A0A3Q0KE26_SCHMA Loading...

Putative importin-beta 3

AlphaFold DB , UniProt , Accession A0A3Q0KE26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,127 aa.

						>A0A3Q0KE26_SCHMA|A0A3Q0KE26
MSDYAAFQTLLLQLQSSDNESRTRSETAYDAITPTTRFTLLLQVLNDKSVISQSRHMAAILARRLLVNDYGSAFEPLPVETKNSAKQQLVLILVHEREQLMRRKVADLISELVRMQFDDDGNSEWPEFTSILLEWSNSPDSGLREIACHIFGSVPSLFGNQQAQSIGIIGQFLVRAISDPSSSELRAAGLRALAAFTVQNATEDSVLQSLRELVPVALQAIATAIQTDSEDDTPLKALVDIADAAHKYLRPYLAPTLELCYKILCNEELEETQRHLALEVIVTLAENIPAGVRKSATLIESLVGTLLNMMSEVDEEPDWADADTAEEEDDSSNALTAELALDRLSCAVGGQHILNEIRRSVPNMLQHADWKRRYAGLMAISACSEGSSKQMETMLGSILDAVLPRLSDPHPRVRYAACNSVGQMATDFGPKLQKTHHSTVLPALVQTLNDTVPRVQANAGAALVNFCEKVPQHILVNYLDDLVSKLEQIMNSKFQEMVEHGRKLVLMQIVTTVASVADAAEKKFLPYYDRFMPVLKYIMENATHKDLRLLRGKTIECISLIGLAVGKEKFIQDVGPVMNLLLQTQTQPDSESSDEDDPQASYMISAWARICKLLGRDFESYLPVVMPQVLRSACVKPEICILDNDEADDVESDVDWQVVKLGEDRNYAIRTSGLEDKATACQMLVCYAREMKESFAPYCQQVLDIMVPLLDFYFNDEVRSAAAECLPFLLSSMKVKQPELVKTAWERVHKSLIRAVTNEPERDVVADHLQSLANSIEAVGKTYVTSDQLAEIRNLLDHLFHEHFEKSDERLAQRQNEDYDEFEEERLLSEKDEDEYVLSKMCDTVHSIFAAFGVEALPFFQQLMVFCVKLLEQNRPWSDLQWGICLWDEIIEFTGTQSWQFHQFFLPTFVQAVHHQQPDVRQAVVYGIGVAAMKGGPEYNQILSDFVGPLIQLVEAPDSKSEENNLCTENAISAITKIMKYRPECLPPALGGIDALIVRWLGWLPICDDTVETEHVYGYLCDLIEANNPVVIGPDNSNLPRIVRAIAESMSTGGLSDTNTEENRSKLETVNQAGGFNQQNGLEKPSAYQRCVSILRHIQSNSSLVEVCVSQLNEEQRKALGIALMGQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.6	Very low	79.8	Confident	219 Å²	219	66.5 Å²	66.5	100%	1.079	39%	0.385	S	S	*	.				0	-25.7	0	-78	-171.7	-170.5	0	0	113
2	S	55.6	Low	80.5	Confident	91 Å²	91	68 Å²	68	64%	0.636	39%	0.39	S	S	*	.	H	α-helix	trans	-67.4	-43.4	175.1	54.3	0	0	0	0	113.2	A6	S2-A6 WeakPolarHBondContact O-CB 3.45Å; S2-A6 PolarHBondContact O-N 3.33Å
3	D	74.7	Confident	81.1	Confident	118 Å²	118	70 Å²	70	63%	0.631	39%	0.394	S	S	*	.	H	α-helix	trans	-79.7	-36.3	-168.6	-58.6	-2.8	0	0	0	112.1	A6 F7	D3-A6 PolarHBondContact O-N 3Å; D3-F7 WeakPolarHBondContact O-CB 3.21Å; D3-F7 PolarHBondContact O-N 3.12Å
4	Y	85.4	Confident	81.6	Confident	45 Å²	45	66.3 Å²	66.3	18%	0.176	37%	0.372	C	S	.	.	H	α-helix	trans	-68.1	-41.8	178	-178	-113.2	0	0	0	112.9	F7 Q8 L40 Q43 V44 D47	Y4-F7 PolarHBondContact O-N 2.71Å; Y4-Q8 HydrophobicContact CE1-CG 4.41Å; Y4-Q8 WeakPolarHBondContact O-CG 3.14Å; Y4-Q8 PolarHBondContact O-N 3.41Å; Y4-Q8 PolarHBondContact OH-NE2 3.42Å; Y4-Q8 VanDerWaalsContact OH-NE2 3.1Å; Y4-L40 HydrophobicContact CD2-CD2 4.19Å; Y4-Q43 HydrophobicContact CD2-CB 3.96Å; Y4-Q43 HydrophobicContact CE2-CB 3.47Å; Y4-Q43 VanDerWaalsContact CE2-CB 3.47Å; Y4-Q43 PolarHBondContact OH-O 2.92Å; Y4-V44 HydrophobicContact CE2-CG2 3.65Å; Y4-V44 WeakPolarHBondContact OH-CA 3.38Å; Y4-D47 WeakPolarHBondContact OH-CB 3.33Å; Y4-D47 PolarHBondContact OH-OD2 3.06Å
5	A	84.8	Confident	81.8	Confident	49 Å²	49	66.1 Å²	66.1	41%	0.405	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-36.6	176.7	0	0	0	0	0	112.2	T9	A5-T9 PolarHBondContact O-N 3.11Å; A5-T9 PolarHBondContact O-OG1 2.8Å
6	A	87.4	Confident	82	Confident	59 Å²	59	64.3 Å²	64.3	49%	0.488	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-41.8	172.2	0	0	0	0	0	111.2	S2 D3 T9 L10	S2-A6 WeakPolarHBondContact O-CB 3.45Å; S2-A6 PolarHBondContact O-N 3.33Å; D3-A6 PolarHBondContact O-N 3Å; A6-T9 WeakPolarHBondContact O-CB 3.48Å; A6-T9 PolarHBondContact O-N 3.32Å; A6-L10 PolarHBondContact O-N 3.38Å
7	F	91.5	Very high	82.2	Confident	5 Å²	5	67.9 Å²	67.9	2%	0.022	39%	0.391	C	S	.	.	H	α-helix	trans	-64.9	-39.3	177.3	-171.2	-105.1	0	0	0	113.3	D3 Y4 T9 L10 L11 Y29 I32 L40 L41 V44	D3-F7 WeakPolarHBondContact O-CB 3.21Å; D3-F7 PolarHBondContact O-N 3.12Å; Y4-F7 PolarHBondContact O-N 2.71Å; F7-T9 VanDerWaalsContact C-N 3.29Å; F7-T9 PolarHBondContact O-N 3.2Å; F7-L10 HydrophobicContact CD2-CD2 4.27Å; F7-L10 WeakPolarHBondContact O-CB 3.39Å; F7-L10 PolarHBondContact O-N 3.29Å; F7-L11 HydrophobicContact CD1-CD1 4.03Å; F7-L11 HydrophobicContact CD1-CG 4.38Å; F7-L11 HydrophobicContact CE1-CD1 3.67Å; F7-L11 HydrophobicContact CE1-CD2 4.43Å; F7-L11 HydrophobicContact CE1-CG 4.02Å; F7-L11 HydrophobicContact CZ-CD1 4.38Å; F7-L11 HydrophobicContact CZ-CD2 4.36Å; F7-L11 HydrophobicContact CZ-CG 4.31Å; F7-L11 PolarHBondContact O-N 2.97Å; F7-Y29 HydrophobicContact CE2-CD2 4.11Å; F7-Y29 HydrophobicContact CE2-CE2 4.18Å; F7-Y29 HydrophobicContact CZ-CE2 4.18Å; F7-I32 HydrophobicContact CD2-CD1 3.78Å; F7-I32 HydrophobicContact CE2-CD1 3.87Å; F7-L40 HydrophobicContact CB-CD1 4.22Å; F7-L40 HydrophobicContact CD1-CB 3.72Å; F7-L40 HydrophobicContact CD2-CB 4.31Å; F7-L40 HydrophobicContact CD2-CD1 3.86Å; F7-L40 HydrophobicContact CE1-CB 3.73Å; F7-L40 HydrophobicContact CE2-CB 4.34Å; F7-L40 HydrophobicContact CE2-CD1 4.36Å; F7-L40 HydrophobicContact CG-CB 4Å; F7-L40 HydrophobicContact CG-CD1 3.95Å; F7-L40 HydrophobicContact CG-CG 4.44Å; F7-L40 HydrophobicContact CZ-CB 4.06Å; F7-L41 HydrophobicContact CE1-CD2 3.96Å; F7-L41 HydrophobicContact CE1-CG 4.18Å; F7-L41 HydrophobicContact CZ-CD2 3.7Å; F7-L41 HydrophobicContact CZ-CG 3.85Å; F7-V44 HydrophobicContact CD1-CG2 3.98Å; F7-V44 HydrophobicContact CE1-CG2 4.11Å
8	Q	89.9	Confident	82.5	Confident	51 Å²	51	68.2 Å²	68.2	24%	0.238	39%	0.391	C	S	.	.	H	α-helix	trans	-60.3	-40.7	172.5	-73.6	-179.9	-16	0	0	111.9	Y4 L10 L11 L12 V44 D47 V50	Y4-Q8 HydrophobicContact CE1-CG 4.41Å; Y4-Q8 WeakPolarHBondContact O-CG 3.14Å; Y4-Q8 PolarHBondContact O-N 3.41Å; Y4-Q8 PolarHBondContact OH-NE2 3.42Å; Y4-Q8 VanDerWaalsContact OH-NE2 3.1Å; Q8-L10 VanDerWaalsContact C-N 3.32Å; Q8-L11 PolarHBondContact O-N 2.76Å; Q8-L12 PolarHBondContact O-N 3.11Å; Q8-V44 HydrophobicContact CG-CG2 4.4Å; Q8-D47 PolarHBondContact NE2-OD2 3.48Å; Q8-V50 HydrophobicContact CG-CG2 4.5Å
9	T	88.4	Confident	82.4	Confident	73 Å²	73	69.7 Å²	69.7	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-40	175.8	-53.2	0	0	0	0	110.9	A5 A6 F7 L12 Q13	A5-T9 PolarHBondContact O-N 3.11Å; A5-T9 PolarHBondContact O-OG1 2.8Å; A6-T9 WeakPolarHBondContact O-CB 3.48Å; A6-T9 PolarHBondContact O-N 3.32Å; F7-T9 VanDerWaalsContact C-N 3.29Å; F7-T9 PolarHBondContact O-N 3.2Å; T9-L12 WeakPolarHBondContact O-CB 3.49Å; T9-L12 PolarHBondContact O-N 3.1Å; T9-Q13 WeakPolarHBondContact O-CG 3.41Å; T9-Q13 PolarHBondContact O-N 3.03Å
10	L	91	Very high	82.4	Confident	21 Å²	21	73.2 Å²	73.2	11%	0.11	41%	0.41	C	S	.	.	H	α-helix	trans	-61.8	-45.2	176.9	-175.3	66	0	0	0	112.1	A6 F7 Q8 L12 Q13 L14 A28 I32	A6-L10 PolarHBondContact O-N 3.38Å; F7-L10 HydrophobicContact CD2-CD2 4.27Å; F7-L10 WeakPolarHBondContact O-CB 3.39Å; F7-L10 PolarHBondContact O-N 3.29Å; Q8-L10 VanDerWaalsContact C-N 3.32Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 3.11Å; L10-Q13 PolarHBondContact O-N 3.21Å; L10-Q13 VanDerWaalsContact O-N 3.07Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 3.22Å; L10-A28 HydrophobicContact CD1-CB 3.94Å; L10-I32 HydrophobicContact CD2-CD1 3.92Å
11	L	89.8	Confident	82.4	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-60.9	-35.6	176.6	-74.6	173.3	0	0	0	112.9	F7 Q8 L14 L41 V44 M57 A58 L61	F7-L11 HydrophobicContact CD1-CD1 4.03Å; F7-L11 HydrophobicContact CD1-CG 4.38Å; F7-L11 HydrophobicContact CE1-CD1 3.67Å; F7-L11 HydrophobicContact CE1-CD2 4.43Å; F7-L11 HydrophobicContact CE1-CG 4.02Å; F7-L11 HydrophobicContact CZ-CD1 4.38Å; F7-L11 HydrophobicContact CZ-CD2 4.36Å; F7-L11 HydrophobicContact CZ-CG 4.31Å; F7-L11 PolarHBondContact O-N 2.97Å; Q8-L11 PolarHBondContact O-N 2.76Å; L11-L14 HydrophobicContact CD2-CD1 4.28Å; L11-L41 HydrophobicContact CD2-CD2 4.27Å; L11-V44 HydrophobicContact CD1-CB 4.31Å; L11-V44 HydrophobicContact CD1-CG1 3.96Å; L11-V44 HydrophobicContact CD1-CG2 3.82Å; L11-M57 HydrophobicContact CD2-CG 4.26Å; L11-A58 HydrophobicContact CD1-CB 4.32Å; L11-L61 HydrophobicContact CD2-CD1 3.59Å
12	L	88.1	Confident	84.6	Confident	84 Å²	84	65.8 Å²	65.8	44%	0.44	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-38.6	173.6	-72.3	165.2	0	0	0	111.7	Q8 T9 L10 Q15 I51 S54	Q8-L12 PolarHBondContact O-N 3.11Å; T9-L12 WeakPolarHBondContact O-CB 3.49Å; T9-L12 PolarHBondContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 3.11Å; L12-Q15 WeakPolarHBondContact O-CB 3.23Å; L12-Q15 PolarHBondContact O-N 3.49Å; L12-Q15 VanDerWaalsContact O-N 3.16Å; L12-I51 HydrophobicContact CD2-CD1 3.53Å; L12-I51 HydrophobicContact CD2-CG1 4.31Å; L12-S54 WeakPolarHBondContact CD2-OG 3.22Å
13	Q	88.3	Confident	85.8	Confident	94 Å²	94	65 Å²	65	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-72.4	-28.6	180	-68.9	175.4	-23.9	0	0	113	T9 L10 Q15 S16 S25	T9-Q13 WeakPolarHBondContact O-CG 3.41Å; T9-Q13 PolarHBondContact O-N 3.03Å; L10-Q13 PolarHBondContact O-N 3.21Å; L10-Q13 VanDerWaalsContact O-N 3.07Å; Q13-Q15 PolarHBondContact O-N 3.08Å; Q13-S16 WeakPolarHBondContact O-CB 3.14Å; Q13-S16 PolarHBondContact O-N 3.03Å; Q13-S25 WeakPolarHBondContact CB-OG 3.45Å
14	L	87.7	Confident	86.5	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.094	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.2	169.4	-73.9	173	0	0	0	112.8	L10 L11 E26 Y29 L61	L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 3.22Å; L11-L14 HydrophobicContact CD2-CD1 4.28Å; L14-E26 HydrophobicContact CD2-CB 4.25Å; L14-E26 HydrophobicContact CD2-CG 3.54Å; L14-Y29 HydrophobicContact CD1-CD2 4.19Å; L14-Y29 HydrophobicContact CD1-CG 4.26Å; L14-L61 HydrophobicContact CD1-CD1 4.02Å
15	Q	84.7	Confident	86.6	Confident	64 Å²	64	65.3 Å²	65.3	30%	0.299	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	9.6	177.5	-59.6	175.6	4.8	0	0	112.7	L12 Q13 Q53 M57	L12-Q15 WeakPolarHBondContact O-CB 3.23Å; L12-Q15 PolarHBondContact O-N 3.49Å; L12-Q15 VanDerWaalsContact O-N 3.16Å; Q13-Q15 PolarHBondContact O-N 3.08Å; Q15-Q53 PolarHBondContact NE2-O 3.29Å; Q15-Q53 VanDerWaalsContact NE2-O 3.11Å; Q15-M57 HydrophobicContact CG-CE 3.8Å
16	S	84.9	Confident	86.8	Confident	36 Å²	36	66.3 Å²	66.3	25%	0.252	35%	0.351	S	S	.	.			trans	-67.6	137.4	179.3	-180	0	0	0	0	111.2	Q13 D18	Q13-S16 WeakPolarHBondContact O-CB 3.14Å; Q13-S16 PolarHBondContact O-N 3.03Å; S16-D18 PolarHBondContact O-N 2.89Å; S16-D18 PolarHBondContact OG-N 3.46Å; S16-D18 VanDerWaalsContact OG-N 3.11Å
17	S	84.9	Confident	86.9	Confident	126 Å²	126	68 Å²	68	88%	0.881	36%	0.355	S	S	*	.	S	Bend	trans	-71.9	-14.6	169.5	61.8	0	0	0	0	113.2
18	D	87.5	Confident	86.8	Confident	73 Å²	73	69.9 Å²	69.9	39%	0.39	37%	0.372	S	S	.	.			trans	-83.1	115.1	173.6	172.8	49.2	0	0	0	110.9	S16 E20 S21 R22	S16-D18 PolarHBondContact O-N 2.89Å; S16-D18 PolarHBondContact OG-N 3.46Å; S16-D18 VanDerWaalsContact OG-N 3.11Å; D18-E20 PolarHBondContact O-N 3.16Å; D18-S21 PolarHBondContact O-N 3.35Å; D18-S21 WeakPolarHBondContact OD2-CB 3.39Å; D18-S21 PolarHBondContact OD2-N 3.41Å; D18-S21 PolarHBondContact OD2-OG 3.18Å; D18-R22 PolarHBondContact O-N 3.31Å
19	N	81	Confident	87	Confident	98 Å²	98	68.3 Å²	68.3	52%	0.524	36%	0.364	S	S	.	.	H	α-helix	trans	-60.3	-40.6	-176.7	-80	-22.7	0	0	0	112.8	S21 R22 T23	N19-S21 PolarHBondContact O-N 3.45Å; N19-R22 PolarHBondContact O-N 3.02Å; N19-R22 PolarHBondContact OD1-NH2 3.12Å; N19-T23 WeakPolarHBondContact O-CB 3.26Å; N19-T23 PolarHBondContact O-N 3.14Å; N19-T23 PolarHBondContact O-OG1 2.98Å; N19-T23 VanDerWaalsContact O-OG1 3.06Å
20	E	82.6	Confident	86.9	Confident	139 Å²	139	69.7 Å²	69.7	65%	0.65	37%	0.368	S	S	*	.	H	α-helix	trans	-63	-42.6	178.9	-78.1	-166.2	174.9	0	0	112	D18 R24	D18-E20 PolarHBondContact O-N 3.16Å; E20-R24 VanDerWaalsContact O-CB 3.28Å; E20-R24 WeakPolarHBondContact O-CB 3.34Å; E20-R24 PolarHBondContact O-N 3.43Å; E20-R24 VanDerWaalsContact O-N 3.08Å
21	S	81.8	Confident	86.9	Confident	39 Å²	39	72.7 Å²	72.7	27%	0.273	40%	0.396	S	S	.	.	H	α-helix	trans	-67.1	-39.4	176.5	-63.6	0	0	0	0	112	D18 N19 S25	D18-S21 PolarHBondContact O-N 3.35Å; D18-S21 WeakPolarHBondContact OD2-CB 3.39Å; D18-S21 PolarHBondContact OD2-N 3.41Å; D18-S21 PolarHBondContact OD2-OG 3.18Å; N19-S21 PolarHBondContact O-N 3.45Å; S21-S25 WeakPolarHBondContact O-CB 3.22Å; S21-S25 PolarHBondContact O-N 2.93Å; S21-S25 VanDerWaalsContact O-N 3.09Å; S21-S25 PolarHBondContact O-OG 3.25Å
22	R	86.5	Confident	87	Confident	98 Å²	98	74.5 Å²	74.5	37%	0.37	41%	0.405	S	S	.	.	H	α-helix	trans	-64.4	-53.5	176.5	-176.9	171.4	62.8	129.4	-4.9	111.5	D18 N19 R24 S25 E26	D18-R22 PolarHBondContact O-N 3.31Å; N19-R22 PolarHBondContact O-N 3.02Å; N19-R22 PolarHBondContact OD1-NH2 3.12Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.12Å; R22-S25 CarbonylContact O-C 3.57Å; R22-S25 WeakPolarHBondContact O-CA 3.31Å; R22-S25 WeakPolarHBondContact O-CB 3.35Å; R22-S25 PolarHBondContact O-N 2.95Å; R22-E26 HydrophobicContact CG-CG 4.49Å; R22-E26 WeakPolarHBondContact CG-OE1 3.44Å; R22-E26 WeakPolarHBondContact O-CG 3.42Å; R22-E26 PolarHBondContact O-N 2.99Å
23	T	81.2	Confident	87.2	Confident	75 Å²	75	74.4 Å²	74.4	46%	0.46	41%	0.408	S	S	.	.	H	α-helix	trans	-61.5	-36.4	179.4	-55.9	0	0	0	0	113.1	N19 S25 E26 T27	N19-T23 WeakPolarHBondContact O-CB 3.26Å; N19-T23 PolarHBondContact O-N 3.14Å; N19-T23 PolarHBondContact O-OG1 2.98Å; N19-T23 VanDerWaalsContact O-OG1 3.06Å; T23-S25 VanDerWaalsContact C-N 3.29Å; T23-S25 PolarHBondContact O-N 2.85Å; T23-E26 WeakPolarHBondContact CA-OE2 3.42Å; T23-E26 PolarHBondContact O-N 3.26Å; T23-T27 PolarHBondContact O-N 3.3Å; T23-T27 PolarHBondContact O-OG1 3.14Å
24	R	88.2	Confident	87.4	Confident	163 Å²	163	71.4 Å²	71.4	62%	0.615	40%	0.397	S	S	*	.	H	α-helix	trans	-64.5	-37.7	172.9	-170.2	-176.2	-56.6	152.5	8.8	111.6	E20 R22 A28	E20-R24 VanDerWaalsContact O-CB 3.28Å; E20-R24 WeakPolarHBondContact O-CB 3.34Å; E20-R24 PolarHBondContact O-N 3.43Å; E20-R24 VanDerWaalsContact O-N 3.08Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.12Å; R24-A28 WeakPolarHBondContact O-CB 3.5Å; R24-A28 PolarHBondContact O-N 3.32Å
25	S	89.3	Confident	87.7	Confident	5 Å²	5	72.5 Å²	72.5	4%	0.035	40%	0.404	C	S	.	.	H	α-helix	trans	-73.7	-36.5	179.3	-56.7	0	0	0	0	111.9	Q13 S21 R22 T23 A28 Y29	Q13-S25 WeakPolarHBondContact CB-OG 3.45Å; S21-S25 WeakPolarHBondContact O-CB 3.22Å; S21-S25 PolarHBondContact O-N 2.93Å; S21-S25 VanDerWaalsContact O-N 3.09Å; S21-S25 PolarHBondContact O-OG 3.25Å; R22-S25 CarbonylContact O-C 3.57Å; R22-S25 WeakPolarHBondContact O-CA 3.31Å; R22-S25 WeakPolarHBondContact O-CB 3.35Å; R22-S25 PolarHBondContact O-N 2.95Å; T23-S25 VanDerWaalsContact C-N 3.29Å; T23-S25 PolarHBondContact O-N 2.85Å; S25-A28 PolarHBondContact O-N 3.13Å; S25-Y29 VanDerWaalsContact O-CB 3.27Å; S25-Y29 WeakPolarHBondContact O-CB 3.46Å; S25-Y29 PolarHBondContact O-N 2.64Å
26	E	88.1	Confident	88.1	Confident	71 Å²	71	72.6 Å²	72.6	33%	0.332	41%	0.409	S	S	.	.	H	α-helix	trans	-60.6	-51.1	171.6	-71.4	165.7	173.8	0	0	110.2	L14 R22 T23 A28 Y29 D30	L14-E26 HydrophobicContact CD2-CB 4.25Å; L14-E26 HydrophobicContact CD2-CG 3.54Å; R22-E26 HydrophobicContact CG-CG 4.49Å; R22-E26 WeakPolarHBondContact CG-OE1 3.44Å; R22-E26 WeakPolarHBondContact O-CG 3.42Å; R22-E26 PolarHBondContact O-N 2.99Å; T23-E26 WeakPolarHBondContact CA-OE2 3.42Å; T23-E26 PolarHBondContact O-N 3.26Å; E26-A28 VanDerWaalsContact C-N 3.28Å; E26-A28 PolarHBondContact O-N 3.2Å; E26-Y29 WeakPolarHBondContact O-CB 3.38Å; E26-Y29 PolarHBondContact O-N 3.02Å; E26-Y29 VanDerWaalsContact O-N 3.11Å; E26-D30 PolarHBondContact O-N 2.96Å
27	T	88.8	Confident	88.5	Confident	93 Å²	93	71.9 Å²	71.9	57%	0.571	40%	0.401	S	S	*	.	H	α-helix	trans	-56.3	-42.1	174.6	-52.6	0	0	0	0	112.2	T23 D30 A31	T23-T27 PolarHBondContact O-N 3.3Å; T23-T27 PolarHBondContact O-OG1 3.14Å; T27-D30 PolarHBondContact O-N 2.88Å; T27-A31 PolarHBondContact O-N 2.89Å; T27-A31 VanDerWaalsContact O-N 3.12Å
28	A	91.1	Very high	88.9	Confident	46 Å²	46	66 Å²	66	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-70	-35.5	178.9	0	0	0	0	0	112.7	L10 R24 S25 E26	L10-A28 HydrophobicContact CD1-CB 3.94Å; R24-A28 WeakPolarHBondContact O-CB 3.5Å; R24-A28 PolarHBondContact O-N 3.32Å; S25-A28 PolarHBondContact O-N 3.13Å; E26-A28 VanDerWaalsContact C-N 3.28Å; E26-A28 PolarHBondContact O-N 3.2Å
29	Y	92.3	Very high	89.2	Confident	17 Å²	17	64.5 Å²	64.5	7%	0.067	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-43.4	172.8	174.9	-98.9	0	0	0	110.7	F7 L14 S25 E26 A31 I32 R37 L61	F7-Y29 HydrophobicContact CE2-CD2 4.11Å; F7-Y29 HydrophobicContact CE2-CE2 4.18Å; F7-Y29 HydrophobicContact CZ-CE2 4.18Å; L14-Y29 HydrophobicContact CD1-CD2 4.19Å; L14-Y29 HydrophobicContact CD1-CG 4.26Å; S25-Y29 VanDerWaalsContact O-CB 3.27Å; S25-Y29 WeakPolarHBondContact O-CB 3.46Å; S25-Y29 PolarHBondContact O-N 2.64Å; E26-Y29 WeakPolarHBondContact O-CB 3.38Å; E26-Y29 PolarHBondContact O-N 3.02Å; E26-Y29 VanDerWaalsContact O-N 3.11Å; Y29-A31 VanDerWaalsContact C-N 3.28Å; Y29-A31 PolarHBondContact O-N 3.39Å; Y29-I32 WeakPolarHBondContact O-CB 3.48Å; Y29-I32 PolarHBondContact O-N 3.24Å; Y29-I32 VanDerWaalsContact O-N 3.12Å; Y29-R37 HydrophobicContact CD2-CG 4.44Å; Y29-R37 HydrophobicContact CE2-CG 3.7Å; Y29-R37 PolarHBondContact O-NE 3.49Å; Y29-R37 PolarHBondContact O-NH2 3.4Å; Y29-R37 WeakPolarHBondContact OH-CD 3.46Å; Y29-L61 HydrophobicContact CE1-CD2 4.24Å; Y29-L61 HydrophobicContact CE2-CD1 3.96Å; Y29-L61 WeakPolarHBondContact OH-CB 3.37Å
