å; F212-W227 HydrophobicContact CB-CZ3 4.48Å; F212-W227 AromaticContact CD2-CH2 3.72Å; F212-W227 HydrophobicContact CD2-CH2 3.72Å; F212-W227 AromaticContact CD2-CZ3 3.69Å; F212-W227 HydrophobicContact CD2-CZ3 3.69Å; F212-W227 HydrophobicContact CE2-CH2 4.47Å; F212-W227 HydrophobicContact CE2-CZ3 4.33Å; F212-W227 AromaticContact CG-CH2 3.86Å; F212-W227 HydrophobicContact CG-CH2 3.86Å; F212-W227 HydrophobicContact CG-CZ3 4.28Å; V217-W227 HydrophobicContact CB-CH2 4.35Å; V217-W227 HydrophobicContact CB-CZ2 3.85Å; V217-W227 HydrophobicContact CG1-CH2 4.02Å; V217-W227 HydrophobicContact CG1-CZ2 3.98Å; V217-W227 HydrophobicContact CG2-CH2 4.14Å; V217-W227 HydrophobicContact CG2-CZ2 3.71Å; L219-W227 HydrophobicContact CD1-CZ2 4.31Å; P223-W227 HydrophobicContact CG-CB 3.99Å; P223-W227 HydrophobicContact CG-CG 4.02Å; W227-C229 HydrophobicContact CH2-CB 3.71Å; W227-C229 HydrophobicContact CZ2-CB 4.49Å; W227-C229 HydrophobicContact CZ3-CB 3.95Å
228	F	93.1	Very high	88.8	Confident	49 Å²	49	97.3 Å²	97.3	22%	0.215	48%	0.479	C	S	.	.			trans	-124.5	135.9	178.5	-62.5	-76.6	0	0	0	108.6	D203 N204 K226 C232 V233	D203-F228 HydrophobicContact CB-CD1 4.4Å; D203-F228 HydrophobicContact CB-CE1 3.91Å; D203-F228 HydrophobicContact CB-CZ 4.2Å; N204-F228 HydrophobicContact CB-CD1 3.96Å; N204-F228 HydrophobicContact CB-CE1 4.21Å; K226-F228 HydrophobicContact CB-CE2 3.95Å; K226-F228 HydrophobicContact CB-CZ 4.17Å; K226-F228 HydrophobicContact CD-CZ 4.34Å; F228-C232 HydrophobicContact CB-CB 4.31Å; F228-V233 HydrophobicContact CB-CG2 3.71Å; F228-V233 WeakPolarHBondContact O-CG2 3.33Å
229	C	92.6	Very high	87.8	Confident	0 Å²	0	98.7 Å²	98.7	0%	0	48%	0.477	C	S	.	.			trans	-67	160.2	179.5	75.9	0	0	0	0	111.9	C202 C207 F212 W227 R231 C232 V233	C202-C229 HydrophobicContact CB-CB 4.21Å; C202-C229 PolarHBondContact SG-N 3.25Å; C207-C229 VanDerWaalsContact SG-SG 3.66Å; F212-C229 HydrophobicContact CD1-CB 4.35Å; F212-C229 HydrophobicContact CD2-CB 3.92Å; F212-C229 HydrophobicContact CE1-CB 3.85Å; F212-C229 HydrophobicContact CE2-CB 3.38Å; F212-C229 HydrophobicContact CG-CB 4.39Å; F212-C229 HydrophobicContact CZ-CB 3.33Å; F212-C229 VanDerWaalsContact CZ-SG 3.57Å; W227-C229 HydrophobicContact CH2-CB 3.71Å; W227-C229 HydrophobicContact CZ2-CB 4.49Å; W227-C229 HydrophobicContact CZ3-CB 3.95Å; C229-R231 PolarHBondContact O-N 2.97Å; C229-R231 VanDerWaalsContact O-N 3.09Å; C229-C232 PolarHBondContact O-N 3.31Å; C229-C232 PolarHBondContact SG-N 3.42Å; C229-C232 VanDerWaalsContact SG-N 3.43Å; C229-V233 WeakPolarHBondContact O-CG2 2.87Å; C229-V233 PolarHBondContact O-N 2.85Å
230	P	89.7	Confident	86	Confident	53 Å²	53	108.7 Å²	108.7	34%	0.344	52%	0.52	S	S	.	.	H	α-helix	trans	-52.8	-35.8	-178.6	-28.4	35.3	0	0	0	113.9	L190 Q234	L190-P230 HydrophobicContact CD1-CG 4.42Å; P230-Q234 VanDerWaalsContact O-CG 3.27Å; P230-Q234 WeakPolarHBondContact O-CG 3.5Å; P230-Q234 PolarHBondContact O-N 2.99Å; P230-Q234 VanDerWaalsContact O-N 3.12Å
231	R	89.3	Confident	85.9	Confident	123 Å²	123	107.9 Å²	107.9	46%	0.464	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-49.6	175.3	-67.1	-170.9	-179.2	-174.8	4	111.7	L190 C229 V233 Q234 E235	L190-R231 HydrophobicContact CD2-CG 4.19Å; C229-R231 PolarHBondContact O-N 2.97Å; C229-R231 VanDerWaalsContact O-N 3.09Å; R231-V233 VanDerWaalsContact C-N 3.32Å; R231-V233 PolarHBondContact O-N 3.42Å; R231-Q234 PolarHBondContact O-N 3.3Å; R231-E235 WeakPolarHBondContact O-CG 3.32Å; R231-E235 PolarHBondContact O-N 3.44Å
232	C	91.4	Very high	85.7	Confident	9 Å²	9	108.4 Å²	108.4	6%	0.061	50%	0.502	C	S	.	.	H	α-helix	trans	-66.2	-32.6	179	-70.2	0	0	0	0	112.8	C202 N204 C207 F228 C229 K236	C202-C232 VanDerWaalsContact SG-SG 3.66Å; N204-C232 HydrophobicContact CB-CB 4.1Å; N204-C232 PolarHBondContact ND2-SG 3.03Å; N204-C232 VanDerWaalsContact ND2-SG 3.38Å; C207-C232 VanDerWaalsContact SG-SG 3.6Å; F228-C232 HydrophobicContact CB-CB 4.31Å; C229-C232 PolarHBondContact O-N 3.31Å; C229-C232 PolarHBondContact SG-N 3.42Å; C229-C232 VanDerWaalsContact SG-N 3.43Å; C232-K236 WeakPolarHBondContact O-CB 3.32Å; C232-K236 WeakPolarHBondContact O-CG 3.48Å; C232-K236 PolarHBondContact O-N 3.46Å
233	V	89.5	Confident	85.4	Confident	55 Å²	55	104.8 Å²	104.8	33%	0.333	49%	0.488	S	S	.	.	H	α-helix	trans	-66.4	-41.8	174	175.4	0	0	0	0	111.2	F228 C229 R231 R237	F228-V233 HydrophobicContact CB-CG2 3.71Å; F228-V233 WeakPolarHBondContact O-CG2 3.33Å; C229-V233 WeakPolarHBondContact O-CG2 2.87Å; C229-V233 PolarHBondContact O-N 2.85Å; R231-V233 VanDerWaalsContact C-N 3.32Å; R231-V233 PolarHBondContact O-N 3.42Å; V233-R237 WeakPolarHBondContact O-CG 3.24Å; V233-R237 PolarHBondContact O-N 3.01Å
234	Q	88	Confident	85.2	Confident	112 Å²	112	108.5 Å²	108.5	52%	0.523	50%	0.501	S	S	.	.	H	α-helix	trans	-65.6	-43.2	176.7	-72.8	173.5	36.5	0	0	112.2	P230 R231 K236 R237 K238	P230-Q234 VanDerWaalsContact O-CG 3.27Å; P230-Q234 WeakPolarHBondContact O-CG 3.5Å; P230-Q234 PolarHBondContact O-N 2.99Å; P230-Q234 VanDerWaalsContact O-N 3.12Å; R231-Q234 PolarHBondContact O-N 3.3Å; Q234-K236 PolarHBondContact O-N 3.42Å; Q234-R237 WeakPolarHBondContact O-CB 3.48Å; Q234-R237 PolarHBondContact O-N 3.23Å; Q234-R237 VanDerWaalsContact O-N 3.11Å; Q234-K238 PolarHBondContact O-N 3.44Å