30	D	87.8	Confident	89.8	Confident	102 Å²	102	60.7 Å²	60.7	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-24	179.8	-75.1	-26.7	0	0	0	114.3	E26 T27 I32 R37	E26-D30 PolarHBondContact O-N 2.96Å; T27-D30 PolarHBondContact O-N 2.88Å; D30-I32 VanDerWaalsContact C-N 3.28Å; D30-I32 PolarHBondContact O-N 2.75Å; D30-R37 VanDerWaalsContact C-NH2 3.28Å; D30-R37 PolarHBondContact O-NH2 2.76Å; D30-R37 IonicContact OD1-CZ 3.36Å; D30-R37 IonicContact OD1-NH1 3.91Å; D30-R37 PolarHBondContact OD1-NH1 3.1Å; D30-R37 IonicContact OD1-NH2 3.18Å
31	A	91	Very high	90.4	Very high	84 Å²	84	54.1 Å²	54.1	69%	0.694	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.2	172.9	0	0	0	0	0	114	T27 Y29	T27-A31 PolarHBondContact O-N 2.89Å; T27-A31 VanDerWaalsContact O-N 3.12Å; Y29-A31 VanDerWaalsContact C-N 3.28Å; Y29-A31 PolarHBondContact O-N 3.39Å
32	I	92	Very high	91	Very high	39 Å²	39	52.9 Å²	52.9	20%	0.2	29%	0.292	C	S	.	.	S	Bend	trans	-78.1	130.8	178.3	-56.8	172	0	0	0	109	F7 L10 Y29 D30 T36 R37	F7-I32 HydrophobicContact CD2-CD1 3.78Å; F7-I32 HydrophobicContact CE2-CD1 3.87Å; L10-I32 HydrophobicContact CD2-CD1 3.92Å; Y29-I32 WeakPolarHBondContact O-CB 3.48Å; Y29-I32 PolarHBondContact O-N 3.24Å; Y29-I32 VanDerWaalsContact O-N 3.12Å; D30-I32 VanDerWaalsContact C-N 3.28Å; D30-I32 PolarHBondContact O-N 2.75Å; I32-T36 HydrophobicContact CG2-CG2 4.1Å; I32-R37 HydrophobicContact CB-CB 4.49Å; I32-R37 HydrophobicContact CG2-CB 4.02Å; I32-R37 PolarHBondContact O-NE 2.93Å; I32-R37 PolarHBondContact O-NH2 3.43Å
33	T	92.5	Very high	91.3	Very high	82 Å²	82	52.7 Å²	52.7	50%	0.503	30%	0.296	S	S	.	.			trans	-56.2	140.6	179.3	58	0	0	0	0	111.5	T35 T36 R37	T33-T35 VanDerWaalsContact C-N 3.28Å; T33-T35 PolarHBondContact O-N 3.23Å; T33-T36 PolarHBondContact O-N 3.34Å; T33-T36 VanDerWaalsContact O-N 3.08Å; T33-T36 WeakPolarHBondContact OG1-CB 3.4Å; T33-T36 PolarHBondContact OG1-OG1 3.34Å; T33-T36 VanDerWaalsContact OG1-OG1 3.11Å; T33-R37 WeakPolarHBondContact O-CB 3.46Å; T33-R37 PolarHBondContact O-N 3.49Å
34	P	92.4	Very high	91.9	Very high	31 Å²	31	49.1 Å²	49.1	20%	0.201	27%	0.274	C	S	.	.	H	α-helix	trans	-51.4	-43.7	-175.9	-31	36.4	0	0	0	113.8	T36 R37 F38 L65 D69 A73	P34-T36 PolarHBondContact O-N 2.98Å; P34-R37 WeakPolarHBondContact O-CB 3.04Å; P34-R37 PolarHBondContact O-N 2.91Å; P34-F38 PolarHBondContact O-N 3.11Å; P34-L65 HydrophobicContact CB-CD1 4.29Å; P34-D69 VanDerWaalsContact CG-OD2 3.29Å; P34-D69 WeakPolarHBondContact CG-OD2 3.36Å; P34-A73 HydrophobicContact CB-CB 3.9Å
35	T	93	Very high	92.2	Very high	41 Å²	41	41.4 Å²	41.4	25%	0.252	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-42.9	179.5	-37.1	0	0	0	0	113.2	T33 T39 S72 A73 L77	T33-T35 VanDerWaalsContact C-N 3.28Å; T33-T35 PolarHBondContact O-N 3.23Å; T35-T39 WeakPolarHBondContact O-CG2 3.44Å; T35-T39 PolarHBondContact O-N 3.39Å; T35-T39 PolarHBondContact O-OG1 3.21Å; T35-T39 VanDerWaalsContact O-OG1 3.11Å; T35-S72 PolarHBondContact OG1-O 2.96Å; T35-A73 WeakPolarHBondContact CA-O 3.42Å; T35-L77 HydrophobicContact CG2-CD2 3.19Å; T35-L77 HydrophobicContact CG2-CG 3.76Å
36	T	92.6	Very high	92.2	Very high	66 Å²	66	44.2 Å²	44.2	41%	0.405	26%	0.259	S	S	.	.	H	α-helix	trans	-71.5	-38.1	177.6	-61.8	0	0	0	0	110.8	I32 T33 P34 T39 L40	I32-T36 HydrophobicContact CG2-CG2 4.1Å; T33-T36 PolarHBondContact O-N 3.34Å; T33-T36 VanDerWaalsContact O-N 3.08Å; T33-T36 WeakPolarHBondContact OG1-CB 3.4Å; T33-T36 PolarHBondContact OG1-OG1 3.34Å; T33-T36 VanDerWaalsContact OG1-OG1 3.11Å; P34-T36 PolarHBondContact O-N 2.98Å; T36-T39 WeakPolarHBondContact CA-OG1 3.37Å; T36-T39 PolarHBondContact O-N 3.31Å; T36-T39 PolarHBondContact O-OG1 2.92Å; T36-L40 HydrophobicContact CG2-CD1 3.82Å; T36-L40 HydrophobicContact CG2-CG 4.24Å; T36-L40 WeakPolarHBondContact O-CB 3.34Å; T36-L40 VanDerWaalsContact O-CG 3.28Å; T36-L40 WeakPolarHBondContact O-CG 3.48Å; T36-L40 PolarHBondContact O-N 3.37Å
37	R	92.9	Very high	92.3	Very high	22 Å²	22	42.8 Å²	42.8	8%	0.083	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-49.9	175.2	-166.6	-171.7	-63.9	-163.2	15.8	111.1	Y29 D30 I32 T33 P34 T39 L40 L41 L65	Y29-R37 HydrophobicContact CD2-CG 4.44Å; Y29-R37 HydrophobicContact CE2-CG 3.7Å; Y29-R37 PolarHBondContact O-NE 3.49Å; Y29-R37 PolarHBondContact O-NH2 3.4Å; Y29-R37 WeakPolarHBondContact OH-CD 3.46Å; D30-R37 VanDerWaalsContact C-NH2 3.28Å; D30-R37 PolarHBondContact O-NH2 2.76Å; D30-R37 IonicContact OD1-CZ 3.36Å; D30-R37 IonicContact OD1-NH1 3.91Å; D30-R37 PolarHBondContact OD1-NH1 3.1Å; D30-R37 IonicContact OD1-NH2 3.18Å; I32-R37 HydrophobicContact CB-CB 4.49Å; I32-R37 HydrophobicContact CG2-CB 4.02Å; I32-R37 PolarHBondContact O-NE 2.93Å; I32-R37 PolarHBondContact O-NH2 3.43Å; T33-R37 WeakPolarHBondContact O-CB 3.46Å; T33-R37 PolarHBondContact O-N 3.49Å; P34-R37 WeakPolarHBondContact O-CB 3.04Å; P34-R37 PolarHBondContact O-N 2.91Å; R37-T39 PolarHBondContact O-N 3.16Å; R37-L40 PolarHBondContact O-N 3.38Å; R37-L41 HydrophobicContact CG-CD1 4.08Å; R37-L41 WeakPolarHBondContact O-CB 3.44Å; R37-L41 WeakPolarHBondContact O-CD1 3.16Å; R37-L41 WeakPolarHBondContact O-CG 3.5Å; R37-L41 PolarHBondContact O-N 3.48Å; R37-L65 HydrophobicContact CB-CD2 4.07Å; R37-L65 HydrophobicContact CG-CD2 4.09Å
38	F	94.7	Very high	92.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-47.9	177.3	-178	-99.8	0	0	0	112.4	P34 L40 L41 L42 L65 L66 F74 L77 A85	P34-F38 PolarHBondContact O-N 3.11Å; F38-L40 PolarHBondContact O-N 3.31Å; F38-L41 PolarHBondContact O-N 2.63Å; F38-L42 PolarHBondContact O-N 3.29Å; F38-L65 HydrophobicContact CB-CD2 3.88Å; F38-L66 HydrophobicContact CD2-CD2 3.95Å; F38-L66 HydrophobicContact CD2-CG 4.45Å; F38-L66 HydrophobicContact CE2-CD1 4.13Å; F38-L66 HydrophobicContact CE2-CD2 3.82Å; F38-L66 HydrophobicContact CE2-CG 4.12Å; F38-F74 HydrophobicContact CD1-CD2 4.19Å; F38-F74 AromaticContact CE1-CD2 3.55Å; F38-F74 HydrophobicContact CE1-CD2 3.55Å; F38-F74 AromaticContact CE1-CE2 3.85Å; F38-F74 HydrophobicContact CE1-CE2 3.85Å; F38-F74 HydrophobicContact CE2-CD2 4.41Å; F38-F74 AromaticContact CZ-CD2 3.68Å; F38-F74 HydrophobicContact CZ-CD2 3.68Å; F38-F74 AromaticContact CZ-CE2 3.99Å; F38-F74 HydrophobicContact CZ-CE2 3.99Å; F38-L77 HydrophobicContact CD1-CD1 3.95Å; F38-L77 HydrophobicContact CE1-CD1 4.23Å; F38-A85 HydrophobicContact CE1-CB 4.19Å
39	T	93.3	Very high	92	Very high	42 Å²	42	47 Å²	47	26%	0.258	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-36.6	-179.6	51.3	0	0	0	0	113.1	T35 T36 R37 Q43 L77	T35-T39 WeakPolarHBondContact O-CG2 3.44Å; T35-T39 PolarHBondContact O-N 3.39Å; T35-T39 PolarHBondContact O-OG1 3.21Å; T35-T39 VanDerWaalsContact O-OG1 3.11Å; T36-T39 WeakPolarHBondContact CA-OG1 3.37Å; T36-T39 PolarHBondContact O-N 3.31Å; T36-T39 PolarHBondContact O-OG1 2.92Å; R37-T39 PolarHBondContact O-N 3.16Å; T39-Q43 WeakPolarHBondContact O-CG 3.27Å; T39-Q43 PolarHBondContact O-N 3.01Å; T39-Q43 VanDerWaalsContact O-N 3.07Å; T39-L77 HydrophobicContact CG2-CD2 4.11Å
40	L	94.2	Very high	91.8	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.094	27%	0.272	C	S	.	.	H	α-helix	trans	-68.2	-42.2	174.3	-72.8	171.5	0	0	0	112.1	Y4 F7 T36 R37 F38 L42 Q43 V44	Y4-L40 HydrophobicContact CD2-CD2 4.19Å; F7-L40 HydrophobicContact CB-CD1 4.22Å; F7-L40 HydrophobicContact CD1-CB 3.72Å; F7-L40 HydrophobicContact CD2-CB 4.31Å; F7-L40 HydrophobicContact CD2-CD1 3.86Å; F7-L40 HydrophobicContact CE1-CB 3.73Å; F7-L40 HydrophobicContact CE2-CB 4.34Å; F7-L40 HydrophobicContact CE2-CD1 4.36Å; F7-L40 HydrophobicContact CG-CB 4Å; F7-L40 HydrophobicContact CG-CD1 3.95Å; F7-L40 HydrophobicContact CG-CG 4.44Å; F7-L40 HydrophobicContact CZ-CB 4.06Å; T36-L40 HydrophobicContact CG2-CD1 3.82Å; T36-L40 HydrophobicContact CG2-CG 4.24Å; T36-L40 WeakPolarHBondContact O-CB 3.34Å; T36-L40 VanDerWaalsContact O-CG 3.28Å; T36-L40 WeakPolarHBondContact O-CG 3.48Å; T36-L40 PolarHBondContact O-N 3.37Å; R37-L40 PolarHBondContact O-N 3.38Å; F38-L40 PolarHBondContact O-N 3.31Å; L40-L42 VanDerWaalsContact C-N 3.33Å; L40-L42 PolarHBondContact O-N 3.34Å; L40-Q43 WeakPolarHBondContact O-CB 3.25Å; L40-Q43 PolarHBondContact O-N 2.59Å; L40-V44 WeakPolarHBondContact O-CG2 3.45Å; L40-V44 PolarHBondContact O-N 3.21Å
41	L	95.3	Very high	91.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-44.9	174.9	-69.1	162.9	0	0	0	110.9	F7 L11 R37 F38 Q43 V44 L45 A58 L61 A62 L65	F7-L41 HydrophobicContact CE1-CD2 3.96Å; F7-L41 HydrophobicContact CE1-CG 4.18Å; F7-L41 HydrophobicContact CZ-CD2 3.7Å; F7-L41 HydrophobicContact CZ-CG 3.85Å; L11-L41 HydrophobicContact CD2-CD2 4.27Å; R37-L41 HydrophobicContact CG-CD1 4.08Å; R37-L41 WeakPolarHBondContact O-CB 3.44Å; R37-L41 WeakPolarHBondContact O-CD1 3.16Å; R37-L41 WeakPolarHBondContact O-CG 3.5Å; R37-L41 PolarHBondContact O-N 3.48Å; F38-L41 PolarHBondContact O-N 2.63Å; L41-Q43 VanDerWaalsContact C-N 3.31Å; L41-Q43 PolarHBondContact O-N 3.1Å; L41-V44 WeakPolarHBondContact O-CB 3.49Å; L41-V44 PolarHBondContact O-N 2.85Å; L41-V44 VanDerWaalsContact O-N 3.14Å; L41-L45 WeakPolarHBondContact O-CG 3.22Å; L41-L45 PolarHBondContact O-N 3.18Å; L41-A58 HydrophobicContact CD2-CB 3.99Å; L41-L61 HydrophobicContact CD1-CB 4.3Å; L41-L61 HydrophobicContact CD2-CB 3.92Å; L41-L61 HydrophobicContact CD2-CD1 4.4Å; L41-A62 HydrophobicContact CB-CB 4.11Å; L41-A62 HydrophobicContact CD1-CB 4.07Å; L41-L65 HydrophobicContact CD1-CD2 4.32Å
42	L	94.2	Very high	91.6	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-35.7	176.6	-174.1	66	0	0	0	112.9	F38 L40 L45 N46 A85 L89 I92	F38-L42 PolarHBondContact O-N 3.29Å; L40-L42 VanDerWaalsContact C-N 3.33Å; L40-L42 PolarHBondContact O-N 3.34Å; L42-L45 PolarHBondContact O-N 3.07Å; L42-N46 PolarHBondContact O-N 3.22Å; L42-N46 PolarHBondContact O-ND2 3.34Å; L42-A85 HydrophobicContact CD2-CB 3.64Å; L42-L89 HydrophobicContact CD1-CD2 3.62Å; L42-L89 HydrophobicContact CD1-CG 3.92Å; L42-I92 HydrophobicContact CD1-CD1 4.25Å
43	Q	93	Very high	91.3	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-42.9	173.1	-75	175.8	0.8	0	0	111.5	Y4 T39 L40 L41 L45 N46 D47	Y4-Q43 HydrophobicContact CD2-CB 3.96Å; Y4-Q43 HydrophobicContact CE2-CB 3.47Å; Y4-Q43 VanDerWaalsContact CE2-CB 3.47Å; Y4-Q43 PolarHBondContact OH-O 2.92Å; T39-Q43 WeakPolarHBondContact O-CG 3.27Å; T39-Q43 PolarHBondContact O-N 3.01Å; T39-Q43 VanDerWaalsContact O-N 3.07Å; L40-Q43 WeakPolarHBondContact O-CB 3.25Å; L40-Q43 PolarHBondContact O-N 2.59Å; L41-Q43 VanDerWaalsContact C-N 3.31Å; L41-Q43 PolarHBondContact O-N 3.1Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.44Å; Q43-N46 PolarHBondContact O-N 3.46Å; Q43-D47 PolarHBondContact O-N 3.28Å
44	V	94.2	Very high	91.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-40.1	176.5	174	0	0	0	0	111.4	Y4 F7 Q8 L11 L40 L41 N46 D47 V50 R55 A58	Y4-V44 HydrophobicContact CE2-CG2 3.65Å; Y4-V44 WeakPolarHBondContact OH-CA 3.38Å; F7-V44 HydrophobicContact CD1-CG2 3.98Å; F7-V44 HydrophobicContact CE1-CG2 4.11Å; Q8-V44 HydrophobicContact CG-CG2 4.4Å; L11-V44 HydrophobicContact CD1-CB 4.31Å; L11-V44 HydrophobicContact CD1-CG1 3.96Å; L11-V44 HydrophobicContact CD1-CG2 3.82Å; L40-V44 WeakPolarHBondContact O-CG2 3.45Å; L40-V44 PolarHBondContact O-N 3.21Å; L41-V44 WeakPolarHBondContact O-CB 3.49Å; L41-V44 PolarHBondContact O-N 2.85Å; L41-V44 VanDerWaalsContact O-N 3.14Å; V44-N46 VanDerWaalsContact C-N 3.33Å; V44-N46 PolarHBondContact O-N 2.84Å; V44-D47 PolarHBondContact O-N 2.9Å; V44-V50 HydrophobicContact CG1-CG1 4.09Å; V44-R55 HydrophobicContact CG1-CG 4.47Å; V44-A58 HydrophobicContact CB-CB 4.02Å; V44-A58 HydrophobicContact CG1-CB 3.7Å
45	L	92.7	Very high	91.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-38.8	178.7	-69.7	174.5	0	0	0	113.2	L41 L42 Q43 R55 A58 A59 I92 L108	L41-L45 WeakPolarHBondContact O-CG 3.22Å; L41-L45 PolarHBondContact O-N 3.18Å; L42-L45 PolarHBondContact O-N 3.07Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.44Å; L45-R55 WeakPolarHBondContact CD2-O 3.28Å; L45-R55 PolarHBondContact O-NE 3Å; L45-R55 PolarHBondContact O-NH2 2.86Å; L45-R55 VanDerWaalsContact O-NH2 3.07Å; L45-A58 HydrophobicContact CD2-CB 4.07Å; L45-A58 HydrophobicContact CG-CB 4.24Å; L45-A59 HydrophobicContact CD2-CB 3.77Å; L45-I92 HydrophobicContact CB-CD1 3.98Å; L45-L108 HydrophobicContact CD1-CD2 3.72Å
46	N	90.1	Very high	91.1	Very high	64 Å²	64	43.4 Å²	43.4	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-74	-26.6	177.8	-81.1	-65.1	0	0	0	113.8	L42 Q43 V44 K48 Q88 I92	L42-N46 PolarHBondContact O-N 3.22Å; L42-N46 PolarHBondContact O-ND2 3.34Å; Q43-N46 PolarHBondContact O-N 3.46Å; V44-N46 VanDerWaalsContact C-N 3.33Å; V44-N46 PolarHBondContact O-N 2.84Å; N46-K48 PolarHBondContact O-N 3.09Å; N46-K48 VanDerWaalsContact O-N 3.11Å; N46-Q88 PolarHBondContact ND2-OE1 3.42Å; N46-I92 WeakPolarHBondContact OD1-CD1 3.44Å; N46-I92 WeakPolarHBondContact OD1-CG1 3.42Å
47	D	90.3	Very high	91	Very high	41 Å²	41	42.7 Å²	42.7	22%	0.219	22%	0.223	C	C	.	.			trans	-82.8	91.4	-173.3	-171.3	-7	0	0	0	111.6	Y4 Q8 Q43 V44 S49 V50	Y4-D47 WeakPolarHBondContact OH-CB 3.33Å; Y4-D47 PolarHBondContact OH-OD2 3.06Å; Q8-D47 PolarHBondContact NE2-OD2 3.48Å; Q43-D47 PolarHBondContact O-N 3.28Å; V44-D47 PolarHBondContact O-N 2.9Å; D47-S49 PolarHBondContact O-N 3.44Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.32Å; D47-S49 PolarHBondContact OD1-N 3.27Å; D47-S49 PolarHBondContact OD1-OG 3.29Å; D47-V50 HydrophobicContact CB-CG2 3.89Å; D47-V50 WeakPolarHBondContact O-CB 3.36Å; D47-V50 PolarHBondContact O-N 2.87Å
48	K	85.5	Confident	91.1	Very high	126 Å²	126	41.6 Å²	41.6	55%	0.548	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-6.3	177.7	-62.3	-161	176.4	-161	0	114.3	N46 H95	N46-K48 PolarHBondContact O-N 3.09Å; N46-K48 VanDerWaalsContact O-N 3.11Å; K48-H95 PolarHBondContact NZ-O 3.38Å
49	S	87.8	Confident	91	Very high	103 Å²	103	41.6 Å²	41.6	72%	0.72	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-16.6	172.4	76.7	0	0	0	0	113.1	D47	D47-S49 PolarHBondContact O-N 3.44Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.32Å; D47-S49 PolarHBondContact OD1-N 3.27Å; D47-S49 PolarHBondContact OD1-OG 3.29Å
50	V	87.7	Confident	90.8	Very high	20 Å²	20	41.1 Å²	41.1	12%	0.121	21%	0.214	C	C	.	.	S	Bend	trans	-74.5	141.4	174.2	-178.5	0	0	0	0	110	Q8 V44 D47 R55	Q8-V50 HydrophobicContact CG-CG2 4.5Å; V44-V50 HydrophobicContact CG1-CG1 4.09Å; D47-V50 HydrophobicContact CB-CG2 3.89Å; D47-V50 WeakPolarHBondContact O-CB 3.36Å; D47-V50 PolarHBondContact O-N 2.87Å; V50-R55 HydrophobicContact CB-CG 4Å; V50-R55 HydrophobicContact CG1-CG 4.06Å
51	I	87.6	Confident	90.7	Very high	90 Å²	90	41.2 Å²	41.2	46%	0.462	22%	0.215	S	C	.	.			trans	-59.4	144.1	178.4	64.1	168.2	0	0	0	111.4	L12 Q53 S54 R55	L12-I51 HydrophobicContact CD2-CD1 3.53Å; L12-I51 HydrophobicContact CD2-CG1 4.31Å; I51-Q53 VanDerWaalsContact C-N 3.3Å; I51-Q53 PolarHBondContact O-N 3.4Å; I51-S54 WeakPolarHBondContact CG1-OG 3.38Å; I51-S54 PolarHBondContact O-N 3.02Å; I51-S54 VanDerWaalsContact O-N 3.1Å; I51-R55 PolarHBondContact O-N 2.86Å
52	S	87.2	Confident	90.6	Very high	39 Å²	39	41.3 Å²	41.3	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-56.1	-41.7	-174.1	177.1	0	0	0	0	112.6	S54 R55 H56 E98	S52-S54 PolarHBondContact O-N 3.31Å; S52-R55 CarbonylContact O-C 3.57Å; S52-R55 WeakPolarHBondContact O-CA 3.33Å; S52-R55 WeakPolarHBondContact O-CB 3.2Å; S52-R55 PolarHBondContact O-N 3.26Å; S52-H56 PolarHBondContact O-N 3.03Å; S52-H56 PolarHBondContact OG-CE1 2.99Å; S52-H56 PolarHBondContact OG-NE2 3.34Å; S52-E98 PolarHBondContact OG-OE1 3.04Å; S52-E98 PolarHBondContact OG-OE2 3.21Å
53	Q	86.9	Confident	90.5	Very high	131 Å²	131	41.8 Å²	41.8	61%	0.612	22%	0.217	S	C	*	.	H	α-helix	trans	-56.4	-42.3	176.6	-80.8	176.3	-32	0	0	114	Q15 I51 R55 H56 M57	Q15-Q53 PolarHBondContact NE2-O 3.29Å; Q15-Q53 VanDerWaalsContact NE2-O 3.11Å; I51-Q53 VanDerWaalsContact C-N 3.3Å; I51-Q53 PolarHBondContact O-N 3.4Å; Q53-R55 VanDerWaalsContact C-N 3.35Å; Q53-H56 PolarHBondContact O-N 2.88Å; Q53-M57 PolarHBondContact O-N 3.5Å
54	S	89.9	Confident	90.2	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-72.9	-30	177.7	-56.3	0	0	0	0	112.1	L12 I51 S52 A58	L12-S54 WeakPolarHBondContact CD2-OG 3.22Å; I51-S54 WeakPolarHBondContact CG1-OG 3.38Å; I51-S54 PolarHBondContact O-N 3.02Å; I51-S54 VanDerWaalsContact O-N 3.1Å; S52-S54 PolarHBondContact O-N 3.31Å; S54-A58 WeakPolarHBondContact O-CB 3.39Å; S54-A58 PolarHBondContact O-N 3.08Å
55	R	93.5	Very high	90	Very high	13 Å²	13	42.3 Å²	42.3	5%	0.049	22%	0.216	C	C	.	.	H	α-helix	trans	-69.2	-40.4	171.9	-65.6	178.2	65.8	-136.9	-2.4	111.4	V44 L45 V50 I51 S52 Q53 A58 A59 E96 M101	V44-R55 HydrophobicContact CG1-CG 4.47Å; L45-R55 WeakPolarHBondContact CD2-O 3.28Å; L45-R55 PolarHBondContact O-NE 3Å; L45-R55 PolarHBondContact O-NH2 2.86Å; L45-R55 VanDerWaalsContact O-NH2 3.07Å; V50-R55 HydrophobicContact CB-CG 4Å; V50-R55 HydrophobicContact CG1-CG 4.06Å; I51-R55 PolarHBondContact O-N 2.86Å; S52-R55 CarbonylContact O-C 3.57Å; S52-R55 WeakPolarHBondContact O-CA 3.33Å; S52-R55 WeakPolarHBondContact O-CB 3.2Å; S52-R55 PolarHBondContact O-N 3.26Å; Q53-R55 VanDerWaalsContact C-N 3.35Å; R55-A58 PolarHBondContact O-N 3.09Å; R55-A59 PolarHBondContact O-N 3.22Å; R55-E96 IonicContact CZ-OE2 3.28Å; R55-E96 VanDerWaalsContact CZ-OE2 3.28Å; R55-E96 IonicContact NH1-OE2 2.92Å; R55-E96 PolarHBondContact NH1-OE2 2.71Å; R55-E96 IonicContact NH2-OE2 2.72Å; R55-E96 PolarHBondContact NH2-OE2 2.96Å; R55-M101 HydrophobicContact CB-CE 3.24Å; R55-M101 HydrophobicContact CB-SD 4.18Å; R55-M101 HydrophobicContact CG-CE 4.43Å
56	H	90.4	Very high	89.9	Confident	23 Å²	23	42.3 Å²	42.3	11%	0.106	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-48.4	174.4	-69.7	151.4	0	0	0	110.8	S52 Q53 A58 A59 I60 E98 M101 K104	S52-H56 PolarHBondContact O-N 3.03Å; S52-H56 PolarHBondContact OG-CE1 2.99Å; S52-H56 PolarHBondContact OG-NE2 3.34Å; Q53-H56 PolarHBondContact O-N 2.88Å; H56-A58 VanDerWaalsContact C-N 3.3Å; H56-A58 PolarHBondContact O-N 3.26Å; H56-A59 WeakPolarHBondContact O-CB 3.28Å; H56-A59 PolarHBondContact O-N 3.3Å; H56-A59 VanDerWaalsContact O-N 3.16Å; H56-I60 WeakPolarHBondContact O-CG1 3.46Å; H56-I60 PolarHBondContact O-N 3.32Å; H56-I60 VanDerWaalsContact O-N 3.08Å; H56-E98 IonicContact CE1-OE1 3.5Å; H56-E98 PolarHBondContact CE1-OE1 3.08Å; H56-E98 IonicContact NE2-OE1 3.73Å; H56-E98 PolarHBondContact NE2-OE1 3.11Å; H56-E98 IonicContact NE2-OE2 3.91Å; H56-M101 WeakPolarHBondContact CD2-CE 3.44Å; H56-M101 WeakPolarHBondContact NE2-CE 3.46Å; H56-K104 HydrophobicContact CB-CD 3.92Å
57	M	90.2	Very high	89.6	Confident	51 Å²	51	40.8 Å²	40.8	25%	0.251	21%	0.209	S	C	.	.	H	α-helix	trans	-59.6	-41.4	175.5	-176.8	63	77.2	0	0	111.7	L11 Q15 Q53 A59 I60 L61	L11-M57 HydrophobicContact CD2-CG 4.26Å; Q15-M57 HydrophobicContact CG-CE 3.8Å; Q53-M57 PolarHBondContact O-N 3.5Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 2.92Å; M57-I60 PolarHBondContact O-N 2.92Å; M57-L61 HydrophobicContact CG-CD1 3.72Å; M57-L61 HydrophobicContact CG-CG 4.14Å; M57-L61 VanDerWaalsContact O-CB 3.26Å; M57-L61 WeakPolarHBondContact O-CB 3.29Å; M57-L61 VanDerWaalsContact O-CG 3.26Å; M57-L61 WeakPolarHBondContact O-CG 3.43Å; M57-L61 PolarHBondContact O-N 2.78Å; M57-L61 HydrophobicContact SD-CD1 4.02Å; M57-L61 HydrophobicContact SD-CD2 4.46Å; M57-L61 HydrophobicContact SD-CG 3.94Å
58	A	94.1	Very high	89.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-37.2	177	0	0	0	0	0	112.6	L11 L41 V44 L45 S54 R55 H56 A62	L11-A58 HydrophobicContact CD1-CB 4.32Å; L41-A58 HydrophobicContact CD2-CB 3.99Å; V44-A58 HydrophobicContact CB-CB 4.02Å; V44-A58 HydrophobicContact CG1-CB 3.7Å; L45-A58 HydrophobicContact CD2-CB 4.07Å; L45-A58 HydrophobicContact CG-CB 4.24Å; S54-A58 WeakPolarHBondContact O-CB 3.39Å; S54-A58 PolarHBondContact O-N 3.08Å; R55-A58 PolarHBondContact O-N 3.09Å; H56-A58 VanDerWaalsContact C-N 3.3Å; H56-A58 PolarHBondContact O-N 3.26Å; A58-A62 WeakPolarHBondContact O-CB 3.4Å; A58-A62 PolarHBondContact O-N 3.06Å
59	A	92.9	Very high	89.3	Confident	1 Å²	1	41 Å²	41	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-47.7	176.9	0	0	0	0	0	111.2	L45 R55 H56 M57 A62 R63 K104	L45-A59 HydrophobicContact CD2-CB 3.77Å; R55-A59 PolarHBondContact O-N 3.22Å; H56-A59 WeakPolarHBondContact O-CB 3.28Å; H56-A59 PolarHBondContact O-N 3.3Å; H56-A59 VanDerWaalsContact O-N 3.16Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 2.92Å; A59-A62 PolarHBondContact O-N 3.04Å; A59-R63 PolarHBondContact O-N 3.32Å; A59-K104 HydrophobicContact CB-CB 3.75Å
60	I	89.5	Confident	89.4	Confident	32 Å²	32	37.6 Å²	37.6	16%	0.164	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-49.2	178.7	-63.8	164.8	0	0	0	110.5	H56 M57 A62 R63 R64 K104	H56-I60 WeakPolarHBondContact O-CG1 3.46Å; H56-I60 PolarHBondContact O-N 3.32Å; H56-I60 VanDerWaalsContact O-N 3.08Å; M57-I60 PolarHBondContact O-N 2.92Å; I60-A62 VanDerWaalsContact C-N 3.33Å; I60-A62 PolarHBondContact O-N 3.34Å; I60-R63 WeakPolarHBondContact O-CB 3.33Å; I60-R63 PolarHBondContact O-N 3.03Å; I60-R64 PolarHBondContact O-N 3.41Å; I60-K104 HydrophobicContact CD1-CD 4.24Å; I60-K104 HydrophobicContact CG1-CD 4.13Å
61	L	91.5	Very high	89.5	Confident	21 Å²	21	38.3 Å²	38.3	11%	0.11	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-36.5	179.8	-74.3	179.1	0	0	0	112.5	L11 L14 Y29 L41 M57 L65	L11-L61 HydrophobicContact CD2-CD1 3.59Å; L14-L61 HydrophobicContact CD1-CD1 4.02Å; Y29-L61 HydrophobicContact CE1-CD2 4.24Å; Y29-L61 HydrophobicContact CE2-CD1 3.96Å; Y29-L61 WeakPolarHBondContact OH-CB 3.37Å; L41-L61 HydrophobicContact CD1-CB 4.3Å; L41-L61 HydrophobicContact CD2-CB 3.92Å; L41-L61 HydrophobicContact CD2-CD1 4.4Å; M57-L61 HydrophobicContact CG-CD1 3.72Å; M57-L61 HydrophobicContact CG-CG 4.14Å; M57-L61 VanDerWaalsContact O-CB 3.26Å; M57-L61 WeakPolarHBondContact O-CB 3.29Å; M57-L61 VanDerWaalsContact O-CG 3.26Å; M57-L61 WeakPolarHBondContact O-CG 3.43Å; M57-L61 PolarHBondContact O-N 2.78Å; M57-L61 HydrophobicContact SD-CD1 4.02Å; M57-L61 HydrophobicContact SD-CD2 4.46Å; M57-L61 HydrophobicContact SD-CG 3.94Å; L61-L65 VanDerWaalsContact O-CB 3.28Å; L61-L65 WeakPolarHBondContact O-CB 3.38Å; L61-L65 PolarHBondContact O-N 3.07Å
62	A	93.9	Very high	89.7	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-41.1	174.2	0	0	0	0	0	111.2	L41 A58 A59 I60 L65 L66 L108	L41-A62 HydrophobicContact CB-CB 4.11Å; L41-A62 HydrophobicContact CD1-CB 4.07Å; A58-A62 WeakPolarHBondContact O-CB 3.4Å; A58-A62 PolarHBondContact O-N 3.06Å; A59-A62 PolarHBondContact O-N 3.04Å; I60-A62 VanDerWaalsContact C-N 3.33Å; I60-A62 PolarHBondContact O-N 3.34Å; A62-L65 PolarHBondContact O-N 3.39Å; A62-L66 WeakPolarHBondContact O-CG 3.32Å; A62-L66 PolarHBondContact O-N 3.1Å; A62-L66 VanDerWaalsContact O-N 3.14Å; A62-L108 HydrophobicContact CB-CD1 3.77Å; A62-L108 HydrophobicContact CB-CD2 3.72Å; A62-L108 HydrophobicContact CB-CG 4.41Å
63	R	91.1	Very high	90	Very high	22 Å²	22	34.8 Å²	34.8	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-53.2	176.1	-173.8	178.6	81.8	121.1	2.9	110.2	A59 I60 L65 L66 V67 D107 L108 E111 D643 D664	A59-R63 PolarHBondContact O-N 3.32Å; I60-R63 WeakPolarHBondContact O-CB 3.33Å; I60-R63 PolarHBondContact O-N 3.03Å; R63-L65 VanDerWaalsContact C-N 3.25Å; R63-L65 PolarHBondContact O-N 2.99Å; R63-L66 PolarHBondContact O-N 3.24Å; R63-V67 WeakPolarHBondContact O-CG2 3.38Å; R63-V67 PolarHBondContact O-N 3.1Å; R63-D107 VanDerWaalsContact CD-CB 3.48Å; R63-L108 HydrophobicContact CB-CD1 4.39Å; R63-E111 HydrophobicContact CG-CB 4.14Å; R63-E111 HydrophobicContact CG-CG 4.4Å; R63-D643 IonicContact NH2-OD2 3.14Å; R63-D643 PolarHBondContact NH2-OD2 3.43Å; R63-D643 VanDerWaalsContact NH2-OD2 3.15Å; R63-D664 PolarHBondContact NH1-O 3.05Å
64	R	86.9	Confident	90.3	Very high	92 Å²	92	28.5 Å²	28.5	35%	0.347	15%	0.153	S	C	.	.	H	α-helix	trans	-56.1	-38.6	177.6	-73.5	-174.4	176.1	170.3	4.6	112.4	I60 V67 N68 E646	I60-R64 PolarHBondContact O-N 3.41Å; R64-V67 PolarHBondContact O-N 3.31Å; R64-N68 WeakPolarHBondContact O-CB 3.44Å; R64-N68 VanDerWaalsContact O-CG 3.29Å; R64-N68 PolarHBondContact O-N 3.24Å; R64-N68 PolarHBondContact O-ND2 2.93Å; R64-E646 VanDerWaalsContact NH2-CD 3.28Å; R64-E646 IonicContact NH2-OE1 3.77Å; R64-E646 PolarHBondContact NH2-OE1 3.13Å; R64-E646 IonicContact NH2-OE2 3.38Å; R64-E646 PolarHBondContact NH2-OE2 3Å
65	L	90.5	Very high	90.4	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-40.4	176.2	-178.3	63.2	0	0	0	112.6	P34 R37 F38 L41 L61 A62 R63 D69 A73	P34-L65 HydrophobicContact CB-CD1 4.29Å; R37-L65 HydrophobicContact CB-CD2 4.07Å; R37-L65 HydrophobicContact CG-CD2 4.09Å; F38-L65 HydrophobicContact CB-CD2 3.88Å; L41-L65 HydrophobicContact CD1-CD2 4.32Å; L61-L65 VanDerWaalsContact O-CB 3.28Å; L61-L65 WeakPolarHBondContact O-CB 3.38Å; L61-L65 PolarHBondContact O-N 3.07Å; A62-L65 PolarHBondContact O-N 3.39Å; R63-L65 VanDerWaalsContact C-N 3.25Å; R63-L65 PolarHBondContact O-N 2.99Å; L65-D69 CarbonylContact O-C 3.18Å; L65-D69 PolarHBondContact O-N 3.41Å; L65-A73 HydrophobicContact CD1-CB 4.17Å; L65-A73 HydrophobicContact CD2-CB 3.97Å; L65-A73 HydrophobicContact CG-CB 3.74Å
66	L	90.5	Very high	90.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-69.3	-42.3	175.9	-65.1	-172.6	0	0	0	111.6	F38 A62 R63 N68 Y70 F74 L108 E111 L112	F38-L66 HydrophobicContact CD2-CD2 3.95Å; F38-L66 HydrophobicContact CD2-CG 4.45Å; F38-L66 HydrophobicContact CE2-CD1 4.13Å; F38-L66 HydrophobicContact CE2-CD2 3.82Å; F38-L66 HydrophobicContact CE2-CG 4.12Å; A62-L66 WeakPolarHBondContact O-CG 3.32Å; A62-L66 PolarHBondContact O-N 3.1Å; A62-L66 VanDerWaalsContact O-N 3.14Å; R63-L66 PolarHBondContact O-N 3.24Å; L66-N68 VanDerWaalsContact C-N 3.29Å; L66-N68 PolarHBondContact O-N 3.28Å; L66-Y70 HydrophobicContact CD2-CD2 4.26Å; L66-Y70 VanDerWaalsContact O-CB 3.3Å; L66-Y70 WeakPolarHBondContact O-CB 3.49Å; L66-Y70 PolarHBondContact O-N 3.25Å; L66-F74 HydrophobicContact CD2-CB 3.89Å; L66-L108 HydrophobicContact CD1-CD1 3.7Å; L66-L108 HydrophobicContact CG-CD1 4.34Å; L66-E111 HydrophobicContact CB-CG 3.64Å; L66-E111 HydrophobicContact CD1-CG 4.38Å; L66-L112 HydrophobicContact CD1-CB 3.98Å; L66-L112 HydrophobicContact CD1-CD1 4.19Å
67	V	84.5	Confident	90.5	Very high	33 Å²	33	36.5 Å²	36.5	20%	0.2	20%	0.198	C	C	.	.	H	α-helix	trans	-56.8	-45.1	176.5	174.1	0	0	0	0	111.3	R63 R64 E111	R63-V67 WeakPolarHBondContact O-CG2 3.38Å; R63-V67 PolarHBondContact O-N 3.1Å; R64-V67 PolarHBondContact O-N 3.31Å; V67-E111 VanDerWaalsContact CG2-CD 3.49Å; V67-E111 HydrophobicContact CG2-CG 3.85Å; V67-E111 WeakPolarHBondContact CG2-OE2 3.41Å
68	N	83	Confident	90.7	Very high	115 Å²	115	37.9 Å²	37.9	62%	0.615	21%	0.211	S	C	*	.	H	α-helix	trans	-88.4	-32.7	-171.1	-65.9	-18.4	0	0	0	113.8	R64 L66	R64-N68 WeakPolarHBondContact O-CB 3.44Å; R64-N68 VanDerWaalsContact O-CG 3.29Å; R64-N68 PolarHBondContact O-N 3.24Å; R64-N68 PolarHBondContact O-ND2 2.93Å; L66-N68 VanDerWaalsContact C-N 3.29Å; L66-N68 PolarHBondContact O-N 3.28Å
69	D	85.9	Confident	90.6	Very high	55 Å²	55	42.7 Å²	42.7	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-150.8	46.8	-169.7	-166.4	10.7	0	0	0	113.1	P34 L65 G71 S72 A73	P34-D69 VanDerWaalsContact CG-OD2 3.29Å; P34-D69 WeakPolarHBondContact CG-OD2 3.36Å; L65-D69 CarbonylContact O-C 3.18Å; L65-D69 PolarHBondContact O-N 3.41Å; D69-G71 VanDerWaalsContact C-N 3.26Å; D69-G71 PolarHBondContact O-N 3.39Å; D69-S72 VanDerWaalsContact CG-CB 3.47Å; D69-S72 PolarHBondContact O-N 3.17Å; D69-S72 WeakPolarHBondContact OD1-CB 3.28Å; D69-S72 PolarHBondContact OD1-N 2.93Å; D69-S72 PolarHBondContact OD1-OG 3.16Å; D69-S72 VanDerWaalsContact OD2-CB 3.28Å; D69-S72 WeakPolarHBondContact OD2-CB 3.47Å; D69-S72 PolarHBondContact OD2-OG 2.89Å; D69-A73 WeakPolarHBondContact O-CB 3.16Å; D69-A73 PolarHBondContact O-N 3.48Å
70	Y	89.8	Confident	90.6	Very high	32 Å²	32	50.7 Å²	50.7	13%	0.125	28%	0.277	C	S	.	.	H	α-helix	trans	-51	-44.5	175.4	172.1	-98.5	0	0	0	113.1	L66 S72 A73 F74 E75 L112 M115 Q116	L66-Y70 HydrophobicContact CD2-CD2 4.26Å; L66-Y70 VanDerWaalsContact O-CB 3.3Å; L66-Y70 WeakPolarHBondContact O-CB 3.49Å; L66-Y70 PolarHBondContact O-N 3.25Å; Y70-S72 VanDerWaalsContact C-N 3.27Å; Y70-S72 PolarHBondContact O-N 3.36Å; Y70-A73 PolarHBondContact O-N 3.47Å; Y70-F74 HydrophobicContact CD2-CB 3.93Å; Y70-F74 HydrophobicContact CE2-CB 3.82Å; Y70-F74 AromaticContact CE2-CD1 3.62Å; Y70-F74 HydrophobicContact CE2-CD1 3.62Å; Y70-F74 HydrophobicContact CE2-CG 4.02Å; Y70-F74 PolarHBondContact O-N 2.86Å; Y70-E75 HydrophobicContact CE1-CB 4.25Å; Y70-E75 PolarHBondContact O-N 3.02Å; Y70-L112 HydrophobicContact CE2-CD1 4.18Å; Y70-M115 HydrophobicContact CD1-CB 4.04Å; Y70-M115 HydrophobicContact CD1-CG 4.43Å; Y70-M115 HydrophobicContact CD2-CB 3.47Å; Y70-M115 VanDerWaalsContact CD2-CB 3.47Å; Y70-M115 HydrophobicContact CD2-CG 3.79Å; Y70-M115 HydrophobicContact CE1-CB 4Å; Y70-M115 HydrophobicContact CE2-CB 3.45Å; Y70-M115 VanDerWaalsContact CE2-CB 3.45Å; Y70-M115 HydrophobicContact CE2-CG 4.28Å; Y70-M115 HydrophobicContact CG-CB 3.78Å; Y70-M115 HydrophobicContact CG-CG 3.88Å; Y70-M115 HydrophobicContact CG-SD 4.5Å; Y70-M115 PolarHBondContact OH-O 3.46Å; Y70-Q116 PolarHBondContact OH-NE2 3.42Å
71	G	90.1	Very high	90.8	Very high	36 Å²	36	51.9 Å²	51.9	37%	0.371	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-25.1	-176.9	0	0	0	0	0	114.5	D69 E75 P76	D69-G71 VanDerWaalsContact C-N 3.26Å; D69-G71 PolarHBondContact O-N 3.39Å; G71-E75 WeakPolarHBondContact CA-OE2 3.25Å; G71-P76 WeakPolarHBondContact O-CD 3.34Å; G71-P76 VanDerWaalsContact O-CG 3.26Å; G71-P76 WeakPolarHBondContact O-CG 3.29Å
72	S	91.5	Very high	90.9	Very high	54 Å²	54	52.5 Å²	52.5	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-102.6	-27.3	173.7	-42.7	0	0	0	0	112.9	T35 D69 Y70	T35-S72 PolarHBondContact OG1-O 2.96Å; D69-S72 VanDerWaalsContact CG-CB 3.47Å; D69-S72 PolarHBondContact O-N 3.17Å; D69-S72 WeakPolarHBondContact OD1-CB 3.28Å; D69-S72 PolarHBondContact OD1-N 2.93Å; D69-S72 PolarHBondContact OD1-OG 3.16Å; D69-S72 VanDerWaalsContact OD2-CB 3.28Å; D69-S72 WeakPolarHBondContact OD2-CB 3.47Å; D69-S72 PolarHBondContact OD2-OG 2.89Å; Y70-S72 VanDerWaalsContact C-N 3.27Å; Y70-S72 PolarHBondContact O-N 3.36Å
73	A	92.6	Very high	90.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-82.2	-49.1	-175.2	0	0	0	0	0	113.1	P34 T35 L65 D69 Y70	P34-A73 HydrophobicContact CB-CB 3.9Å; T35-A73 WeakPolarHBondContact CA-O 3.42Å; L65-A73 HydrophobicContact CD1-CB 4.17Å; L65-A73 HydrophobicContact CD2-CB 3.97Å; L65-A73 HydrophobicContact CG-CB 3.74Å; D69-A73 WeakPolarHBondContact O-CB 3.16Å; D69-A73 PolarHBondContact O-N 3.48Å; Y70-A73 PolarHBondContact O-N 3.47Å
74	F	94.1	Very high	91	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-43.8	-171.2	-170.4	-93.9	0	0	0	112.7	F38 L66 Y70 P76 L77 K82 A85 L112	F38-F74 HydrophobicContact CD1-CD2 4.19Å; F38-F74 AromaticContact CE1-CD2 3.55Å; F38-F74 HydrophobicContact CE1-CD2 3.55Å; F38-F74 AromaticContact CE1-CE2 3.85Å; F38-F74 HydrophobicContact CE1-CE2 3.85Å; F38-F74 HydrophobicContact CE2-CD2 4.41Å; F38-F74 AromaticContact CZ-CD2 3.68Å; F38-F74 HydrophobicContact CZ-CD2 3.68Å; F38-F74 AromaticContact CZ-CE2 3.99Å; F38-F74 HydrophobicContact CZ-CE2 3.99Å; L66-F74 HydrophobicContact CD2-CB 3.89Å; Y70-F74 HydrophobicContact CD2-CB 3.93Å; Y70-F74 HydrophobicContact CE2-CB 3.82Å; Y70-F74 AromaticContact CE2-CD1 3.62Å; Y70-F74 HydrophobicContact CE2-CD1 3.62Å; Y70-F74 HydrophobicContact CE2-CG 4.02Å; Y70-F74 PolarHBondContact O-N 2.86Å; F74-P76 VanDerWaalsContact C-CD 3.44Å; F74-L77 HydrophobicContact CD2-CD1 3.9Å; F74-L77 HydrophobicContact CE2-CD1 4.31Å; F74-L77 HydrophobicContact CG-CD1 4.42Å; F74-L77 VanDerWaalsContact O-CB 3.27Å; F74-L77 WeakPolarHBondContact O-CB 3.45Å; F74-L77 WeakPolarHBondContact O-CG 3.49Å; F74-L77 PolarHBondContact O-N 3.43Å; F74-L77 VanDerWaalsContact O-N 3.07Å; F74-K82 HydrophobicContact CD1-CD 4.41Å; F74-K82 HydrophobicContact CD1-CG 4.38Å; F74-K82 HydrophobicContact CE1-CB 4.07Å; F74-K82 HydrophobicContact CE1-CD 3.9Å; F74-K82 HydrophobicContact CE1-CG 3.77Å; F74-K82 HydrophobicContact CE2-CG 4.49Å; F74-K82 HydrophobicContact CZ-CB 3.78Å; F74-K82 HydrophobicContact CZ-CD 4.44Å; F74-K82 HydrophobicContact CZ-CG 3.83Å; F74-K82 WeakPolarHBondContact O-CE 3.44Å; F74-A85 HydrophobicContact CE2-CB 4.2Å; F74-L112 HydrophobicContact CD1-CD1 3.85Å; F74-L112 HydrophobicContact CD2-CD1 3.98Å; F74-L112 HydrophobicContact CE1-CD1 3.71Å; F74-L112 HydrophobicContact CE2-CD1 3.85Å; F74-L112 HydrophobicContact CE2-CD2 4.22Å; F74-L112 HydrophobicContact CG-CD1 3.98Å; F74-L112 HydrophobicContact CZ-CD1 3.72Å; F74-L112 HydrophobicContact CZ-CD2 4.2Å
75	E	91.2	Very high	91.4	Very high	112 Å²	112	52.8 Å²	52.8	52%	0.523	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.2	-175.8	-160.1	-176.5	170.7	0	0	114.4	Y70 G71 L77 K82	Y70-E75 HydrophobicContact CE1-CB 4.25Å; Y70-E75 PolarHBondContact O-N 3.02Å; G71-E75 WeakPolarHBondContact CA-OE2 3.25Å; E75-L77 PolarHBondContact O-N 2.91Å; E75-K82 WeakPolarHBondContact O-CE 3.27Å; E75-K82 PolarHBondContact O-NZ 3.44Å