235	E	87.2	Confident	85	Confident	94 Å²	94	101.8 Å²	101.8	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-64.8	-38.5	177.7	-71	-58.3	117.2	0	0	112.4	R231 R237 K238 K239	R231-E235 WeakPolarHBondContact O-CG 3.32Å; R231-E235 PolarHBondContact O-N 3.44Å; E235-R237 VanDerWaalsContact C-N 3.25Å; E235-R237 PolarHBondContact O-N 3.21Å; E235-K238 PolarHBondContact O-N 3.05Å; E235-K238 IonicContact OE1-NZ 2.88Å; E235-K239 PolarHBondContact O-N 3.46Å
236	K	83.6	Confident	84.6	Confident	98 Å²	98	104.1 Å²	104.1	43%	0.426	46%	0.459	S	S	.	.	H	α-helix	trans	-64.9	-27.6	172.7	-81.4	-174.9	174.9	-178.5	0	113.5	C232 Q234	C232-K236 WeakPolarHBondContact O-CB 3.32Å; C232-K236 WeakPolarHBondContact O-CG 3.48Å; C232-K236 PolarHBondContact O-N 3.46Å; Q234-K236 PolarHBondContact O-N 3.42Å
237	R	81.8	Confident	84.2	Confident	190 Å²	190	99.4 Å²	99.4	72%	0.717	44%	0.439	S	S	*	.	H	α-helix	trans	-77.8	-36.7	176.3	-75.6	178.7	173.9	-166.2	-0.9	112.4	V233 Q234 E235 K239 K240	V233-R237 WeakPolarHBondContact O-CG 3.24Å; V233-R237 PolarHBondContact O-N 3.01Å; Q234-R237 WeakPolarHBondContact O-CB 3.48Å; Q234-R237 PolarHBondContact O-N 3.23Å; Q234-R237 VanDerWaalsContact O-N 3.11Å; E235-R237 VanDerWaalsContact C-N 3.25Å; E235-R237 PolarHBondContact O-N 3.21Å; R237-K239 VanDerWaalsContact C-N 3.3Å; R237-K239 PolarHBondContact O-N 2.89Å; R237-K240 PolarHBondContact O-N 3.42Å
238	K	77.8	Confident	83.4	Confident	152 Å²	152	104.3 Å²	104.3	66%	0.661	46%	0.463	S	S	*	.	H	α-helix	trans	-71	-24.4	176.8	-71.6	178.9	-177	168.1	0	113.7	Q234 E235 K240	Q234-K238 PolarHBondContact O-N 3.44Å; E235-K238 PolarHBondContact O-N 3.05Å; E235-K238 IonicContact OE1-NZ 2.88Å; K238-K240 VanDerWaalsContact C-N 3.3Å
239	K	69.7	Low	82.6	Confident	178 Å²	178	108.9 Å²	108.9	77%	0.774	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	3.1	176.8	-72.8	-179.3	177.9	179.1	0	113.9	E235 R237	E235-K239 PolarHBondContact O-N 3.46Å; R237-K239 VanDerWaalsContact C-N 3.3Å; R237-K239 PolarHBondContact O-N 2.89Å
240	K	50.9	Low	81.7	Confident	243 Å²	243	118.8 Å²	118.8	100%	1.057	53%	0.527	S	S	*	.			trans	-111.3	0	172.6	-79.5	-171.2	174	-171.2	0	110	R237 K238	R237-K240 PolarHBondContact O-N 3.42Å; K238-K240 VanDerWaalsContact C-N 3.3Å

Retrieved 240 of 240 residues in 61.4 ms (Link to these results)

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