76	P	94.2	Very high	91.6	Very high	80 Å²	80	52.8 Å²	52.8	52%	0.519	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.9	-179.9	-18.2	34.9	0	0	0	114.3	G71 F74	G71-P76 WeakPolarHBondContact O-CD 3.34Å; G71-P76 VanDerWaalsContact O-CG 3.26Å; G71-P76 WeakPolarHBondContact O-CG 3.29Å; F74-P76 VanDerWaalsContact C-CD 3.44Å
77	L	93	Very high	91.8	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.073	33%	0.329	C	S	.	.	S	Bend	trans	-65.9	144.9	-179.1	-72.2	170.7	0	0	0	111.6	T35 F38 T39 F74 E75 T81 K82	T35-L77 HydrophobicContact CG2-CD2 3.19Å; T35-L77 HydrophobicContact CG2-CG 3.76Å; F38-L77 HydrophobicContact CD1-CD1 3.95Å; F38-L77 HydrophobicContact CE1-CD1 4.23Å; T39-L77 HydrophobicContact CG2-CD2 4.11Å; F74-L77 HydrophobicContact CD2-CD1 3.9Å; F74-L77 HydrophobicContact CE2-CD1 4.31Å; F74-L77 HydrophobicContact CG-CD1 4.42Å; F74-L77 VanDerWaalsContact O-CB 3.27Å; F74-L77 WeakPolarHBondContact O-CB 3.45Å; F74-L77 WeakPolarHBondContact O-CG 3.49Å; F74-L77 PolarHBondContact O-N 3.43Å; F74-L77 VanDerWaalsContact O-N 3.07Å; E75-L77 PolarHBondContact O-N 2.91Å; L77-T81 HydrophobicContact CD2-CG2 4.06Å; L77-K82 HydrophobicContact CB-CG 3.76Å; L77-K82 VanDerWaalsContact O-CE 3.22Å; L77-K82 WeakPolarHBondContact O-CE 3.43Å
78	P	93.7	Very high	92.3	Very high	81 Å²	81	60 Å²	60	53%	0.526	33%	0.333	S	S	.	.			trans	-55.8	142.9	170.2	-23.2	32.8	0	0	0	111.5	E80 T81 K82	P78-E80 PolarHBondContact O-N 2.7Å; P78-E80 VanDerWaalsContact O-N 3.15Å; P78-T81 CarbonylContact O-C 3.6Å; P78-T81 WeakPolarHBondContact O-CA 3.39Å; P78-T81 WeakPolarHBondContact O-CB 3.38Å; P78-T81 PolarHBondContact O-N 3.21Å; P78-K82 PolarHBondContact O-N 3.04Å
79	V	91.7	Very high	92.9	Very high	100 Å²	100	54.6 Å²	54.6	61%	0.606	30%	0.303	S	S	*	.	H	α-helix	trans	-52.8	-40	-178.5	176.6	0	0	0	0	112.3	T81 K82 N83	V79-T81 VanDerWaalsContact C-N 3.34Å; V79-T81 PolarHBondContact O-N 2.99Å; V79-K82 PolarHBondContact O-N 3.32Å; V79-N83 WeakPolarHBondContact O-CB 3.31Å; V79-N83 VanDerWaalsContact O-CG 3.27Å; V79-N83 PolarHBondContact O-N 3.46Å; V79-N83 PolarHBondContact O-ND2 3.04Å
80	E	93.6	Very high	93.3	Very high	170 Å²	170	53 Å²	53	79%	0.794	30%	0.295	S	S	*	.	H	α-helix	trans	-61.3	-41.1	175.8	-64.6	176.4	178.7	0	0	112.2	P78 S84	P78-E80 PolarHBondContact O-N 2.7Å; P78-E80 VanDerWaalsContact O-N 3.15Å; E80-S84 WeakPolarHBondContact O-CB 3.25Å; E80-S84 PolarHBondContact O-N 2.93Å
81	T	92.9	Very high	93.5	Very high	56 Å²	56	56 Å²	56	34%	0.344	31%	0.313	S	S	.	.	H	α-helix	trans	-70.3	-41.3	177.1	-51.3	0	0	0	0	111.4	L77 P78 V79 S84 A85	L77-T81 HydrophobicContact CD2-CG2 4.06Å; P78-T81 CarbonylContact O-C 3.6Å; P78-T81 WeakPolarHBondContact O-CA 3.39Å; P78-T81 WeakPolarHBondContact O-CB 3.38Å; P78-T81 PolarHBondContact O-N 3.21Å; V79-T81 VanDerWaalsContact C-N 3.34Å; V79-T81 PolarHBondContact O-N 2.99Å; T81-S84 PolarHBondContact O-N 3.39Å; T81-A85 WeakPolarHBondContact O-CB 3.49Å; T81-A85 PolarHBondContact O-N 3.48Å
82	K	94.4	Very high	93.6	Very high	34 Å²	34	54.9 Å²	54.9	15%	0.148	30%	0.299	C	S	.	.	H	α-helix	trans	-57.5	-49.5	173.5	-68.8	-176.9	174.4	-179.1	0	110.8	F74 E75 L77 P78 V79 S84 A85 K86	F74-K82 HydrophobicContact CD1-CD 4.41Å; F74-K82 HydrophobicContact CD1-CG 4.38Å; F74-K82 HydrophobicContact CE1-CB 4.07Å; F74-K82 HydrophobicContact CE1-CD 3.9Å; F74-K82 HydrophobicContact CE1-CG 3.77Å; F74-K82 HydrophobicContact CE2-CG 4.49Å; F74-K82 HydrophobicContact CZ-CB 3.78Å; F74-K82 HydrophobicContact CZ-CD 4.44Å; F74-K82 HydrophobicContact CZ-CG 3.83Å; F74-K82 WeakPolarHBondContact O-CE 3.44Å; E75-K82 WeakPolarHBondContact O-CE 3.27Å; E75-K82 PolarHBondContact O-NZ 3.44Å; L77-K82 HydrophobicContact CB-CG 3.76Å; L77-K82 VanDerWaalsContact O-CE 3.22Å; L77-K82 WeakPolarHBondContact O-CE 3.43Å; P78-K82 PolarHBondContact O-N 3.04Å; V79-K82 PolarHBondContact O-N 3.32Å; K82-S84 PolarHBondContact O-N 3.44Å; K82-A85 PolarHBondContact O-N 2.87Å; K82-K86 WeakPolarHBondContact O-CG 3.43Å; K82-K86 PolarHBondContact O-N 3.19Å
83	N	93.6	Very high	93.7	Very high	73 Å²	73	52.3 Å²	52.3	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-39.9	179.2	-70.7	-14.3	0	0	0	112.1	V79 A85 Q87	V79-N83 WeakPolarHBondContact O-CB 3.31Å; V79-N83 VanDerWaalsContact O-CG 3.27Å; V79-N83 PolarHBondContact O-N 3.46Å; V79-N83 PolarHBondContact O-ND2 3.04Å; N83-A85 VanDerWaalsContact C-N 3.35Å; N83-Q87 WeakPolarHBondContact O-CG 3.37Å; N83-Q87 PolarHBondContact O-N 2.93Å
84	S	94	Very high	93.6	Very high	47 Å²	47	55.1 Å²	55.1	33%	0.329	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-40.7	174.2	-168.6	0	0	0	0	111.7	E80 T81 K82 Q87 Q88	E80-S84 WeakPolarHBondContact O-CB 3.25Å; E80-S84 PolarHBondContact O-N 2.93Å; T81-S84 PolarHBondContact O-N 3.39Å; K82-S84 PolarHBondContact O-N 3.44Å; S84-Q87 PolarHBondContact O-N 2.9Å; S84-Q88 WeakPolarHBondContact O-CB 3.36Å; S84-Q88 WeakPolarHBondContact O-CG 3.25Å; S84-Q88 PolarHBondContact O-N 2.99Å; S84-Q88 PolarHBondContact OG-NE2 3.03Å
85	A	94.6	Very high	93.4	Very high	3 Å²	3	60.7 Å²	60.7	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-48	177.2	0	0	0	0	0	111.9	F38 L42 F74 T81 K82 N83 Q87 Q88 L89	F38-A85 HydrophobicContact CE1-CB 4.19Å; L42-A85 HydrophobicContact CD2-CB 3.64Å; F74-A85 HydrophobicContact CE2-CB 4.2Å; T81-A85 WeakPolarHBondContact O-CB 3.49Å; T81-A85 PolarHBondContact O-N 3.48Å; K82-A85 PolarHBondContact O-N 2.87Å; N83-A85 VanDerWaalsContact C-N 3.35Å; A85-Q87 PolarHBondContact O-N 3.48Å; A85-Q88 PolarHBondContact O-N 3.16Å; A85-L89 WeakPolarHBondContact O-CG 3.29Å; A85-L89 PolarHBondContact O-N 3.15Å
86	K	95.2	Very high	93.4	Very high	12 Å²	12	56.1 Å²	56.1	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-52.9	-51	173.4	-73.3	173.7	177	-175.3	0	111.6	K82 Q88 L89 V90 L112 E124 W125	K82-K86 WeakPolarHBondContact O-CG 3.43Å; K82-K86 PolarHBondContact O-N 3.19Å; K86-Q88 PolarHBondContact O-N 2.99Å; K86-L89 PolarHBondContact O-N 2.82Å; K86-V90 WeakPolarHBondContact O-CG2 3.22Å; K86-V90 PolarHBondContact O-N 3.16Å; K86-L112 HydrophobicContact CG-CD2 4.1Å; K86-E124 PolarHBondContact NZ-O 3.37Å; K86-W125 HydrophobicContact CB-CD2 4.39Å; K86-W125 HydrophobicContact CB-CH2 3.97Å; K86-W125 HydrophobicContact CB-CZ2 3.62Å; K86-W125 HydrophobicContact CB-CZ3 4.49Å; K86-W125 HydrophobicContact CD-CD2 3.73Å; K86-W125 HydrophobicContact CD-CE3 4.2Å; K86-W125 HydrophobicContact CD-CG 3.85Å; K86-W125 HydrophobicContact CD-CZ2 4.48Å; K86-W125 HydrophobicContact CG-CD2 3.97Å; K86-W125 HydrophobicContact CG-CE3 4.06Å; K86-W125 HydrophobicContact CG-CH2 4.14Å; K86-W125 HydrophobicContact CG-CZ2 4.05Å; K86-W125 HydrophobicContact CG-CZ3 4.15Å
87	Q	94.3	Very high	93	Very high	128 Å²	128	62.7 Å²	62.7	60%	0.598	32%	0.317	S	S	*	.	H	α-helix	trans	-63.9	-39.9	178.8	-72.6	175.7	-0.4	0	0	112.8	N83 S84 A85 L91	N83-Q87 WeakPolarHBondContact O-CG 3.37Å; N83-Q87 PolarHBondContact O-N 2.93Å; S84-Q87 PolarHBondContact O-N 2.9Å; A85-Q87 PolarHBondContact O-N 3.48Å; Q87-L91 WeakPolarHBondContact O-CB 3.33Å; Q87-L91 VanDerWaalsContact O-CG 3.26Å; Q87-L91 WeakPolarHBondContact O-CG 3.5Å; Q87-L91 PolarHBondContact O-N 3.11Å
88	Q	94.5	Very high	92.8	Very high	59 Å²	59	65.4 Å²	65.4	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-64	-45.4	177.6	-76.1	174.9	37.7	0	0	111.4	N46 S84 A85 K86 V90 L91 I92	N46-Q88 PolarHBondContact ND2-OE1 3.42Å; S84-Q88 WeakPolarHBondContact O-CB 3.36Å; S84-Q88 WeakPolarHBondContact O-CG 3.25Å; S84-Q88 PolarHBondContact O-N 2.99Å; S84-Q88 PolarHBondContact OG-NE2 3.03Å; A85-Q88 PolarHBondContact O-N 3.16Å; K86-Q88 PolarHBondContact O-N 2.99Å; Q88-V90 PolarHBondContact O-N 2.87Å; Q88-L91 PolarHBondContact O-N 3.26Å; Q88-I92 WeakPolarHBondContact O-CB 3.42Å; Q88-I92 WeakPolarHBondContact O-CD1 3.48Å; Q88-I92 WeakPolarHBondContact O-CG1 3.33Å; Q88-I92 PolarHBondContact O-N 2.9Å
89	L	95.4	Very high	92.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-47.3	177.8	-71.5	172.3	0	0	0	111.9	L42 A85 K86 L91 I92 L93 V105 L108 I109 L112	L42-L89 HydrophobicContact CD1-CD2 3.62Å; L42-L89 HydrophobicContact CD1-CG 3.92Å; A85-L89 WeakPolarHBondContact O-CG 3.29Å; A85-L89 PolarHBondContact O-N 3.15Å; K86-L89 PolarHBondContact O-N 2.82Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-L91 PolarHBondContact O-N 2.98Å; L89-I92 PolarHBondContact O-N 2.94Å; L89-L93 WeakPolarHBondContact O-CB 3.45Å; L89-L93 PolarHBondContact O-N 2.72Å; L89-V105 HydrophobicContact CD2-CG1 4.4Å; L89-L108 HydrophobicContact CD1-CG 4.49Å; L89-L108 HydrophobicContact CD2-CD2 3.6Å; L89-L108 HydrophobicContact CD2-CG 4.21Å; L89-I109 HydrophobicContact CB-CD1 3.98Å; L89-I109 HydrophobicContact CB-CG1 3.77Å; L89-I109 HydrophobicContact CD1-CG1 4.29Å; L89-I109 HydrophobicContact CG-CG1 4.49Å; L89-L112 HydrophobicContact CD1-CD2 3.85Å
90	V	95.1	Very high	92.2	Very high	21 Å²	21	64.9 Å²	64.9	13%	0.127	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-46.1	174.4	169.5	0	0	0	0	111.1	K86 Q88 L93 V94 W125 F128 I131 W135	K86-V90 WeakPolarHBondContact O-CG2 3.22Å; K86-V90 PolarHBondContact O-N 3.16Å; Q88-V90 PolarHBondContact O-N 2.87Å; V90-L93 PolarHBondContact O-N 2.91Å; V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 3.08Å; V90-V94 VanDerWaalsContact O-N 3.07Å; V90-W125 HydrophobicContact CG2-CH2 3.92Å; V90-W125 HydrophobicContact CG2-CZ2 3.73Å; V90-F128 HydrophobicContact CG2-CE2 4.46Å; V90-I131 HydrophobicContact CG1-CD1 4.36Å; V90-I131 HydrophobicContact CG1-CG2 4.24Å; V90-I131 HydrophobicContact CG2-CD1 4.27Å; V90-W135 HydrophobicContact CB-CZ2 4.47Å; V90-W135 HydrophobicContact CG1-CH2 4.42Å; V90-W135 HydrophobicContact CG1-CZ2 3.8Å; V90-W135 HydrophobicContact CG2-CH2 4.43Å
91	L	93.2	Very high	92.1	Very high	96 Å²	96	56.8 Å²	56.8	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-67.6	-39.1	179.7	-75	170.3	0	0	0	113	Q87 Q88 L89 L93 H95	Q87-L91 WeakPolarHBondContact O-CB 3.33Å; Q87-L91 VanDerWaalsContact O-CG 3.26Å; Q87-L91 WeakPolarHBondContact O-CG 3.5Å; Q87-L91 PolarHBondContact O-N 3.11Å; Q88-L91 PolarHBondContact O-N 3.26Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-L91 PolarHBondContact O-N 2.98Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-H95 WeakPolarHBondContact O-CB 3.39Å; L91-H95 PolarHBondContact O-N 3.15Å; L91-H95 VanDerWaalsContact O-N 3.12Å; L91-H95 PolarHBondContact O-ND1 3.48Å
92	I	92.4	Very high	92	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-52.4	175.4	-69.9	160.4	0	0	0	108.4	L42 L45 N46 Q88 L89 V94 H95 E96 V105	L42-I92 HydrophobicContact CD1-CD1 4.25Å; L45-I92 HydrophobicContact CB-CD1 3.98Å; N46-I92 WeakPolarHBondContact OD1-CD1 3.44Å; N46-I92 WeakPolarHBondContact OD1-CG1 3.42Å; Q88-I92 WeakPolarHBondContact O-CB 3.42Å; Q88-I92 WeakPolarHBondContact O-CD1 3.48Å; Q88-I92 WeakPolarHBondContact O-CG1 3.33Å; Q88-I92 PolarHBondContact O-N 2.9Å; L89-I92 PolarHBondContact O-N 2.94Å; I92-V94 PolarHBondContact O-N 3.3Å; I92-H95 PolarHBondContact O-N 2.7Å; I92-E96 WeakPolarHBondContact O-CB 3.49Å; I92-E96 PolarHBondContact O-N 3.12Å; I92-V105 HydrophobicContact CG2-CG1 4.18Å; I92-V105 HydrophobicContact CG2-CG2 3.93Å
93	L	93.2	Very high	91.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-47.7	-177.3	-171.7	155.3	0	0	0	112	L89 V90 L91 H95 E96 V105 A106 I109 W135 L143 I146 I150	L89-L93 WeakPolarHBondContact O-CB 3.45Å; L89-L93 PolarHBondContact O-N 2.72Å; V90-L93 PolarHBondContact O-N 2.91Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L93-H95 VanDerWaalsContact C-N 3.34Å; L93-H95 PolarHBondContact O-N 3.48Å; L93-E96 PolarHBondContact O-N 3.2Å; L93-V105 HydrophobicContact CB-CG1 4.09Å; L93-V105 HydrophobicContact CD1-CG1 4.47Å; L93-A106 HydrophobicContact CD1-CB 4.01Å; L93-I109 HydrophobicContact CB-CD1 4.3Å; L93-I109 HydrophobicContact CD1-CD1 3.55Å; L93-W135 HydrophobicContact CD1-CH2 4.05Å; L93-W135 HydrophobicContact CD1-CZ3 4.14Å; L93-W135 HydrophobicContact CD2-CE3 4.44Å; L93-W135 HydrophobicContact CD2-CH2 3.8Å; L93-W135 HydrophobicContact CD2-CZ2 4.04Å; L93-W135 HydrophobicContact CD2-CZ3 4.03Å; L93-W135 HydrophobicContact CG-CH2 4.38Å; L93-L143 HydrophobicContact CD2-CD2 3.94Å; L93-I146 HydrophobicContact CD1-CG2 3.72Å; L93-I146 HydrophobicContact CD2-CG2 3.83Å; L93-I146 HydrophobicContact CG-CG2 4.13Å; L93-I150 HydrophobicContact CD1-CD1 4.16Å
94	V	91.6	Very high	91.7	Very high	59 Å²	59	57 Å²	57	36%	0.358	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-33.7	-178.6	172.5	0	0	0	0	112.9	V90 I92 W135 L143	V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 3.08Å; V90-V94 VanDerWaalsContact O-N 3.07Å; I92-V94 PolarHBondContact O-N 3.3Å; V94-W135 HydrophobicContact CG2-CZ2 3.68Å; V94-L143 HydrophobicContact CG2-CD2 4.44Å
95	H	90	Very high	91.7	Very high	117 Å²	117	54.8 Å²	54.8	54%	0.542	25%	0.251	S	S	.	.	H	α-helix	trans	-96.8	1.5	-178.9	-63.8	92.6	0	0	0	113.8	K48 L91 I92 L93	K48-H95 PolarHBondContact NZ-O 3.38Å; L91-H95 WeakPolarHBondContact O-CB 3.39Å; L91-H95 PolarHBondContact O-N 3.15Å; L91-H95 VanDerWaalsContact O-N 3.12Å; L91-H95 PolarHBondContact O-ND1 3.48Å; I92-H95 PolarHBondContact O-N 2.7Å; L93-H95 VanDerWaalsContact C-N 3.34Å; L93-H95 PolarHBondContact O-N 3.48Å
96	E	90.7	Very high	91.6	Very high	16 Å²	16	54.6 Å²	54.6	8%	0.075	25%	0.25	C	C	.	.			trans	-83	135.5	178.2	-172.9	56.4	-86.8	0	0	110.4	R55 I92 L93 E98 M101 R102	R55-E96 IonicContact CZ-OE2 3.28Å; R55-E96 VanDerWaalsContact CZ-OE2 3.28Å; R55-E96 IonicContact NH1-OE2 2.92Å; R55-E96 PolarHBondContact NH1-OE2 2.71Å; R55-E96 IonicContact NH2-OE2 2.72Å; R55-E96 PolarHBondContact NH2-OE2 2.96Å; I92-E96 WeakPolarHBondContact O-CB 3.49Å; I92-E96 PolarHBondContact O-N 3.12Å; L93-E96 PolarHBondContact O-N 3.2Å; E96-E98 HydrophobicContact CG-CB 4.48Å; E96-E98 PolarHBondContact OE1-N 3.29Å; E96-M101 HydrophobicContact CG-CB 3.73Å; E96-M101 HydrophobicContact CG-CG 3.74Å; E96-M101 WeakPolarHBondContact OE2-CG 3.36Å; E96-R102 HydrophobicContact CB-CG 3.8Å; E96-R102 HydrophobicContact CG-CG 4.06Å; E96-R102 WeakPolarHBondContact O-CD 3.4Å; E96-R102 PolarHBondContact O-NE 3.19Å
97	R	85.5	Confident	91.4	Very high	219 Å²	219	55.3 Å²	55.3	83%	0.826	25%	0.254	S	S	*	.			trans	-103.4	-30.5	-179.1	-66.2	-172.5	178.1	-174.7	-1.4	111.7	Q99 R102	R97-Q99 PolarHBondContact O-N 2.86Å; R97-R102 PolarHBondContact O-NH2 3.13Å
98	E	88.9	Confident	91.4	Very high	70 Å²	70	49.3 Å²	49.3	33%	0.327	23%	0.226	S	C	.	.			trans	-70	118.5	175	-177.1	171.6	-162.8	0	0	110.2	S52 H56 E96 L100 M101 R102	S52-E98 PolarHBondContact OG-OE1 3.04Å; S52-E98 PolarHBondContact OG-OE2 3.21Å; H56-E98 IonicContact CE1-OE1 3.5Å; H56-E98 PolarHBondContact CE1-OE1 3.08Å; H56-E98 IonicContact NE2-OE1 3.73Å; H56-E98 PolarHBondContact NE2-OE1 3.11Å; H56-E98 IonicContact NE2-OE2 3.91Å; E96-E98 HydrophobicContact CG-CB 4.48Å; E96-E98 PolarHBondContact OE1-N 3.29Å; E98-L100 HydrophobicContact CG-CB 4.47Å; E98-M101 HydrophobicContact CB-CB 3.98Å; E98-M101 HydrophobicContact CG-CB 4.04Å; E98-M101 PolarHBondContact O-N 2.82Å; E98-R102 PolarHBondContact O-N 3.06Å
99	Q	85	Confident	91.5	Very high	84 Å²	84	46.5 Å²	46.5	39%	0.393	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-40.8	-174.7	-168	173.6	5.6	0	0	111.9	R97 M101 R102 R103 E145	R97-Q99 PolarHBondContact O-N 2.86Å; Q99-M101 VanDerWaalsContact C-N 3.34Å; Q99-M101 PolarHBondContact O-N 3Å; Q99-R102 WeakPolarHBondContact O-CB 3.41Å; Q99-R102 PolarHBondContact O-N 2.69Å; Q99-R102 VanDerWaalsContact O-N 3.14Å; Q99-R103 PolarHBondContact O-N 2.74Å; Q99-E145 PolarHBondContact NE2-OE1 3.16Å; Q99-E145 PolarHBondContact NE2-OE2 3.35Å
100	L	87.2	Confident	91.3	Very high	87 Å²	87	46.6 Å²	46.6	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-59.2	-44.6	175.7	-177.4	60.2	0	0	0	111.8	E98 R103 K104	E98-L100 HydrophobicContact CG-CB 4.47Å; L100-R103 PolarHBondContact O-N 2.96Å; L100-K104 WeakPolarHBondContact O-CG 3.23Å; L100-K104 PolarHBondContact O-N 3.04Å
101	M	91.5	Very high	91.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-40.4	175.1	-171.7	64	68.9	0	0	111.8	R55 H56 E96 E98 Q99 R103 K104 V105	R55-M101 HydrophobicContact CB-CE 3.24Å; R55-M101 HydrophobicContact CB-SD 4.18Å; R55-M101 HydrophobicContact CG-CE 4.43Å; H56-M101 WeakPolarHBondContact CD2-CE 3.44Å; H56-M101 WeakPolarHBondContact NE2-CE 3.46Å; E96-M101 HydrophobicContact CG-CB 3.73Å; E96-M101 HydrophobicContact CG-CG 3.74Å; E96-M101 WeakPolarHBondContact OE2-CG 3.36Å; E98-M101 HydrophobicContact CB-CB 3.98Å; E98-M101 HydrophobicContact CG-CB 4.04Å; E98-M101 PolarHBondContact O-N 2.82Å; Q99-M101 VanDerWaalsContact C-N 3.34Å; Q99-M101 PolarHBondContact O-N 3Å; M101-R103 VanDerWaalsContact C-N 3.33Å; M101-R103 PolarHBondContact O-N 2.94Å; M101-K104 PolarHBondContact O-N 2.94Å; M101-V105 HydrophobicContact CG-CG2 4.36Å; M101-V105 WeakPolarHBondContact O-CB 3.04Å; M101-V105 VanDerWaalsContact O-CG2 3.31Å; M101-V105 WeakPolarHBondContact O-CG2 3.34Å; M101-V105 PolarHBondContact O-N 3.14Å; M101-V105 HydrophobicContact SD-CG2 4.34Å
102	R	91.3	Very high	91.2	Very high	36 Å²	36	41.2 Å²	41.2	14%	0.136	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-47	174.4	-93.1	-172.4	-88.8	-177.8	-8.4	111.4	E96 R97 E98 Q99 V105 A106 D140 I146	E96-R102 HydrophobicContact CB-CG 3.8Å; E96-R102 HydrophobicContact CG-CG 4.06Å; E96-R102 WeakPolarHBondContact O-CD 3.4Å; E96-R102 PolarHBondContact O-NE 3.19Å; R97-R102 PolarHBondContact O-NH2 3.13Å; E98-R102 PolarHBondContact O-N 3.06Å; Q99-R102 WeakPolarHBondContact O-CB 3.41Å; Q99-R102 PolarHBondContact O-N 2.69Å; Q99-R102 VanDerWaalsContact O-N 3.14Å; R102-V105 PolarHBondContact O-N 2.88Å; R102-A106 VanDerWaalsContact O-CB 3.3Å; R102-A106 WeakPolarHBondContact O-CB 3.31Å; R102-A106 PolarHBondContact O-N 3.29Å; R102-D140 IonicContact NH1-OD2 2.83Å; R102-I146 HydrophobicContact CB-CD1 4Å; R102-I146 HydrophobicContact CB-CG1 4.28Å
103	R	89.9	Confident	91.2	Very high	95 Å²	95	40.8 Å²	40.8	36%	0.358	18%	0.182	S	C	.	.	H	α-helix	trans	-61.2	-50.8	176.1	-69.8	-177	-174.9	170.2	-0	111.7	Q99 L100 M101 V105 A106 D107 E145 I146	Q99-R103 PolarHBondContact O-N 2.74Å; L100-R103 PolarHBondContact O-N 2.96Å; M101-R103 VanDerWaalsContact C-N 3.33Å; M101-R103 PolarHBondContact O-N 2.94Å; R103-V105 VanDerWaalsContact C-N 3.3Å; R103-V105 PolarHBondContact O-N 2.92Å; R103-A106 CarbonylContact O-C 3.54Å; R103-A106 WeakPolarHBondContact O-CA 3.49Å; R103-A106 WeakPolarHBondContact O-CB 3.5Å; R103-A106 PolarHBondContact O-N 3.37Å; R103-D107 PolarHBondContact O-N 3.04Å; R103-E145 IonicContact CZ-OE1 2.69Å; R103-E145 IonicContact NE-OE1 2.67Å; R103-E145 PolarHBondContact NE-OE1 3.43Å; R103-E145 VanDerWaalsContact NE-OE1 3.14Å; R103-E145 IonicContact NH2-OE1 3.54Å; R103-E145 PolarHBondContact NH2-OE1 3.17Å; R103-I146 HydrophobicContact CG-CD1 3.89Å
104	K	91.3	Very high	91	Very high	36 Å²	36	44 Å²	44	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-35.8	179.1	-68.1	-172.9	-177.8	-58.8	0	114	H56 A59 I60 L100 M101 D107 L108	H56-K104 HydrophobicContact CB-CD 3.92Å; A59-K104 HydrophobicContact CB-CB 3.75Å; I60-K104 HydrophobicContact CD1-CD 4.24Å; I60-K104 HydrophobicContact CG1-CD 4.13Å; L100-K104 WeakPolarHBondContact O-CG 3.23Å; L100-K104 PolarHBondContact O-N 3.04Å; M101-K104 PolarHBondContact O-N 2.94Å; K104-D107 WeakPolarHBondContact CA-OD2 3.28Å; K104-L108 PolarHBondContact O-N 3.48Å
105	V	94.4	Very high	90.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-73.5	-35.6	173.4	175.7	0	0	0	0	111	L89 I92 L93 M101 R102 R103 L108 I109	L89-V105 HydrophobicContact CD2-CG1 4.4Å; I92-V105 HydrophobicContact CG2-CG1 4.18Å; I92-V105 HydrophobicContact CG2-CG2 3.93Å; L93-V105 HydrophobicContact CB-CG1 4.09Å; L93-V105 HydrophobicContact CD1-CG1 4.47Å; M101-V105 HydrophobicContact CG-CG2 4.36Å; M101-V105 WeakPolarHBondContact O-CB 3.04Å; M101-V105 VanDerWaalsContact O-CG2 3.31Å; M101-V105 WeakPolarHBondContact O-CG2 3.34Å; M101-V105 PolarHBondContact O-N 3.14Å; M101-V105 HydrophobicContact SD-CG2 4.34Å; R102-V105 PolarHBondContact O-N 2.88Å; R103-V105 VanDerWaalsContact C-N 3.3Å; R103-V105 PolarHBondContact O-N 2.92Å; V105-L108 PolarHBondContact O-N 2.89Å; V105-I109 HydrophobicContact CG1-CD1 4.11Å; V105-I109 WeakPolarHBondContact O-CG1 3.42Å; V105-I109 PolarHBondContact O-N 3.29Å
106	A	93.6	Very high	90.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-45.7	172.4	0	0	0	0	0	111	L93 R102 R103 L108 I109 S110 I146 I150	L93-A106 HydrophobicContact CD1-CB 4.01Å; R102-A106 VanDerWaalsContact O-CB 3.3Å; R102-A106 WeakPolarHBondContact O-CB 3.31Å; R102-A106 PolarHBondContact O-N 3.29Å; R103-A106 CarbonylContact O-C 3.54Å; R103-A106 WeakPolarHBondContact O-CA 3.49Å; R103-A106 WeakPolarHBondContact O-CB 3.5Å; R103-A106 PolarHBondContact O-N 3.37Å; A106-L108 VanDerWaalsContact C-N 3.29Å; A106-L108 PolarHBondContact O-N 3.33Å; A106-I109 CarbonylContact O-C 3.57Å; A106-I109 WeakPolarHBondContact O-CA 3.28Å; A106-I109 WeakPolarHBondContact O-CB 3.34Å; A106-I109 PolarHBondContact O-N 3.27Å; A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-OG 2.95Å; A106-S110 VanDerWaalsContact O-OG 3.08Å; A106-I146 HydrophobicContact CB-CD1 4.22Å; A106-I146 HydrophobicContact CB-CG2 3.78Å; A106-I150 HydrophobicContact CB-CD1 3.96Å; A106-I150 HydrophobicContact CB-CG1 3.75Å
107	D	91.4	Very high	90.7	Very high	26 Å²	26	40 Å²	40	14%	0.139	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-40.5	177.1	-52.1	-32.2	0	0	0	112	R63 R103 K104 S110 E111 H149	R63-D107 VanDerWaalsContact CD-CB 3.48Å; R103-D107 PolarHBondContact O-N 3.04Å; K104-D107 WeakPolarHBondContact CA-OD2 3.28Å; D107-S110 WeakPolarHBondContact O-CB 3.26Å; D107-S110 PolarHBondContact O-N 3.4Å; D107-E111 WeakPolarHBondContact O-CB 3.4Å; D107-E111 PolarHBondContact O-N 2.77Å; D107-H149 IonicContact OD1-CD2 3.93Å; D107-H149 IonicContact OD1-CE1 2.88Å; D107-H149 IonicContact OD1-NE2 3.91Å; D107-H149 PolarHBondContact OD1-NE2 3.27Å
108	L	93.7	Very high	90.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-40	174.2	174.3	59.9	0	0	0	112	L45 A62 R63 L66 L89 K104 V105 A106 L112	L45-L108 HydrophobicContact CD1-CD2 3.72Å; A62-L108 HydrophobicContact CB-CD1 3.77Å; A62-L108 HydrophobicContact CB-CD2 3.72Å; A62-L108 HydrophobicContact CB-CG 4.41Å; R63-L108 HydrophobicContact CB-CD1 4.39Å; L66-L108 HydrophobicContact CD1-CD1 3.7Å; L66-L108 HydrophobicContact CG-CD1 4.34Å; L89-L108 HydrophobicContact CD1-CG 4.49Å; L89-L108 HydrophobicContact CD2-CD2 3.6Å; L89-L108 HydrophobicContact CD2-CG 4.21Å; K104-L108 PolarHBondContact O-N 3.48Å; V105-L108 PolarHBondContact O-N 2.89Å; A106-L108 VanDerWaalsContact C-N 3.29Å; A106-L108 PolarHBondContact O-N 3.33Å; L108-L112 PolarHBondContact O-N 3.44Å
109	I	95.3	Very high	90.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-45.3	175.4	-71.8	169.6	0	0	0	110.4	L89 L93 V105 A106 E111 L112 V113 W125 F128 I150	L89-I109 HydrophobicContact CB-CD1 3.98Å; L89-I109 HydrophobicContact CB-CG1 3.77Å; L89-I109 HydrophobicContact CD1-CG1 4.29Å; L89-I109 HydrophobicContact CG-CG1 4.49Å; L93-I109 HydrophobicContact CB-CD1 4.3Å; L93-I109 HydrophobicContact CD1-CD1 3.55Å; V105-I109 HydrophobicContact CG1-CD1 4.11Å; V105-I109 WeakPolarHBondContact O-CG1 3.42Å; V105-I109 PolarHBondContact O-N 3.29Å; A106-I109 CarbonylContact O-C 3.57Å; A106-I109 WeakPolarHBondContact O-CA 3.28Å; A106-I109 WeakPolarHBondContact O-CB 3.34Å; A106-I109 PolarHBondContact O-N 3.27Å; I109-E111 VanDerWaalsContact C-N 3.26Å; I109-E111 PolarHBondContact O-N 2.88Å; I109-L112 PolarHBondContact O-N 3.45Å; I109-L112 VanDerWaalsContact O-N 3.13Å; I109-V113 HydrophobicContact CG2-CG2 4.07Å; I109-V113 VanDerWaalsContact O-CG2 3.25Å; I109-V113 WeakPolarHBondContact O-CG2 3.37Å; I109-V113 PolarHBondContact O-N 2.91Å; I109-W125 HydrophobicContact CG2-CH2 4.45Å; I109-W125 HydrophobicContact CG2-CZ3 4.32Å; I109-F128 HydrophobicContact CG2-CD2 4.48Å; I109-F128 HydrophobicContact CG2-CE1 4.22Å; I109-F128 HydrophobicContact CG2-CE2 3.46Å; I109-F128 VanDerWaalsContact CG2-CE2 3.46Å; I109-F128 HydrophobicContact CG2-CZ 3.31Å; I109-I150 HydrophobicContact CG2-CD1 4.2Å
110	S	93.1	Very high	90.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-52.9	-48.2	175.4	-63.8	0	0	0	0	110.4	A106 D107 L112 V113 R114 S153 V154	A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-OG 2.95Å; A106-S110 VanDerWaalsContact O-OG 3.08Å; D107-S110 WeakPolarHBondContact O-CB 3.26Å; D107-S110 PolarHBondContact O-N 3.4Å; S110-L112 PolarHBondContact O-N 2.93Å; S110-V113 PolarHBondContact O-N 3.42Å; S110-R114 WeakPolarHBondContact O-CB 3.47Å; S110-R114 PolarHBondContact O-N 3.11Å; S110-S153 VanDerWaalsContact CB-CB 3.44Å; S110-S153 VanDerWaalsContact OG-CB 3.25Å; S110-S153 WeakPolarHBondContact OG-CB 3.45Å; S110-S153 PolarHBondContact OG-OG 3.48Å; S110-V154 WeakPolarHBondContact O-CG2 3.43Å
111	E	91.1	Very high	90.1	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-45	177.8	-172.9	52.3	-136.2	0	0	112.5	R63 L66 V67 D107 I109 V113 R114 M115 R665	R63-E111 HydrophobicContact CG-CB 4.14Å; R63-E111 HydrophobicContact CG-CG 4.4Å; L66-E111 HydrophobicContact CB-CG 3.64Å; L66-E111 HydrophobicContact CD1-CG 4.38Å; V67-E111 VanDerWaalsContact CG2-CD 3.49Å; V67-E111 HydrophobicContact CG2-CG 3.85Å; V67-E111 WeakPolarHBondContact CG2-OE2 3.41Å; D107-E111 WeakPolarHBondContact O-CB 3.4Å; D107-E111 PolarHBondContact O-N 2.77Å; I109-E111 VanDerWaalsContact C-N 3.26Å; I109-E111 PolarHBondContact O-N 2.88Å; E111-V113 PolarHBondContact O-N 3.05Å; E111-R114 PolarHBondContact O-N 3.34Å; E111-M115 WeakPolarHBondContact O-CG 3.5Å; E111-M115 PolarHBondContact O-N 3.26Å; E111-M115 VanDerWaalsContact OE1-CE 3.26Å; E111-M115 WeakPolarHBondContact OE1-CE 3.35Å; E111-R665 IonicContact OE1-CZ 3.04Å; E111-R665 IonicContact OE1-NH2 3.26Å; E111-R665 PolarHBondContact OE1-NH2 2.93Å; E111-R665 IonicContact OE2-CZ 3.59Å; E111-R665 IonicContact OE2-NE 4Å; E111-R665 PolarHBondContact OE2-NE 3.06Å; E111-R665 IonicContact OE2-NH2 3.94Å; E111-R665 PolarHBondContact OE2-NH2 3.04Å
112	L	93.4	Very high	89.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-40.6	177.2	-176.9	60.6	0	0	0	112.4	L66 Y70 F74 K86 L89 L108 I109 S110 M115 Q116 W125	L66-L112 HydrophobicContact CD1-CB 3.98Å; L66-L112 HydrophobicContact CD1-CD1 4.19Å; Y70-L112 HydrophobicContact CE2-CD1 4.18Å; F74-L112 HydrophobicContact CD1-CD1 3.85Å; F74-L112 HydrophobicContact CD2-CD1 3.98Å; F74-L112 HydrophobicContact CE1-CD1 3.71Å; F74-L112 HydrophobicContact CE2-CD1 3.85Å; F74-L112 HydrophobicContact CE2-CD2 4.22Å; F74-L112 HydrophobicContact CG-CD1 3.98Å; F74-L112 HydrophobicContact CZ-CD1 3.72Å; F74-L112 HydrophobicContact CZ-CD2 4.2Å; K86-L112 HydrophobicContact CG-CD2 4.1Å; L89-L112 HydrophobicContact CD1-CD2 3.85Å; L108-L112 PolarHBondContact O-N 3.44Å; I109-L112 PolarHBondContact O-N 3.45Å; I109-L112 VanDerWaalsContact O-N 3.13Å; S110-L112 PolarHBondContact O-N 2.93Å; L112-M115 PolarHBondContact O-N 2.94Å; L112-Q116 HydrophobicContact CD1-CG 4.38Å; L112-Q116 WeakPolarHBondContact O-CB 3.34Å; L112-Q116 WeakPolarHBondContact O-CG 3.38Å; L112-Q116 PolarHBondContact O-N 2.9Å; L112-W125 HydrophobicContact CD2-CZ3 4.14Å
113	V	92.8	Very high	89.8	Confident	2 Å²	2	40 Å²	40	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-42.2	178.2	172.2	0	0	0	0	110.5	I109 S110 E111 M115 Q116 F117 W125 F128 V154 L157	I109-V113 HydrophobicContact CG2-CG2 4.07Å; I109-V113 VanDerWaalsContact O-CG2 3.25Å; I109-V113 WeakPolarHBondContact O-CG2 3.37Å; I109-V113 PolarHBondContact O-N 2.91Å; S110-V113 PolarHBondContact O-N 3.42Å; E111-V113 PolarHBondContact O-N 3.05Å; V113-M115 VanDerWaalsContact C-N 3.26Å; V113-M115 PolarHBondContact O-N 3.3Å; V113-Q116 PolarHBondContact O-N 3.06Å; V113-Q116 VanDerWaalsContact O-N 3.07Å; V113-F117 HydrophobicContact CG1-CE2 4.38Å; V113-F117 WeakPolarHBondContact O-CD2 3.15Å; V113-F117 WeakPolarHBondContact O-CE2 3.38Å; V113-W125 HydrophobicContact CG2-CE3 3.77Å; V113-W125 HydrophobicContact CG2-CZ3 3.77Å; V113-F128 HydrophobicContact CB-CD1 4.49Å; V113-F128 HydrophobicContact CG1-CD1 4.17Å; V113-F128 HydrophobicContact CG1-CE1 4.5Å; V113-F128 HydrophobicContact CG2-CD1 3.48Å; V113-F128 VanDerWaalsContact CG2-CD1 3.48Å; V113-F128 HydrophobicContact CG2-CD2 4.33Å; V113-F128 HydrophobicContact CG2-CE1 3.57Å; V113-F128 HydrophobicContact CG2-CE2 4.4Å; V113-F128 HydrophobicContact CG2-CG 3.9Å; V113-F128 HydrophobicContact CG2-CZ 4.05Å; V113-V154 HydrophobicContact CG1-CG1 4.28Å; V113-L157 HydrophobicContact CG1-CD1 4.18Å; V113-L157 HydrophobicContact CG1-CG 4.35Å
114	R	89.9	Confident	89.7	Confident	68 Å²	68	40.8 Å²	40.8	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-57.4	-39.7	177.6	-166.5	-170.9	-54.5	-80.9	3.1	112.2	S110 E111 Q116 S153 V154	S110-R114 WeakPolarHBondContact O-CB 3.47Å; S110-R114 PolarHBondContact O-N 3.11Å; E111-R114 PolarHBondContact O-N 3.34Å; R114-Q116 VanDerWaalsContact C-N 3.27Å; R114-Q116 PolarHBondContact O-N 3.13Å; R114-S153 VanDerWaalsContact CZ-O 3.29Å; R114-S153 PolarHBondContact NH1-O 2.77Å; R114-S153 PolarHBondContact NH2-O 2.74Å; R114-V154 HydrophobicContact CB-CG1 4.36Å; R114-V154 HydrophobicContact CB-CG2 4.26Å
115	M	89.6	Confident	89.7	Confident	56 Å²	56	39.6 Å²	39.6	28%	0.276	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.8	179.9	-60.3	-59.7	130.3	0	0	114.3	Y70 E111 L112 V113	Y70-M115 HydrophobicContact CD1-CB 4.04Å; Y70-M115 HydrophobicContact CD1-CG 4.43Å; Y70-M115 HydrophobicContact CD2-CB 3.47Å; Y70-M115 VanDerWaalsContact CD2-CB 3.47Å; Y70-M115 HydrophobicContact CD2-CG 3.79Å; Y70-M115 HydrophobicContact CE1-CB 4Å; Y70-M115 HydrophobicContact CE2-CB 3.45Å; Y70-M115 VanDerWaalsContact CE2-CB 3.45Å; Y70-M115 HydrophobicContact CE2-CG 4.28Å; Y70-M115 HydrophobicContact CG-CB 3.78Å; Y70-M115 HydrophobicContact CG-CG 3.88Å; Y70-M115 HydrophobicContact CG-SD 4.5Å; Y70-M115 PolarHBondContact OH-O 3.46Å; E111-M115 WeakPolarHBondContact O-CG 3.5Å; E111-M115 PolarHBondContact O-N 3.26Å; E111-M115 VanDerWaalsContact OE1-CE 3.26Å; E111-M115 WeakPolarHBondContact OE1-CE 3.35Å; L112-M115 PolarHBondContact O-N 2.94Å; V113-M115 VanDerWaalsContact C-N 3.26Å; V113-M115 PolarHBondContact O-N 3.3Å
116	Q	89.1	Confident	89.4	Confident	2 Å²	2	43 Å²	43	1%	0.009	23%	0.229	C	C	.	.			trans	-110.6	44.2	-174.5	-75.7	-82.3	-68.5	0	0	111.6	Y70 L112 V113 R114 S123 E124	Y70-Q116 PolarHBondContact OH-NE2 3.42Å; L112-Q116 HydrophobicContact CD1-CG 4.38Å; L112-Q116 WeakPolarHBondContact O-CB 3.34Å; L112-Q116 WeakPolarHBondContact O-CG 3.38Å; L112-Q116 PolarHBondContact O-N 2.9Å; V113-Q116 PolarHBondContact O-N 3.06Å; V113-Q116 VanDerWaalsContact O-N 3.07Å; R114-Q116 VanDerWaalsContact C-N 3.27Å; R114-Q116 PolarHBondContact O-N 3.13Å; Q116-S123 CarbonylContact O-C 2.96Å; Q116-S123 VanDerWaalsContact O-CA 3.32Å; Q116-S123 WeakPolarHBondContact O-CA 3.44Å; Q116-S123 PolarHBondContact O-OG 2.94Å; Q116-E124 HydrophobicContact CB-CB 4.26Å; Q116-E124 PolarHBondContact NE2-OE2 3.23Å; Q116-E124 PolarHBondContact O-N 2.99Å
117	F	87.6	Confident	89.2	Confident	49 Å²	49	48.5 Å²	48.5	22%	0.215	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-123.2	139.6	171.3	-73.8	-90.1	0	0	0	110	V113 N122 S156	V113-F117 HydrophobicContact CG1-CE2 4.38Å; V113-F117 WeakPolarHBondContact O-CD2 3.15Å; V113-F117 WeakPolarHBondContact O-CE2 3.38Å; F117-N122 WeakPolarHBondContact CA-O 3.43Å; F117-S156 WeakPolarHBondContact CZ-O 3.42Å
118	D	86.6	Confident	89.4	Confident	66 Å²	66	47.3 Å²	47.3	35%	0.353	25%	0.248	S	C	.	.			trans	-79.1	170.4	169.8	66.7	17	0	0	0	111.6	D120 G121 N122	D118-D120 PolarHBondContact O-N 2.97Å; D118-D120 VanDerWaalsContact O-N 3.11Å; D118-D120 WeakPolarHBondContact OD1-CA 3.15Å; D118-D120 WeakPolarHBondContact OD1-CB 3.47Å; D118-D120 PolarHBondContact OD1-N 3.19Å; D118-D120 VanDerWaalsContact OD1-N 3.13Å; D118-G121 PolarHBondContact O-N 3.01Å; D118-G121 PolarHBondContact OD1-N 3.48Å; D118-N122 PolarHBondContact N-O 3.37Å; D118-N122 WeakPolarHBondContact OD1-CB 3.25Å; D118-N122 PolarHBondContact OD1-N 3.06Å; D118-N122 PolarHBondContact OD1-ND2 3.33Å; D118-N122 WeakPolarHBondContact OD2-CB 3.39Å; D118-N122 PolarHBondContact OD2-ND2 3.08Å; D118-N122 VanDerWaalsContact OD2-ND2 3.1Å
119	D	81.7	Confident	89.3	Confident	180 Å²	180	48.1 Å²	48.1	96%	0.963	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.7	178.7	-64.3	-26	0	0	0	112.8	G121	D119-G121 VanDerWaalsContact C-N 3.35Å
120	D	83.3	Confident	89.1	Confident	125 Å²	125	52 Å²	52	67%	0.668	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.7	177.3	-70.2	-41.5	0	0	0	112.4	D118 N160	D118-D120 PolarHBondContact O-N 2.97Å; D118-D120 VanDerWaalsContact O-N 3.11Å; D118-D120 WeakPolarHBondContact OD1-CA 3.15Å; D118-D120 WeakPolarHBondContact OD1-CB 3.47Å; D118-D120 PolarHBondContact OD1-N 3.19Å; D118-D120 VanDerWaalsContact OD1-N 3.13Å; D120-N160 PolarHBondContact O-ND2 3.27Å; D120-N160 PolarHBondContact O-OD1 3.3Å
121	G	82.2	Confident	89.2	Confident	22 Å²	22	53.6 Å²	53.6	23%	0.227	29%	0.288	C	S	.	.	S	Bend	trans	81.8	19.7	179.7	0	0	0	0	0	115.3	D118 D119 G159 N160	D118-G121 PolarHBondContact O-N 3.01Å; D118-G121 PolarHBondContact OD1-N 3.48Å; D119-G121 VanDerWaalsContact C-N 3.35Å; G121-G159 WeakPolarHBondContact O-CA 3.23Å; G121-N160 PolarHBondContact O-N 3.25Å
122	N	86.9	Confident	89.4	Confident	71 Å²	71	53.4 Å²	53.4	38%	0.38	29%	0.287	S	S	.	.			trans	-92.4	136.9	173.4	-48.8	-66.1	0	0	0	111.3	F117 D118 N160	F117-N122 WeakPolarHBondContact CA-O 3.43Å; D118-N122 PolarHBondContact N-O 3.37Å; D118-N122 WeakPolarHBondContact OD1-CB 3.25Å; D118-N122 PolarHBondContact OD1-N 3.06Å; D118-N122 PolarHBondContact OD1-ND2 3.33Å; D118-N122 WeakPolarHBondContact OD2-CB 3.39Å; D118-N122 PolarHBondContact OD2-ND2 3.08Å; D118-N122 VanDerWaalsContact OD2-ND2 3.1Å; N122-N160 PolarHBondContact OD1-ND2 3.28Å
123	S	88	Confident	89.4	Confident	34 Å²	34	55.2 Å²	55.2	24%	0.238	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-76.2	130.4	178.8	-173.8	0	0	0	0	112.3	Q116 W125	Q116-S123 CarbonylContact O-C 2.96Å; Q116-S123 VanDerWaalsContact O-CA 3.32Å; Q116-S123 WeakPolarHBondContact O-CA 3.44Å; Q116-S123 PolarHBondContact O-OG 2.94Å; S123-W125 PolarHBondContact O-N 3.08Å; S123-W125 PolarHBondContact OG-N 3.13Å; S123-W125 VanDerWaalsContact OG-N 3.08Å
124	E	88	Confident	89.5	Confident	110 Å²	110	61.8 Å²	61.8	51%	0.514	33%	0.328	S	S	.	.	S	Bend	trans	-76.5	-4.3	167.3	-62.7	-164.8	147.9	0	0	113	K86 Q116 P126	K86-E124 PolarHBondContact NZ-O 3.37Å; Q116-E124 HydrophobicContact CB-CB 4.26Å; Q116-E124 PolarHBondContact NE2-OE2 3.23Å; Q116-E124 PolarHBondContact O-N 2.99Å; E124-P126 VanDerWaalsContact C-CD 3.44Å
125	W	91.8	Very high	89.7	Confident	12 Å²	12	59.1 Å²	59.1	5%	0.045	32%	0.318	C	S	.	.			trans	-128.9	61.1	174.2	-165.8	6.2	0	0	0	111.6	K86 V90 I109 L112 V113 S123 E127 F128	K86-W125 HydrophobicContact CB-CD2 4.39Å; K86-W125 HydrophobicContact CB-CH2 3.97Å; K86-W125 HydrophobicContact CB-CZ2 3.62Å; K86-W125 HydrophobicContact CB-CZ3 4.49Å; K86-W125 HydrophobicContact CD-CD2 3.73Å; K86-W125 HydrophobicContact CD-CE3 4.2Å; K86-W125 HydrophobicContact CD-CG 3.85Å; K86-W125 HydrophobicContact CD-CZ2 4.48Å; K86-W125 HydrophobicContact CG-CD2 3.97Å; K86-W125 HydrophobicContact CG-CE3 4.06Å; K86-W125 HydrophobicContact CG-CH2 4.14Å; K86-W125 HydrophobicContact CG-CZ2 4.05Å; K86-W125 HydrophobicContact CG-CZ3 4.15Å; V90-W125 HydrophobicContact CG2-CH2 3.92Å; V90-W125 HydrophobicContact CG2-CZ2 3.73Å; I109-W125 HydrophobicContact CG2-CH2 4.45Å; I109-W125 HydrophobicContact CG2-CZ3 4.32Å; L112-W125 HydrophobicContact CD2-CZ3 4.14Å; V113-W125 HydrophobicContact CG2-CE3 3.77Å; V113-W125 HydrophobicContact CG2-CZ3 3.77Å; S123-W125 PolarHBondContact O-N 3.08Å; S123-W125 PolarHBondContact OG-N 3.13Å; S123-W125 VanDerWaalsContact OG-N 3.08Å; W125-E127 PolarHBondContact O-N 3.43Å; W125-E127 VanDerWaalsContact O-N 3.16Å; W125-F128 HydrophobicContact CB-CB 4.49Å; W125-F128 HydrophobicContact CD2-CB 3.74Å; W125-F128 HydrophobicContact CD2-CD2 4.18Å; W125-F128 HydrophobicContact CD2-CG 4.19Å; W125-F128 AromaticContact CE2-CD2 3.87Å; W125-F128 HydrophobicContact CE3-CB 4.18Å; W125-F128 HydrophobicContact CE3-CD2 4.12Å; W125-F128 HydrophobicContact CE3-CG 4.19Å; W125-F128 HydrophobicContact CG-CB 3.89Å; W125-F128 AromaticContact CH2-CD2 3.51Å; W125-F128 HydrophobicContact CH2-CD2 3.51Å; W125-F128 AromaticContact CH2-CE2 3.9Å; W125-F128 HydrophobicContact CH2-CE2 3.9Å; W125-F128 HydrophobicContact CH2-CG 4.37Å; W125-F128 HydrophobicContact CZ2-CB 4.44Å; W125-F128 AromaticContact CZ2-CD2 3.55Å; W125-F128 HydrophobicContact CZ2-CD2 3.55Å; W125-F128 HydrophobicContact CZ2-CE2 4.3Å; W125-F128 HydrophobicContact CZ2-CG 4.37Å; W125-F128 AromaticContact CZ3-CD2 3.8Å; W125-F128 HydrophobicContact CZ3-CD2 3.8Å; W125-F128 HydrophobicContact CZ3-CE2 4.23Å; W125-F128 HydrophobicContact CZ3-CG 4.28Å; W125-F128 VanDerWaalsContact O-CB 3.26Å; W125-F128 WeakPolarHBondContact O-CB 3.42Å; W125-F128 PolarHBondContact O-N 3.28Å
126	P	87.6	Confident	89.8	Confident	71 Å²	71	56.9 Å²	56.9	46%	0.461	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.6	-172.3	28	-36.2	0	0	0	113.5	E124 F128	E124-P126 VanDerWaalsContact C-CD 3.44Å; P126-F128 PolarHBondContact O-N 2.93Å
127	E	91	Very high	90	Very high	115 Å²	115	61 Å²	61	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-64.9	-24.8	176	-56.9	85	173.5	0	0	112.2	W125 T129 S130 I131	W125-E127 PolarHBondContact O-N 3.43Å; W125-E127 VanDerWaalsContact O-N 3.16Å; E127-T129 VanDerWaalsContact C-N 3.32Å; E127-T129 PolarHBondContact O-N 2.9Å; E127-S130 WeakPolarHBondContact O-CB 3.37Å; E127-S130 PolarHBondContact O-N 3.19Å; E127-S130 VanDerWaalsContact O-N 3.11Å; E127-I131 WeakPolarHBondContact O-CG1 3.38Å; E127-I131 PolarHBondContact O-N 3.36Å
128	F	94.2	Very high	90.2	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-36.7	-175.9	-167.2	-103.8	0	0	0	112.6	V90 I109 V113 W125 P126 S130 I131 L132 W135 I150 L157	V90-F128 HydrophobicContact CG2-CE2 4.46Å; I109-F128 HydrophobicContact CG2-CD2 4.48Å; I109-F128 HydrophobicContact CG2-CE1 4.22Å; I109-F128 HydrophobicContact CG2-CE2 3.46Å; I109-F128 VanDerWaalsContact CG2-CE2 3.46Å; I109-F128 HydrophobicContact CG2-CZ 3.31Å; V113-F128 HydrophobicContact CB-CD1 4.49Å; V113-F128 HydrophobicContact CG1-CD1 4.17Å; V113-F128 HydrophobicContact CG1-CE1 4.5Å; V113-F128 HydrophobicContact CG2-CD1 3.48Å; V113-F128 VanDerWaalsContact CG2-CD1 3.48Å; V113-F128 HydrophobicContact CG2-CD2 4.33Å; V113-F128 HydrophobicContact CG2-CE1 3.57Å; V113-F128 HydrophobicContact CG2-CE2 4.4Å; V113-F128 HydrophobicContact CG2-CG 3.9Å; V113-F128 HydrophobicContact CG2-CZ 4.05Å; W125-F128 HydrophobicContact CB-CB 4.49Å; W125-F128 HydrophobicContact CD2-CB 3.74Å; W125-F128 HydrophobicContact CD2-CD2 4.18Å; W125-F128 HydrophobicContact CD2-CG 4.19Å; W125-F128 AromaticContact CE2-CD2 3.87Å; W125-F128 HydrophobicContact CE3-CB 4.18Å; W125-F128 HydrophobicContact CE3-CD2 4.12Å; W125-F128 HydrophobicContact CE3-CG 4.19Å; W125-F128 HydrophobicContact CG-CB 3.89Å; W125-F128 AromaticContact CH2-CD2 3.51Å; W125-F128 HydrophobicContact CH2-CD2 3.51Å; W125-F128 AromaticContact CH2-CE2 3.9Å; W125-F128 HydrophobicContact CH2-CE2 3.9Å; W125-F128 HydrophobicContact CH2-CG 4.37Å; W125-F128 HydrophobicContact CZ2-CB 4.44Å; W125-F128 AromaticContact CZ2-CD2 3.55Å; W125-F128 HydrophobicContact CZ2-CD2 3.55Å; W125-F128 HydrophobicContact CZ2-CE2 4.3Å; W125-F128 HydrophobicContact CZ2-CG 4.37Å; W125-F128 AromaticContact CZ3-CD2 3.8Å; W125-F128 HydrophobicContact CZ3-CD2 3.8Å; W125-F128 HydrophobicContact CZ3-CE2 4.23Å; W125-F128 HydrophobicContact CZ3-CG 4.28Å; W125-F128 VanDerWaalsContact O-CB 3.26Å; W125-F128 WeakPolarHBondContact O-CB 3.42Å; W125-F128 PolarHBondContact O-N 3.28Å; P126-F128 PolarHBondContact O-N 2.93Å; F128-S130 VanDerWaalsContact C-N 3.27Å; F128-S130 PolarHBondContact O-N 3.2Å; F128-I131 WeakPolarHBondContact O-CB 3.45Å; F128-I131 PolarHBondContact O-N 2.97Å; F128-I131 VanDerWaalsContact O-N 3.11Å; F128-L132 HydrophobicContact CE1-CD1 4.21Å; F128-L132 WeakPolarHBondContact O-CB 3.48Å; F128-L132 PolarHBondContact O-N 3.03Å; F128-W135 HydrophobicContact CE2-CH2 4.39Å; F128-W135 HydrophobicContact CE2-CZ3 4.32Å; F128-W135 HydrophobicContact CZ-CZ3 4.29Å; F128-I150 HydrophobicContact CE1-CG2 3.79Å; F128-I150 HydrophobicContact CZ-CD1 4.17Å; F128-I150 HydrophobicContact CZ-CG2 3.96Å; F128-L157 HydrophobicContact CD1-CD1 3.72Å; F128-L157 HydrophobicContact CD1-CG 4.48Å; F128-L157 HydrophobicContact CE1-CD1 3.65Å
129	T	91.7	Very high	90.3	Very high	19 Å²	19	63 Å²	63	12%	0.117	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-40	174.4	-46.6	0	0	0	0	111.6	E127 L133 L157 F158	E127-T129 VanDerWaalsContact C-N 3.32Å; E127-T129 PolarHBondContact O-N 2.9Å; T129-L133 VanDerWaalsContact O-CG 3.27Å; T129-L133 WeakPolarHBondContact O-CG 3.1Å; T129-L133 PolarHBondContact O-N 3.28Å; T129-L133 VanDerWaalsContact O-N 3.09Å; T129-L157 HydrophobicContact CG2-CD2 3.98Å; T129-F158 HydrophobicContact CG2-CD1 3.53Å; T129-F158 HydrophobicContact CG2-CE1 3.22Å; T129-F158 HydrophobicContact CG2-CG 4.4Å; T129-F158 HydrophobicContact CG2-CZ 3.86Å
130	S	92.3	Very high	90.7	Very high	82 Å²	82	57.7 Å²	57.7	57%	0.573	32%	0.323	S	S	*	.	H	α-helix	trans	-68	-38.6	175.8	-62.7	0	0	0	0	112	E127 F128 L133 E134	E127-S130 WeakPolarHBondContact O-CB 3.37Å; E127-S130 PolarHBondContact O-N 3.19Å; E127-S130 VanDerWaalsContact O-N 3.11Å; F128-S130 VanDerWaalsContact C-N 3.27Å; F128-S130 PolarHBondContact O-N 3.2Å; S130-L133 PolarHBondContact O-N 2.99Å; S130-E134 PolarHBondContact O-N 3.35Å
131	I	94.8	Very high	91	Very high	35 Å²	35	54 Å²	54	18%	0.179	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-46.8	176.4	-67	168.5	0	0	0	110.6	V90 E127 F128 L133 E134 W135	V90-I131 HydrophobicContact CG1-CD1 4.36Å; V90-I131 HydrophobicContact CG1-CG2 4.24Å; V90-I131 HydrophobicContact CG2-CD1 4.27Å; E127-I131 WeakPolarHBondContact O-CG1 3.38Å; E127-I131 PolarHBondContact O-N 3.36Å; F128-I131 WeakPolarHBondContact O-CB 3.45Å; F128-I131 PolarHBondContact O-N 2.97Å; F128-I131 VanDerWaalsContact O-N 3.11Å; I131-L133 VanDerWaalsContact C-N 3.32Å; I131-L133 PolarHBondContact O-N 3.4Å; I131-E134 WeakPolarHBondContact O-CB 3.38Å; I131-E134 PolarHBondContact O-N 2.96Å; I131-E134 VanDerWaalsContact O-N 3.14Å; I131-W135 HydrophobicContact CG2-CD2 3.88Å; I131-W135 HydrophobicContact CG2-CE3 4.29Å; I131-W135 HydrophobicContact CG2-CH2 3.89Å; I131-W135 HydrophobicContact CG2-CZ2 3.45Å; I131-W135 VanDerWaalsContact CG2-CZ2 3.45Å; I131-W135 HydrophobicContact CG2-CZ3 4.28Å; I131-W135 VanDerWaalsContact O-CG 3.32Å; I131-W135 PolarHBondContact O-N 3.36Å
132	L	95.1	Very high	91.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-44.6	177.6	-171.4	99	0	0	0	111.2	F128 E134 W135 S136 A147 I150 F151 L157	F128-L132 HydrophobicContact CE1-CD1 4.21Å; F128-L132 WeakPolarHBondContact O-CB 3.48Å; F128-L132 PolarHBondContact O-N 3.03Å; L132-E134 VanDerWaalsContact C-N 3.35Å; L132-W135 PolarHBondContact O-N 3.09Å; L132-S136 PolarHBondContact O-N 3.42Å; L132-A147 HydrophobicContact CD1-CB 4.46Å; L132-A147 WeakPolarHBondContact CD1-O 3.37Å; L132-A147 HydrophobicContact CG-CB 4.47Å; L132-I150 HydrophobicContact CD1-CB 4.03Å; L132-I150 HydrophobicContact CD1-CG2 3.94Å; L132-F151 HydrophobicContact CD2-CB 4.34Å; L132-F151 HydrophobicContact CD2-CD2 4.29Å; L132-L157 HydrophobicContact CD1-CD1 4.14Å; L132-L157 HydrophobicContact CD2-CD1 4.12Å; L132-L157 HydrophobicContact CD2-CD2 3.97Å
133	L	93	Very high	91.6	Very high	38 Å²	38	50.9 Å²	50.9	20%	0.199	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-33.9	176.4	-68.8	175.7	0	0	0	112.5	T129 S130 I131 S136 N137 F158 I168 F172	T129-L133 VanDerWaalsContact O-CG 3.27Å; T129-L133 WeakPolarHBondContact O-CG 3.1Å; T129-L133 PolarHBondContact O-N 3.28Å; T129-L133 VanDerWaalsContact O-N 3.09Å; S130-L133 PolarHBondContact O-N 2.99Å; I131-L133 VanDerWaalsContact C-N 3.32Å; I131-L133 PolarHBondContact O-N 3.4Å; L133-S136 PolarHBondContact O-OG 3.17Å; L133-S136 VanDerWaalsContact O-OG 3.05Å; L133-N137 PolarHBondContact O-N 2.8Å; L133-N137 PolarHBondContact O-ND2 2.67Å; L133-F158 HydrophobicContact CD2-CZ 4.42Å; L133-I168 HydrophobicContact CD1-CG2 4.13Å; L133-I168 HydrophobicContact CD2-CG2 3.6Å; L133-F172 HydrophobicContact CD2-CD1 4.41Å
134	E	94.5	Very high	91.8	Very high	141 Å²	141	50.8 Å²	50.8	66%	0.659	28%	0.282	S	S	*	.	H	α-helix	trans	-63.8	-45.5	171.9	-174.6	-179.7	167.6	0	0	110.8	S130 I131 L132 N137 S138	S130-E134 PolarHBondContact O-N 3.35Å; I131-E134 WeakPolarHBondContact O-CB 3.38Å; I131-E134 PolarHBondContact O-N 2.96Å; I131-E134 VanDerWaalsContact O-N 3.14Å; L132-E134 VanDerWaalsContact C-N 3.35Å; E134-N137 CarbonylContact O-C 3.52Å; E134-N137 PolarHBondContact O-N 2.95Å; E134-S138 PolarHBondContact O-N 3.3Å; E134-S138 VanDerWaalsContact O-N 3.13Å
135	W	94.6	Very high	92.1	Very high	12 Å²	12	46 Å²	46	5%	0.045	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-41.3	178	-65.6	-9.7	0	0	0	112.6	V90 L93 V94 F128 I131 L132 N137 S138 R144 A147 I150	V90-W135 HydrophobicContact CB-CZ2 4.47Å; V90-W135 HydrophobicContact CG1-CH2 4.42Å; V90-W135 HydrophobicContact CG1-CZ2 3.8Å; V90-W135 HydrophobicContact CG2-CH2 4.43Å; L93-W135 HydrophobicContact CD1-CH2 4.05Å; L93-W135 HydrophobicContact CD1-CZ3 4.14Å; L93-W135 HydrophobicContact CD2-CE3 4.44Å; L93-W135 HydrophobicContact CD2-CH2 3.8Å; L93-W135 HydrophobicContact CD2-CZ2 4.04Å; L93-W135 HydrophobicContact CD2-CZ3 4.03Å; L93-W135 HydrophobicContact CG-CH2 4.38Å; V94-W135 HydrophobicContact CG2-CZ2 3.68Å; F128-W135 HydrophobicContact CE2-CH2 4.39Å; F128-W135 HydrophobicContact CE2-CZ3 4.32Å; F128-W135 HydrophobicContact CZ-CZ3 4.29Å; I131-W135 HydrophobicContact CG2-CD2 3.88Å; I131-W135 HydrophobicContact CG2-CE3 4.29Å; I131-W135 HydrophobicContact CG2-CH2 3.89Å; I131-W135 HydrophobicContact CG2-CZ2 3.45Å; I131-W135 VanDerWaalsContact CG2-CZ2 3.45Å; I131-W135 HydrophobicContact CG2-CZ3 4.28Å; I131-W135 VanDerWaalsContact O-CG 3.32Å; I131-W135 PolarHBondContact O-N 3.36Å; L132-W135 PolarHBondContact O-N 3.09Å; W135-N137 PolarHBondContact O-N 3.26Å; W135-S138 WeakPolarHBondContact O-CB 3.17Å; W135-S138 PolarHBondContact O-N 2.83Å; W135-R144 WeakPolarHBondContact O-CG 3.36Å; W135-A147 HydrophobicContact CB-CB 3.87Å; W135-I150 HydrophobicContact CE3-CD1 4.46Å; W135-I150 HydrophobicContact CZ3-CD1 3.77Å
136	S	92.8	Very high	92.2	Very high	8 Å²	8	45.5 Å²	45.5	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-20	177.1	75.6	0	0	0	0	113.4	L132 L133 R144	L132-S136 PolarHBondContact O-N 3.42Å; L133-S136 PolarHBondContact O-OG 3.17Å; L133-S136 VanDerWaalsContact O-OG 3.05Å; S136-R144 WeakPolarHBondContact O-CD 3.36Å; S136-R144 WeakPolarHBondContact O-CG 3.32Å
137	N	92.3	Very high	92.5	Very high	90 Å²	90	42.1 Å²	42.1	48%	0.481	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	0.7	173.8	-72.3	-70.9	0	0	0	113.8	L133 E134 W135 R175	L133-N137 PolarHBondContact O-N 2.8Å; L133-N137 PolarHBondContact O-ND2 2.67Å; E134-N137 CarbonylContact O-C 3.52Å; E134-N137 PolarHBondContact O-N 2.95Å; W135-N137 PolarHBondContact O-N 3.26Å; N137-R175 PolarHBondContact OD1-NH1 3.3Å; N137-R175 PolarHBondContact OD1-NH2 3.22Å
138	S	91.9	Very high	92.7	Very high	22 Å²	22	36.7 Å²	36.7	15%	0.154	21%	0.21	C	C	.	.			trans	-64.2	145.2	-177.1	-177.2	0	0	0	0	112.2	E134 W135 D140 R144	E134-S138 PolarHBondContact O-N 3.3Å; E134-S138 VanDerWaalsContact O-N 3.13Å; W135-S138 WeakPolarHBondContact O-CB 3.17Å; W135-S138 PolarHBondContact O-N 2.83Å; S138-D140 PolarHBondContact O-N 3.17Å; S138-D140 PolarHBondContact OG-N 2.89Å; S138-R144 WeakPolarHBondContact O-CD 3.26Å; S138-R144 WeakPolarHBondContact O-CG 3.47Å; S138-R144 PolarHBondContact O-NE 3.41Å
139	P	89.5	Confident	92.7	Very high	135 Å²	135	37.8 Å²	37.8	88%	0.877	22%	0.215	S	C	*	.	S	Bend	trans	-67.9	-16.5	169.2	29.4	-35.8	0	0	0	113.1
140	D	89.8	Confident	92.8	Very high	68 Å²	68	36.9 Å²	36.9	36%	0.364	21%	0.21	S	C	.	.			trans	-80.4	114.3	174.3	-175.5	-12.1	0	0	0	109.9	R102 S138 G142 L143 R144	R102-D140 IonicContact NH1-OD2 2.83Å; S138-D140 PolarHBondContact O-N 3.17Å; S138-D140 PolarHBondContact OG-N 2.89Å; D140-G142 PolarHBondContact O-N 3.47Å; D140-G142 PolarHBondContact OD1-N 2.9Å; D140-L143 HydrophobicContact CB-CB 4.18Å; D140-L143 HydrophobicContact CB-CD1 4.1Å; D140-L143 HydrophobicContact CB-CG 4.18Å; D140-L143 PolarHBondContact O-N 2.67Å; D140-R144 PolarHBondContact O-N 3.27Å
141	S	89.4	Confident	92.9	Very high	47 Å²	47	33 Å²	33	33%	0.329	18%	0.183	S	C	.	.	H	α-helix	trans	-59.3	-34	176.8	52.7	0	0	0	0	112.6	L143 R144 E145	S141-L143 PolarHBondContact O-N 3.41Å; S141-R144 PolarHBondContact O-N 3.42Å; S141-E145 PolarHBondContact O-N 3.35Å
142	G	89.6	Confident	92.8	Very high	10 Å²	10	31.3 Å²	31.3	10%	0.103	17%	0.174	C	C	.	.	H	α-helix	trans	-69.5	-31.9	178.3	0	0	0	0	0	112.7	D140 I146	D140-G142 PolarHBondContact O-N 3.47Å; D140-G142 PolarHBondContact OD1-N 2.9Å; G142-I146 WeakPolarHBondContact O-CG1 3.32Å; G142-I146 PolarHBondContact O-N 2.9Å; G142-I146 VanDerWaalsContact O-N 3.1Å
143	L	91.4	Very high	92.6	Very high	17 Å²	17	31.4 Å²	31.4	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-71.6	-34.9	172.3	-76.2	176.4	0	0	0	111.8	L93 V94 D140 S141 I146 A147	L93-L143 HydrophobicContact CD2-CD2 3.94Å; V94-L143 HydrophobicContact CG2-CD2 4.44Å; D140-L143 HydrophobicContact CB-CB 4.18Å; D140-L143 HydrophobicContact CB-CD1 4.1Å; D140-L143 HydrophobicContact CB-CG 4.18Å; D140-L143 PolarHBondContact O-N 2.67Å; S141-L143 PolarHBondContact O-N 3.41Å; L143-I146 PolarHBondContact O-N 3.45Å; L143-A147 WeakPolarHBondContact O-CB 3.47Å; L143-A147 PolarHBondContact O-N 2.89Å
144	R	93.5	Very high	92.5	Very high	32 Å²	32	29.6 Å²	29.6	12%	0.121	17%	0.166	C	C	.	.	H	α-helix	trans	-67.2	-40.2	174.1	-65.5	-171.8	-71.2	151.4	1.8	111.9	W135 S136 S138 D140 S141 A147 C148 D179 L185	W135-R144 WeakPolarHBondContact O-CG 3.36Å; S136-R144 WeakPolarHBondContact O-CD 3.36Å; S136-R144 WeakPolarHBondContact O-CG 3.32Å; S138-R144 WeakPolarHBondContact O-CD 3.26Å; S138-R144 WeakPolarHBondContact O-CG 3.47Å; S138-R144 PolarHBondContact O-NE 3.41Å; D140-R144 PolarHBondContact O-N 3.27Å; S141-R144 PolarHBondContact O-N 3.42Å; R144-A147 PolarHBondContact O-N 3.31Å; R144-C148 PolarHBondContact O-N 3.03Å; R144-C148 VanDerWaalsContact O-N 3.08Å; R144-C148 PolarHBondContact O-SG 3.38Å; R144-D179 IonicContact CZ-OD2 3.68Å; R144-D179 IonicContact NH1-OD2 2.69Å; R144-D179 PolarHBondContact NH1-OD2 3.31Å; R144-D179 IonicContact NH2-OD2 3.61Å; R144-D179 PolarHBondContact NH2-OD2 2.92Å; R144-L185 HydrophobicContact CB-CD1 3.76Å; R144-L185 HydrophobicContact CB-CD2 4.06Å
145	E	93.2	Very high	92.3	Very high	9 Å²	9	23.3 Å²	23.3	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-50.5	174.8	-179.8	-159.7	156	0	0	109.6	Q99 R103 S141 A147 C148 H149 L185 A188	Q99-E145 PolarHBondContact NE2-OE1 3.16Å; Q99-E145 PolarHBondContact NE2-OE2 3.35Å; R103-E145 IonicContact CZ-OE1 2.69Å; R103-E145 IonicContact NE-OE1 2.67Å; R103-E145 PolarHBondContact NE-OE1 3.43Å; R103-E145 VanDerWaalsContact NE-OE1 3.14Å; R103-E145 IonicContact NH2-OE1 3.54Å; R103-E145 PolarHBondContact NH2-OE1 3.17Å; S141-E145 PolarHBondContact O-N 3.35Å; E145-A147 VanDerWaalsContact C-N 3.32Å; E145-A147 PolarHBondContact O-N 3.4Å; E145-C148 WeakPolarHBondContact O-CB 3.46Å; E145-C148 PolarHBondContact O-N 2.99Å; E145-C148 VanDerWaalsContact O-N 3.09Å; E145-H149 PolarHBondContact O-N 3.29Å; E145-L185 HydrophobicContact CB-CD1 4.43Å; E145-A188 HydrophobicContact CG-CB 4.05Å
146	I	93.8	Very high	92	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-34.2	179.8	-66.1	-67.9	0	0	0	112.5	L93 R102 R103 A106 G142 L143 C148 H149 I150	L93-I146 HydrophobicContact CD1-CG2 3.72Å; L93-I146 HydrophobicContact CD2-CG2 3.83Å; L93-I146 HydrophobicContact CG-CG2 4.13Å; R102-I146 HydrophobicContact CB-CD1 4Å; R102-I146 HydrophobicContact CB-CG1 4.28Å; R103-I146 HydrophobicContact CG-CD1 3.89Å; A106-I146 HydrophobicContact CB-CD1 4.22Å; A106-I146 HydrophobicContact CB-CG2 3.78Å; G142-I146 WeakPolarHBondContact O-CG1 3.32Å; G142-I146 PolarHBondContact O-N 2.9Å; G142-I146 VanDerWaalsContact O-N 3.1Å; L143-I146 PolarHBondContact O-N 3.45Å; I146-C148 VanDerWaalsContact C-N 3.31Å; I146-C148 PolarHBondContact O-N 3.43Å; I146-H149 PolarHBondContact O-N 2.94Å; I146-I150 HydrophobicContact CG2-CD1 3.95Å; I146-I150 HydrophobicContact CG2-CG1 4.38Å; I146-I150 WeakPolarHBondContact O-CG1 3.14Å; I146-I150 PolarHBondContact O-N 2.46Å
147	A	95.1	Very high	92	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-40	172.5	0	0	0	0	0	111.8	L132 W135 L143 R144 E145 F151	L132-A147 HydrophobicContact CD1-CB 4.46Å; L132-A147 WeakPolarHBondContact CD1-O 3.37Å; L132-A147 HydrophobicContact CG-CB 4.47Å; W135-A147 HydrophobicContact CB-CB 3.87Å; L143-A147 WeakPolarHBondContact O-CB 3.47Å; L143-A147 PolarHBondContact O-N 2.89Å; R144-A147 PolarHBondContact O-N 3.31Å; E145-A147 VanDerWaalsContact C-N 3.32Å; E145-A147 PolarHBondContact O-N 3.4Å; A147-F151 WeakPolarHBondContact O-CB 3.48Å; A147-F151 PolarHBondContact O-N 3.41Å; A147-F151 VanDerWaalsContact O-N 3.16Å
148	C	95.2	Very high	91.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-68.5	-43.3	174.4	-59.9	0	0	0	0	111	R144 E145 I146 I150 F151 G152 A176 A188 A192	R144-C148 PolarHBondContact O-N 3.03Å; R144-C148 VanDerWaalsContact O-N 3.08Å; R144-C148 PolarHBondContact O-SG 3.38Å; E145-C148 WeakPolarHBondContact O-CB 3.46Å; E145-C148 PolarHBondContact O-N 2.99Å; E145-C148 VanDerWaalsContact O-N 3.09Å; I146-C148 VanDerWaalsContact C-N 3.31Å; I146-C148 PolarHBondContact O-N 3.43Å; C148-I150 PolarHBondContact O-N 3.43Å; C148-F151 PolarHBondContact O-N 3.06Å; C148-G152 PolarHBondContact O-N 3.4Å; C148-A176 VanDerWaalsContact SG-CB 3.51Å; C148-A188 HydrophobicContact CB-CB 3.9Å; C148-A192 HydrophobicContact CB-CB 4.21Å; C148-A192 WeakPolarHBondContact O-CB 3.48Å
149	H	92.8	Very high	91.6	Very high	24 Å²	24	20.4 Å²	20.4	11%	0.111	13%	0.127	C	C	.	.	H	α-helix	trans	-54.5	-51.7	176.6	-172.7	80.4	0	0	0	112	D107 E145 I146 F151 G152 S153	D107-H149 IonicContact OD1-CD2 3.93Å; D107-H149 IonicContact OD1-CE1 2.88Å; D107-H149 IonicContact OD1-NE2 3.91Å; D107-H149 PolarHBondContact OD1-NE2 3.27Å; E145-H149 PolarHBondContact O-N 3.29Å; I146-H149 PolarHBondContact O-N 2.94Å; H149-F151 VanDerWaalsContact C-N 3.32Å; H149-F151 PolarHBondContact O-N 3.03Å; H149-G152 PolarHBondContact O-N 3.21Å; H149-S153 PolarHBondContact O-N 2.72Å; H149-S153 PolarHBondContact O-OG 2.77Å; H149-S153 VanDerWaalsContact O-OG 3.08Å
150	I	94.5	Very high	91.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.5	-38.1	178.9	-65.6	171.1	0	0	0	111.9	L93 A106 I109 F128 L132 W135 I146 C148 S153 V154 L157	L93-I150 HydrophobicContact CD1-CD1 4.16Å; A106-I150 HydrophobicContact CB-CD1 3.96Å; A106-I150 HydrophobicContact CB-CG1 3.75Å; I109-I150 HydrophobicContact CG2-CD1 4.2Å; F128-I150 HydrophobicContact CE1-CG2 3.79Å; F128-I150 HydrophobicContact CZ-CD1 4.17Å; F128-I150 HydrophobicContact CZ-CG2 3.96Å; L132-I150 HydrophobicContact CD1-CB 4.03Å; L132-I150 HydrophobicContact CD1-CG2 3.94Å; W135-I150 HydrophobicContact CE3-CD1 4.46Å; W135-I150 HydrophobicContact CZ3-CD1 3.77Å; I146-I150 HydrophobicContact CG2-CD1 3.95Å; I146-I150 HydrophobicContact CG2-CG1 4.38Å; I146-I150 WeakPolarHBondContact O-CG1 3.14Å; I146-I150 PolarHBondContact O-N 2.46Å; C148-I150 PolarHBondContact O-N 3.43Å; I150-S153 PolarHBondContact O-N 3.04Å; I150-V154 PolarHBondContact O-N 3.37Å; I150-L157 HydrophobicContact CG2-CD1 4.44Å
151	F	94.9	Very high	91.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.1	-37.3	177.7	-175.4	-107.4	0	0	0	112.4	L132 A147 C148 H149 V154 P155 F158 I169 F172 L173 A192 F196	L132-F151 HydrophobicContact CD2-CB 4.34Å; L132-F151 HydrophobicContact CD2-CD2 4.29Å; A147-F151 WeakPolarHBondContact O-CB 3.48Å; A147-F151 PolarHBondContact O-N 3.41Å; A147-F151 VanDerWaalsContact O-N 3.16Å; C148-F151 PolarHBondContact O-N 3.06Å; H149-F151 VanDerWaalsContact C-N 3.32Å; H149-F151 PolarHBondContact O-N 3.03Å; F151-V154 CarbonylContact O-C 2.97Å; F151-V154 PolarHBondContact O-N 2.9Å; F151-P155 VanDerWaalsContact O-CA 3.29Å; F151-P155 WeakPolarHBondContact O-CA 3.47Å; F151-P155 VanDerWaalsContact O-N 3.12Å; F151-F158 HydrophobicContact CD2-CE2 4.03Å; F151-F158 AromaticContact CE2-CD2 3.77Å; F151-F158 HydrophobicContact CE2-CD2 3.77Å; F151-F158 AromaticContact CE2-CE2 3.5Å; F151-F158 HydrophobicContact CE2-CE2 3.5Å; F151-F158 HydrophobicContact CZ-CE2 4.35Å; F151-I169 HydrophobicContact CE1-CG2 3.95Å; F151-I169 HydrophobicContact CZ-CD1 4.4Å; F151-I169 HydrophobicContact CZ-CG1 4.45Å; F151-I169 HydrophobicContact CZ-CG2 3.64Å; F151-F172 HydrophobicContact CB-CZ 4.23Å; F151-F172 HydrophobicContact CD1-CE2 4.36Å; F151-F172 AromaticContact CD1-CZ 3.58Å; F151-F172 HydrophobicContact CD1-CZ 3.58Å; F151-F172 HydrophobicContact CD2-CZ 4.28Å; F151-F172 AromaticContact CE1-CZ 3.93Å; F151-F172 HydrophobicContact CE1-CZ 3.93Å; F151-F172 AromaticContact CG-CZ 3.74Å; F151-F172 HydrophobicContact CG-CZ 3.74Å; F151-F172 HydrophobicContact CZ-CZ 4.43Å; F151-L173 HydrophobicContact CD1-CD2 4.28Å; F151-L173 HydrophobicContact CE1-CD1 4.27Å; F151-L173 HydrophobicContact CE1-CD2 4.38Å; F151-A192 HydrophobicContact CD1-CB 4.14Å; F151-F196 HydrophobicContact CE1-CB 3.88Å; F151-F196 AromaticContact CE1-CD2 3.95Å; F151-F196 HydrophobicContact CE1-CD2 3.95Å; F151-F196 AromaticContact CE1-CG 3.99Å; F151-F196 HydrophobicContact CE1-CG 3.99Å; F151-F196 HydrophobicContact CE2-CD2 4.25Å; F151-F196 HydrophobicContact CZ-CB 4.21Å; F151-F196 AromaticContact CZ-CD2 3.37Å; F151-F196 HydrophobicContact CZ-CD2 3.37Å; F151-F196 AromaticContact CZ-CE2 3.89Å; F151-F196 HydrophobicContact CZ-CE2 3.89Å; F151-F196 AromaticContact CZ-CG 3.85Å; F151-F196 HydrophobicContact CZ-CG 3.85Å
152	G	92	Very high	91.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-49.2	170.9	0	0	0	0	0	111.4	C148 H149 V154 P155 A195 E663	C148-G152 PolarHBondContact O-N 3.4Å; H149-G152 PolarHBondContact O-N 3.21Å; G152-V154 VanDerWaalsContact C-N 3.28Å; G152-V154 PolarHBondContact O-N 2.78Å; G152-P155 VanDerWaalsContact O-CD 3.31Å; G152-P155 WeakPolarHBondContact O-CD 3.42Å; G152-P155 WeakPolarHBondContact O-CG 2.99Å; G152-A195 VanDerWaalsContact O-CB 3.31Å; G152-A195 WeakPolarHBondContact O-CB 3.44Å; G152-E663 WeakPolarHBondContact CA-OE2 3.24Å
153	S	90.3	Very high	90.9	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-55.6	-43.4	175.5	-53.5	0	0	0	0	112.1	S110 R114 H149 I150 E663 D664	S110-S153 VanDerWaalsContact CB-CB 3.44Å; S110-S153 VanDerWaalsContact OG-CB 3.25Å; S110-S153 WeakPolarHBondContact OG-CB 3.45Å; S110-S153 PolarHBondContact OG-OG 3.48Å; R114-S153 VanDerWaalsContact CZ-O 3.29Å; R114-S153 PolarHBondContact NH1-O 2.77Å; R114-S153 PolarHBondContact NH2-O 2.74Å; H149-S153 PolarHBondContact O-N 2.72Å; H149-S153 PolarHBondContact O-OG 2.77Å; H149-S153 VanDerWaalsContact O-OG 3.08Å; I150-S153 PolarHBondContact O-N 3.04Å; S153-E663 PolarHBondContact N-OE2 3.18Å; S153-D664 WeakPolarHBondContact CB-OD2 3.36Å; S153-D664 PolarHBondContact OG-OD2 3.13Å
154	V	91.9	Very high	90.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.			trans	-126.3	77.3	-176.1	-164.8	0	0	0	0	111.1	S110 V113 R114 I150 F151 G152 S156 L157	S110-V154 WeakPolarHBondContact O-CG2 3.43Å; V113-V154 HydrophobicContact CG1-CG1 4.28Å; R114-V154 HydrophobicContact CB-CG1 4.36Å; R114-V154 HydrophobicContact CB-CG2 4.26Å; I150-V154 PolarHBondContact O-N 3.37Å; F151-V154 CarbonylContact O-C 2.97Å; F151-V154 PolarHBondContact O-N 2.9Å; G152-V154 VanDerWaalsContact C-N 3.28Å; G152-V154 PolarHBondContact O-N 2.78Å; V154-S156 PolarHBondContact O-N 3.44Å; V154-L157 HydrophobicContact CG1-CB 4.38Å; V154-L157 WeakPolarHBondContact O-CB 3.49Å; V154-L157 PolarHBondContact O-N 3.41Å; V154-L157 VanDerWaalsContact O-N 3.09Å
155	P	90.4	Very high	90.7	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.058	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-68.9	-21.8	-177.2	-8.1	21.8	0	0	0	112.2	F151 G152 L157 A195 F196 Q199	F151-P155 VanDerWaalsContact O-CA 3.29Å; F151-P155 WeakPolarHBondContact O-CA 3.47Å; F151-P155 VanDerWaalsContact O-N 3.12Å; G152-P155 VanDerWaalsContact O-CD 3.31Å; G152-P155 WeakPolarHBondContact O-CD 3.42Å; G152-P155 WeakPolarHBondContact O-CG 2.99Å; P155-L157 PolarHBondContact O-N 3.01Å; P155-A195 HydrophobicContact CB-CB 4.33Å; P155-A195 HydrophobicContact CG-CB 3.56Å; P155-F196 HydrophobicContact CB-CB 4.1Å; P155-F196 HydrophobicContact CB-CD2 3.86Å; P155-F196 HydrophobicContact CB-CG 4.48Å; P155-Q199 VanDerWaalsContact C-OE1 3.31Å; P155-Q199 HydrophobicContact CB-CB 4.29Å; P155-Q199 VanDerWaalsContact CD-OE1 3.27Å; P155-Q199 HydrophobicContact CG-CB 4.45Å
156	S	88.7	Confident	90.6	Very high	36 Å²	36	30.7 Å²	30.7	25%	0.252	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-72.9	3.8	172.9	61.4	0	0	0	0	114.7	F117 V154 F158 G159 Q199	F117-S156 WeakPolarHBondContact CZ-O 3.42Å; V154-S156 PolarHBondContact O-N 3.44Å; S156-F158 PolarHBondContact O-N 3.26Å; S156-G159 PolarHBondContact O-N 3.22Å; S156-Q199 VanDerWaalsContact CA-NE2 3.34Å
157	L	91	Very high	90.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-54.1	-24.6	-173.4	177.4	149.7	0	0	0	115.1	V113 F128 T129 L132 I150 V154 P155	V113-L157 HydrophobicContact CG1-CD1 4.18Å; V113-L157 HydrophobicContact CG1-CG 4.35Å; F128-L157 HydrophobicContact CD1-CD1 3.72Å; F128-L157 HydrophobicContact CD1-CG 4.48Å; F128-L157 HydrophobicContact CE1-CD1 3.65Å; T129-L157 HydrophobicContact CG2-CD2 3.98Å; L132-L157 HydrophobicContact CD1-CD1 4.14Å; L132-L157 HydrophobicContact CD2-CD1 4.12Å; L132-L157 HydrophobicContact CD2-CD2 3.97Å; I150-L157 HydrophobicContact CG2-CD1 4.44Å; V154-L157 HydrophobicContact CG1-CB 4.38Å; V154-L157 WeakPolarHBondContact O-CB 3.49Å; V154-L157 PolarHBondContact O-N 3.41Å; V154-L157 VanDerWaalsContact O-N 3.09Å; P155-L157 PolarHBondContact O-N 3.01Å
158	F	89.3	Confident	90.4	Very high	10 Å²	10	36.4 Å²	36.4	4%	0.044	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-88	-12.1	177.3	-68.6	-95	0	0	0	114	T129 L133 F151 S156 N160 Q161 Q162 S165 I169	T129-F158 HydrophobicContact CG2-CD1 3.53Å; T129-F158 HydrophobicContact CG2-CE1 3.22Å; T129-F158 HydrophobicContact CG2-CG 4.4Å; T129-F158 HydrophobicContact CG2-CZ 3.86Å; L133-F158 HydrophobicContact CD2-CZ 4.42Å; F151-F158 HydrophobicContact CD2-CE2 4.03Å; F151-F158 AromaticContact CE2-CD2 3.77Å; F151-F158 HydrophobicContact CE2-CD2 3.77Å; F151-F158 AromaticContact CE2-CE2 3.5Å; F151-F158 HydrophobicContact CE2-CE2 3.5Å; F151-F158 HydrophobicContact CZ-CE2 4.35Å; S156-F158 PolarHBondContact O-N 3.26Å; F158-N160 PolarHBondContact O-N 3.45Å; F158-Q161 WeakPolarHBondContact O-CA 3.12Å; F158-Q161 WeakPolarHBondContact O-CB 3.42Å; F158-Q161 PolarHBondContact O-N 3.05Å; F158-Q162 HydrophobicContact CB-CB 4.18Å; F158-S165 VanDerWaalsContact CD1-CB 3.46Å; F158-I169 HydrophobicContact CD1-CD1 4.45Å; F158-I169 HydrophobicContact CD2-CD1 3.55Å; F158-I169 HydrophobicContact CD2-CG1 3.97Å; F158-I169 HydrophobicContact CE1-CG1 4.32Å; F158-I169 HydrophobicContact CE2-CD1 3.72Å; F158-I169 HydrophobicContact CE2-CG1 3.57Å; F158-I169 HydrophobicContact CG-CD1 3.95Å; F158-I169 HydrophobicContact CZ-CD1 4.24Å; F158-I169 HydrophobicContact CZ-CG1 3.77Å
159	G	86.5	Confident	90.3	Very high	22 Å²	22	36.3 Å²	36.3	23%	0.227	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	45.1	-130.4	-178.3	0	0	0	0	0	112.6	G121 S156 Q161 Q162	G121-G159 WeakPolarHBondContact O-CA 3.23Å; S156-G159 PolarHBondContact O-N 3.22Å; G159-Q161 PolarHBondContact O-N 3.39Å; G159-Q162 VanDerWaalsContact O-CB 3.26Å; G159-Q162 WeakPolarHBondContact O-CB 3.18Å; G159-Q162 PolarHBondContact O-N 2.92Å
160	N	85.2	Confident	90.3	Very high	98 Å²	98	35.5 Å²	35.5	52%	0.524	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-59.7	-15.5	177	-69.8	-24.3	0	0	0	115.5	D120 G121 N122 F158	D120-N160 PolarHBondContact O-ND2 3.27Å; D120-N160 PolarHBondContact O-OD1 3.3Å; G121-N160 PolarHBondContact O-N 3.25Å; N122-N160 PolarHBondContact OD1-ND2 3.28Å; F158-N160 PolarHBondContact O-N 3.45Å
161	Q	85.4	Confident	90.3	Very high	114 Å²	114	41.7 Å²	41.7	53%	0.533	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-89.4	-1.1	177.7	-56.1	-176.2	11.5	0	0	113	F158 G159 A163 Q164 S165	F158-Q161 WeakPolarHBondContact O-CA 3.12Å; F158-Q161 WeakPolarHBondContact O-CB 3.42Å; F158-Q161 PolarHBondContact O-N 3.05Å; G159-Q161 PolarHBondContact O-N 3.39Å; Q161-A163 PolarHBondContact O-N 3.13Å; Q161-Q164 PolarHBondContact O-N 3.3Å; Q161-S165 WeakPolarHBondContact O-CB 3.27Å; Q161-S165 PolarHBondContact O-N 3.22Å; Q161-S165 PolarHBondContact O-OG 3.31Å
162	Q	88.6	Confident	90.2	Very high	27 Å²	27	42.2 Å²	42.2	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-53.5	-50.7	-177	-178.4	177.1	-78.1	0	0	112.3	F158 G159 Q164 S165 I166 F196 N200	F158-Q162 HydrophobicContact CB-CB 4.18Å; G159-Q162 VanDerWaalsContact O-CB 3.26Å; G159-Q162 WeakPolarHBondContact O-CB 3.18Å; G159-Q162 PolarHBondContact O-N 2.92Å; Q162-Q164 VanDerWaalsContact C-N 3.26Å; Q162-Q164 PolarHBondContact O-N 3.1Å; Q162-S165 CarbonylContact O-C 3.57Å; Q162-S165 PolarHBondContact O-N 2.96Å; Q162-I166 PolarHBondContact O-N 3.42Å; Q162-F196 HydrophobicContact CG-CE2 4.19Å; Q162-F196 HydrophobicContact CG-CZ 3.9Å; Q162-N200 PolarHBondContact NE2-OD1 3.01Å
163	A	85.9	Confident	90.4	Very high	82 Å²	82	42.1 Å²	42.1	68%	0.678	24%	0.242	S	C	*	.	H	α-helix	trans	-59.3	-35.7	-177.9	0	0	0	0	0	113	Q161 I166	Q161-A163 PolarHBondContact O-N 3.13Å; A163-I166 WeakPolarHBondContact O-CG2 3.43Å
164	Q	88.9	Confident	90.6	Very high	170 Å²	170	44.4 Å²	44.4	79%	0.794	26%	0.255	S	S	*	.	H	α-helix	trans	-78.1	-27.9	177.5	-61.2	179.4	15.7	0	0	112.2	Q161 Q162	Q161-Q164 PolarHBondContact O-N 3.3Å; Q162-Q164 VanDerWaalsContact C-N 3.26Å; Q162-Q164 PolarHBondContact O-N 3.1Å
165	S	90.9	Very high	90.7	Very high	15 Å²	15	49.8 Å²	49.8	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-94	-6.6	-174.5	-55.2	0	0	0	0	113.5	F158 Q161 Q162 G167 I168 I169	F158-S165 VanDerWaalsContact CD1-CB 3.46Å; Q161-S165 WeakPolarHBondContact O-CB 3.27Å; Q161-S165 PolarHBondContact O-N 3.22Å; Q161-S165 PolarHBondContact O-OG 3.31Å; Q162-S165 CarbonylContact O-C 3.57Å; Q162-S165 PolarHBondContact O-N 2.96Å; S165-G167 PolarHBondContact O-N 3.3Å; S165-G167 VanDerWaalsContact O-N 3.11Å; S165-I168 WeakPolarHBondContact O-CA 3.22Å; S165-I168 WeakPolarHBondContact O-CB 2.99Å; S165-I168 PolarHBondContact O-N 3.41Å; S165-I169 WeakPolarHBondContact O-CG1 3.48Å; S165-I169 PolarHBondContact O-N 3.28Å
166	I	92.3	Very high	90.9	Very high	28 Å²	28	49.6 Å²	49.6	14%	0.144	28%	0.275	C	S	.	.	H	α-helix	trans	-54	-37.9	-173.7	-164.9	60.7	0	0	0	113.4	Q162 A163 I168 I169 G170 F196 V206 L210	Q162-I166 PolarHBondContact O-N 3.42Å; A163-I166 WeakPolarHBondContact O-CG2 3.43Å; I166-I168 VanDerWaalsContact C-N 3.34Å; I166-I168 PolarHBondContact O-N 3.44Å; I166-I169 PolarHBondContact O-N 2.92Å; I166-G170 PolarHBondContact O-N 3.24Å; I166-F196 HydrophobicContact CD1-CE1 3.62Å; I166-F196 HydrophobicContact CD1-CZ 3.86Å; I166-V206 HydrophobicContact CD1-CG1 3.89Å; I166-L210 HydrophobicContact CD1-CD1 3.98Å; I166-L210 HydrophobicContact CD1-CD2 4.04Å; I166-L210 HydrophobicContact CD1-CG 3.96Å; I166-L210 HydrophobicContact CG1-CD2 4.27Å; I166-L210 HydrophobicContact CG1-CG 4.38Å
167	G	91.5	Very high	91.2	Very high	42 Å²	42	47.9 Å²	47.9	43%	0.433	26%	0.263	S	S	.	.	H	α-helix	trans	-67.2	-33.7	176.5	0	0	0	0	0	113.3	S165 Q171	S165-G167 PolarHBondContact O-N 3.3Å; S165-G167 VanDerWaalsContact O-N 3.11Å; G167-Q171 VanDerWaalsContact O-CG 3.23Å; G167-Q171 WeakPolarHBondContact O-CG 3.44Å; G167-Q171 PolarHBondContact O-N 3Å
168	I	92.2	Very high	91.3	Very high	81 Å²	81	50.9 Å²	50.9	42%	0.415	28%	0.284	S	S	.	.	H	α-helix	trans	-74.2	-42	175.6	-61.7	172.3	0	0	0	109.7	L133 S165 I166 Q171 F172	L133-I168 HydrophobicContact CD1-CG2 4.13Å; L133-I168 HydrophobicContact CD2-CG2 3.6Å; S165-I168 WeakPolarHBondContact O-CA 3.22Å; S165-I168 WeakPolarHBondContact O-CB 2.99Å; S165-I168 PolarHBondContact O-N 3.41Å; I166-I168 VanDerWaalsContact C-N 3.34Å; I166-I168 PolarHBondContact O-N 3.44Å; I168-Q171 PolarHBondContact O-N 3.18Å; I168-F172 PolarHBondContact O-N 3.45Å; I168-F172 VanDerWaalsContact O-N 3.11Å
169	I	93.4	Very high	91.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.4	-53.7	175.7	-64.7	169.5	0	0	0	109.8	F151 F158 S165 I166 Q171 F172 L173 F196	F151-I169 HydrophobicContact CE1-CG2 3.95Å; F151-I169 HydrophobicContact CZ-CD1 4.4Å; F151-I169 HydrophobicContact CZ-CG1 4.45Å; F151-I169 HydrophobicContact CZ-CG2 3.64Å; F158-I169 HydrophobicContact CD1-CD1 4.45Å; F158-I169 HydrophobicContact CD2-CD1 3.55Å; F158-I169 HydrophobicContact CD2-CG1 3.97Å; F158-I169 HydrophobicContact CE1-CG1 4.32Å; F158-I169 HydrophobicContact CE2-CD1 3.72Å; F158-I169 HydrophobicContact CE2-CG1 3.57Å; F158-I169 HydrophobicContact CG-CD1 3.95Å; F158-I169 HydrophobicContact CZ-CD1 4.24Å; F158-I169 HydrophobicContact CZ-CG1 3.77Å; S165-I169 WeakPolarHBondContact O-CG1 3.48Å; S165-I169 PolarHBondContact O-N 3.28Å; I166-I169 PolarHBondContact O-N 2.92Å; I169-Q171 VanDerWaalsContact C-N 3.29Å; I169-Q171 PolarHBondContact O-N 3.39Å; I169-F172 HydrophobicContact CB-CE1 4.23Å; I169-F172 HydrophobicContact CG1-CE1 4.4Å; I169-F172 HydrophobicContact CG2-CE1 4.08Å; I169-F172 WeakPolarHBondContact O-CD1 3.16Å; I169-F172 PolarHBondContact O-N 2.76Å; I169-L173 HydrophobicContact CG2-CD1 3.83Å; I169-L173 HydrophobicContact CG2-CG 4.45Å; I169-L173 WeakPolarHBondContact O-CG 3.37Å; I169-L173 PolarHBondContact O-N 3.04Å; I169-L173 VanDerWaalsContact O-N 3.09Å; I169-F196 HydrophobicContact CD1-CE2 4.18Å; I169-F196 HydrophobicContact CD1-CZ 4.03Å; I169-F196 HydrophobicContact CG2-CD1 4.48Å; I169-F196 HydrophobicContact CG2-CE1 4.36Å; I169-F196 HydrophobicContact CG2-CZ 4.47Å
170	G	93.6	Very high	91.5	Very high	7 Å²	7	55.8 Å²	55.8	7%	0.072	31%	0.312	C	S	.	.	H	α-helix	trans	-57.1	-40.6	177	0	0	0	0	0	113	I166 V174	I166-G170 PolarHBondContact O-N 3.24Å; G170-V174 WeakPolarHBondContact O-CB 3.34Å; G170-V174 WeakPolarHBondContact O-CG2 3.15Å; G170-V174 PolarHBondContact O-N 3.41Å
171	Q	92.9	Very high	91.5	Very high	130 Å²	130	55.2 Å²	55.2	61%	0.607	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-41.9	-179.9	-79.8	174.4	30	0	0	113.9	G167 I168 I169 R175	G167-Q171 VanDerWaalsContact O-CG 3.23Å; G167-Q171 WeakPolarHBondContact O-CG 3.44Å; G167-Q171 PolarHBondContact O-N 3Å; I168-Q171 PolarHBondContact O-N 3.18Å; I169-Q171 VanDerWaalsContact C-N 3.29Å; I169-Q171 PolarHBondContact O-N 3.39Å; Q171-R175 PolarHBondContact O-N 3.35Å
172	F	93.3	Very high	91.7	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.044	30%	0.295	C	S	.	.	H	α-helix	trans	-75.9	-36.5	-180	90.3	-100.4	0	0	0	111.4	L133 F151 I168 I169 R175 A176	L133-F172 HydrophobicContact CD2-CD1 4.41Å; F151-F172 HydrophobicContact CB-CZ 4.23Å; F151-F172 HydrophobicContact CD1-CE2 4.36Å; F151-F172 AromaticContact CD1-CZ 3.58Å; F151-F172 HydrophobicContact CD1-CZ 3.58Å; F151-F172 HydrophobicContact CD2-CZ 4.28Å; F151-F172 AromaticContact CE1-CZ 3.93Å; F151-F172 HydrophobicContact CE1-CZ 3.93Å; F151-F172 AromaticContact CG-CZ 3.74Å; F151-F172 HydrophobicContact CG-CZ 3.74Å; F151-F172 HydrophobicContact CZ-CZ 4.43Å; I168-F172 PolarHBondContact O-N 3.45Å; I168-F172 VanDerWaalsContact O-N 3.11Å; I169-F172 HydrophobicContact CB-CE1 4.23Å; I169-F172 HydrophobicContact CG1-CE1 4.4Å; I169-F172 HydrophobicContact CG2-CE1 4.08Å; I169-F172 WeakPolarHBondContact O-CD1 3.16Å; I169-F172 PolarHBondContact O-N 2.76Å; F172-R175 WeakPolarHBondContact O-CB 3.26Å; F172-R175 PolarHBondContact O-N 3.05Å; F172-A176 PolarHBondContact O-N 3.06Å
173	L	95.4	Very high	91.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-48.1	174	-70.5	175	0	0	0	111.4	F151 I169 R175 A176 I177 A192 L193 L213	F151-L173 HydrophobicContact CD1-CD2 4.28Å; F151-L173 HydrophobicContact CE1-CD1 4.27Å; F151-L173 HydrophobicContact CE1-CD2 4.38Å; I169-L173 HydrophobicContact CG2-CD1 3.83Å; I169-L173 HydrophobicContact CG2-CG 4.45Å; I169-L173 WeakPolarHBondContact O-CG 3.37Å; I169-L173 PolarHBondContact O-N 3.04Å; I169-L173 VanDerWaalsContact O-N 3.09Å; L173-R175 PolarHBondContact O-N 3.12Å; L173-A176 PolarHBondContact O-N 3.36Å; L173-A176 VanDerWaalsContact O-N 3.15Å; L173-I177 HydrophobicContact CB-CD1 4.46Å; L173-I177 WeakPolarHBondContact O-CB 3.34Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.29Å; L173-I177 PolarHBondContact O-N 2.97Å; L173-A192 HydrophobicContact CD2-CB 3.82Å; L173-L193 HydrophobicContact CD1-CD1 4.14Å; L173-L213 HydrophobicContact CB-CD2 3.87Å; L173-L213 HydrophobicContact CD1-CD2 4.37Å
174	V	95	Very high	91.8	Very high	49 Å²	49	50.8 Å²	50.8	30%	0.297	29%	0.286	S	S	.	.	H	α-helix	trans	-54.4	-43.8	174.3	168.4	0	0	0	0	111	G170 S178 L213	G170-V174 WeakPolarHBondContact O-CB 3.34Å; G170-V174 WeakPolarHBondContact O-CG2 3.15Å; G170-V174 PolarHBondContact O-N 3.41Å; V174-S178 WeakPolarHBondContact O-CB 3.44Å; V174-S178 PolarHBondContact O-N 2.54Å; V174-S178 PolarHBondContact O-OG 3.49Å; V174-L213 HydrophobicContact CG2-CD1 3.51Å; V174-L213 HydrophobicContact CG2-CD2 4.01Å; V174-L213 HydrophobicContact CG2-CG 3.45Å; V174-L213 VanDerWaalsContact CG2-CG 3.45Å
175	R	93.9	Very high	92	Very high	113 Å²	113	42.7 Å²	42.7	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-40.5	-178.9	-170.1	-175.5	-61.1	173	7.9	112.2	N137 Q171 F172 L173 D179	N137-R175 PolarHBondContact OD1-NH1 3.3Å; N137-R175 PolarHBondContact OD1-NH2 3.22Å; Q171-R175 PolarHBondContact O-N 3.35Å; F172-R175 WeakPolarHBondContact O-CB 3.26Å; F172-R175 PolarHBondContact O-N 3.05Å; L173-R175 PolarHBondContact O-N 3.12Å; R175-D179 WeakPolarHBondContact O-CB 3.44Å; R175-D179 PolarHBondContact O-N 3.12Å
176	A	95.2	Very high	92.1	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-51.5	177	0	0	0	0	0	111.1	C148 F172 L173 S178 D179 L185	C148-A176 VanDerWaalsContact SG-CB 3.51Å; F172-A176 PolarHBondContact O-N 3.06Å; L173-A176 PolarHBondContact O-N 3.36Å; L173-A176 VanDerWaalsContact O-N 3.15Å; A176-S178 VanDerWaalsContact C-N 3.28Å; A176-S178 PolarHBondContact O-N 3.33Å; A176-D179 WeakPolarHBondContact O-CB 3.46Å; A176-D179 PolarHBondContact O-N 3.31Å; A176-L185 HydrophobicContact CB-CD1 3.83Å; A176-L185 HydrophobicContact CB-CG 4.2Å
177	I	95.4	Very high	92.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-33.5	-178	-63.7	167.9	0	0	0	111.8	L173 R186 L190 L193 V216 A220	L173-I177 HydrophobicContact CB-CD1 4.46Å; L173-I177 WeakPolarHBondContact O-CB 3.34Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.29Å; L173-I177 PolarHBondContact O-N 2.97Å; I177-R186 VanDerWaalsContact O-CD 3.26Å; I177-R186 WeakPolarHBondContact O-CD 3.28Å; I177-R186 VanDerWaalsContact O-CG 3.3Å; I177-R186 WeakPolarHBondContact O-CG 3.39Å; I177-L190 HydrophobicContact CD1-CD2 4.29Å; I177-L190 HydrophobicContact CG1-CD2 4.3Å; I177-L190 HydrophobicContact CG1-CG 4.34Å; I177-L190 HydrophobicContact CG2-CD2 4Å; I177-L190 HydrophobicContact CG2-CG 4.37Å; I177-L193 HydrophobicContact CD1-CB 4.14Å; I177-L193 HydrophobicContact CD1-CD2 3.85Å; I177-V216 HydrophobicContact CB-CG1 4.47Å; I177-V216 HydrophobicContact CG2-CG1 3.96Å; I177-A220 HydrophobicContact CG2-CB 3.47Å; I177-A220 VanDerWaalsContact CG2-CB 3.47Å
178	S	92.8	Very high	92.2	Very high	64 Å²	64	40.6 Å²	40.6	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2	-179.7	-50.2	0	0	0	0	114.1	V174 A176 P180 V216	V174-S178 WeakPolarHBondContact O-CB 3.44Å; V174-S178 PolarHBondContact O-N 2.54Å; V174-S178 PolarHBondContact O-OG 3.49Å; A176-S178 VanDerWaalsContact C-N 3.28Å; A176-S178 PolarHBondContact O-N 3.33Å; S178-P180 VanDerWaalsContact O-CD 3.31Å; S178-P180 WeakPolarHBondContact O-CD 3.41Å; S178-V216 WeakPolarHBondContact OG-CG1 3.33Å
179	D	91.7	Very high	92.3	Very high	16 Å²	16	36.8 Å²	36.8	9%	0.086	21%	0.206	C	C	.	.			trans	-72.1	118.9	-174.3	-165.4	-60.3	0	0	0	111.1	R144 R175 A176 S181 L185 R186	R144-D179 IonicContact CZ-OD2 3.68Å; R144-D179 IonicContact NH1-OD2 2.69Å; R144-D179 PolarHBondContact NH1-OD2 3.31Å; R144-D179 IonicContact NH2-OD2 3.61Å; R144-D179 PolarHBondContact NH2-OD2 2.92Å; R175-D179 WeakPolarHBondContact O-CB 3.44Å; R175-D179 PolarHBondContact O-N 3.12Å; A176-D179 WeakPolarHBondContact O-CB 3.46Å; A176-D179 PolarHBondContact O-N 3.31Å; D179-S181 VanDerWaalsContact C-N 3.29Å; D179-S181 PolarHBondContact O-N 3.05Å; D179-S181 WeakPolarHBondContact OD1-CA 3.45Å; D179-S181 VanDerWaalsContact OD1-CB 3.25Å; D179-S181 WeakPolarHBondContact OD1-CB 3.5Å; D179-S181 PolarHBondContact OD1-N 3.13Å; D179-S181 PolarHBondContact OD1-OG 2.78Å; D179-L185 HydrophobicContact CB-CD2 3.77Å; D179-L185 HydrophobicContact CB-CG 4.42Å; D179-R186 WeakPolarHBondContact O-CD 3.27Å; D179-R186 WeakPolarHBondContact O-CG 3.48Å; D179-R186 PolarHBondContact O-NH1 3.18Å
180	P	87.1	Confident	92.4	Very high	120 Å²	120	37 Å²	37	78%	0.779	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.3	-177.7	32	-35.6	0	0	0	113.6	S178	S178-P180 VanDerWaalsContact O-CD 3.31Å; S178-P180 WeakPolarHBondContact O-CD 3.41Å
181	S	86.4	Confident	92.4	Very high	86 Å²	86	40.4 Å²	40.4	60%	0.601	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-16.7	-168.4	70.8	0	0	0	0	115.4	D179	D179-S181 VanDerWaalsContact C-N 3.29Å; D179-S181 PolarHBondContact O-N 3.05Å; D179-S181 WeakPolarHBondContact OD1-CA 3.45Å; D179-S181 VanDerWaalsContact OD1-CB 3.25Å; D179-S181 WeakPolarHBondContact OD1-CB 3.5Å; D179-S181 PolarHBondContact OD1-N 3.13Å; D179-S181 PolarHBondContact OD1-OG 2.78Å
182	S	88.8	Confident	92.5	Very high	12 Å²	12	34.2 Å²	34.2	8%	0.084	19%	0.189	C	C	.	.			trans	-145.6	128.3	178.8	164.9	0	0	0	0	110.4	E184 L185 R186	S182-E184 PolarHBondContact OG-N 3.1Å; S182-E184 PolarHBondContact OG-OE2 3.07Å; S182-L185 PolarHBondContact OG-N 3.26Å; S182-R186 PolarHBondContact O-NH1 3.24Å
183	S	88.9	Confident	92.6	Very high	31 Å²	31	33.7 Å²	33.7	22%	0.217	19%	0.187	C	C	.	.	H	α-helix	trans	-70.4	-40.6	171.9	41.5	0	0	0	0	110.8	L185 R186 A187	S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 3.07Å; S183-R186 WeakPolarHBondContact O-CB 3.36Å; S183-R186 PolarHBondContact O-N 3.06Å; S183-A187 PolarHBondContact O-N 3.28Å
184	E	88.8	Confident	92.6	Very high	86 Å²	86	33.8 Å²	33.8	40%	0.402	19%	0.188	S	C	.	.	H	α-helix	trans	-61.1	-39.5	-179	-52.1	84.3	170	0	0	111.7	S182 A187 A188	S182-E184 PolarHBondContact OG-N 3.1Å; S182-E184 PolarHBondContact OG-OE2 3.07Å; E184-A187 PolarHBondContact O-N 3.18Å; E184-A188 VanDerWaalsContact O-CB 3.31Å; E184-A188 WeakPolarHBondContact O-CB 3.2Å; E184-A188 PolarHBondContact O-N 2.94Å
185	L	92.6	Very high	92.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.4	-38.7	174.2	176.1	58.6	0	0	0	112.2	R144 E145 A176 D179 S182 S183 G189	R144-L185 HydrophobicContact CB-CD1 3.76Å; R144-L185 HydrophobicContact CB-CD2 4.06Å; E145-L185 HydrophobicContact CB-CD1 4.43Å; A176-L185 HydrophobicContact CB-CD1 3.83Å; A176-L185 HydrophobicContact CB-CG 4.2Å; D179-L185 HydrophobicContact CB-CD2 3.77Å; D179-L185 HydrophobicContact CB-CG 4.42Å; S182-L185 PolarHBondContact OG-N 3.26Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 3.07Å; L185-G189 PolarHBondContact O-N 2.92Å
186	R	93.3	Very high	92.5	Very high	28 Å²	28	26.4 Å²	26.4	11%	0.106	16%	0.156	C	C	.	.	H	α-helix	trans	-66.3	-45.8	176.6	-67.2	-168	-63.8	-89.4	1.7	110.7	I177 D179 S182 S183 G189 L190	I177-R186 VanDerWaalsContact O-CD 3.26Å; I177-R186 WeakPolarHBondContact O-CD 3.28Å; I177-R186 VanDerWaalsContact O-CG 3.3Å; I177-R186 WeakPolarHBondContact O-CG 3.39Å; D179-R186 WeakPolarHBondContact O-CD 3.27Å; D179-R186 WeakPolarHBondContact O-CG 3.48Å; D179-R186 PolarHBondContact O-NH1 3.18Å; S182-R186 PolarHBondContact O-NH1 3.24Å; S183-R186 WeakPolarHBondContact O-CB 3.36Å; S183-R186 PolarHBondContact O-N 3.06Å; R186-G189 PolarHBondContact O-N 3.05Å; R186-L190 WeakPolarHBondContact O-CG 3.23Å; R186-L190 PolarHBondContact O-N 3.18Å
187	A	92	Very high	92.5	Very high	8 Å²	8	26.1 Å²	26.1	7%	0.066	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-47.9	176.7	0	0	0	0	0	111.6	S183 E184 G189 L190 R191 T233	S183-A187 PolarHBondContact O-N 3.28Å; E184-A187 PolarHBondContact O-N 3.18Å; A187-G189 VanDerWaalsContact C-N 3.3Å; A187-G189 PolarHBondContact O-N 2.91Å; A187-L190 PolarHBondContact O-N 3.1Å; A187-R191 PolarHBondContact O-N 3.45Å; A187-T233 HydrophobicContact CB-CG2 3.95Å
188	A	92.7	Very high	92.4	Very high	6 Å²	6	28.6 Å²	28.6	5%	0.05	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-37.6	175.3	0	0	0	0	0	112.4	E145 C148 E184 A192	E145-A188 HydrophobicContact CG-CB 4.05Å; C148-A188 HydrophobicContact CB-CB 3.9Å; E184-A188 VanDerWaalsContact O-CB 3.31Å; E184-A188 WeakPolarHBondContact O-CB 3.2Å; E184-A188 PolarHBondContact O-N 2.94Å; A188-A192 WeakPolarHBondContact O-CB 3.5Å; A188-A192 PolarHBondContact O-N 3.27Å
189	G	95.4	Very high	92.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-36.2	175.1	0	0	0	0	0	113.5	L185 R186 A187 L193	L185-G189 PolarHBondContact O-N 2.92Å; R186-G189 PolarHBondContact O-N 3.05Å; A187-G189 VanDerWaalsContact C-N 3.3Å; A187-G189 PolarHBondContact O-N 2.91Å; G189-L193 WeakPolarHBondContact O-CB 3.49Å; G189-L193 PolarHBondContact O-N 2.97Å
190	L	95.6	Very high	92.3	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-69.9	-45.7	175.9	-75.3	169.7	0	0	0	111.7	I177 R186 A187 A192 L193 A194 A217 A220 I221 P234 A237	I177-L190 HydrophobicContact CD1-CD2 4.29Å; I177-L190 HydrophobicContact CG1-CD2 4.3Å; I177-L190 HydrophobicContact CG1-CG 4.34Å; I177-L190 HydrophobicContact CG2-CD2 4Å; I177-L190 HydrophobicContact CG2-CG 4.37Å; R186-L190 WeakPolarHBondContact O-CG 3.23Å; R186-L190 PolarHBondContact O-N 3.18Å; A187-L190 PolarHBondContact O-N 3.1Å; L190-A192 PolarHBondContact O-N 3.33Å; L190-L193 WeakPolarHBondContact O-CB 3.28Å; L190-L193 PolarHBondContact O-N 3.41Å; L190-A194 PolarHBondContact O-N 3.48Å; L190-A217 HydrophobicContact CD2-CB 3.61Å; L190-A220 HydrophobicContact CD1-CB 4.32Å; L190-I221 HydrophobicContact CD1-CG1 3.82Å; L190-I221 HydrophobicContact CD2-CG1 4.33Å; L190-P234 HydrophobicContact CD1-CB 3.71Å; L190-P234 HydrophobicContact CD1-CG 4.28Å; L190-A237 HydrophobicContact CB-CB 4.34Å
191	R	93.7	Very high	92.4	Very high	77 Å²	77	24.4 Å²	24.4	29%	0.291	14%	0.135	S	C	.	.	H	α-helix	trans	-56.4	-51.4	173.1	-173.9	179.8	-64.3	130.8	-3.5	110.5	A187 L193 A194 A195 E663	A187-R191 PolarHBondContact O-N 3.45Å; R191-L193 VanDerWaalsContact C-N 3.27Å; R191-L193 PolarHBondContact O-N 3.44Å; R191-A194 WeakPolarHBondContact O-CA 3.46Å; R191-A194 WeakPolarHBondContact O-CB 3.43Å; R191-A194 PolarHBondContact O-N 2.82Å; R191-A195 PolarHBondContact O-N 2.63Å; R191-E663 VanDerWaalsContact CG-OE1 3.22Å; R191-E663 WeakPolarHBondContact CG-OE1 3.45Å
192	A	95.1	Very high	92.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.9	-35.9	176.1	0	0	0	0	0	114.5	C148 F151 L173 A188 L190 F196	C148-A192 HydrophobicContact CB-CB 4.21Å; C148-A192 WeakPolarHBondContact O-CB 3.48Å; F151-A192 HydrophobicContact CD1-CB 4.14Å; L173-A192 HydrophobicContact CD2-CB 3.82Å; A188-A192 WeakPolarHBondContact O-CB 3.5Å; A188-A192 PolarHBondContact O-N 3.27Å; L190-A192 PolarHBondContact O-N 3.33Å; A192-F196 WeakPolarHBondContact O-CB 3.43Å; A192-F196 PolarHBondContact O-N 2.9Å
193	L	95.9	Very high	92.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.4	-47.6	172.7	174.9	63.9	0	0	0	110.9	L173 I177 G189 L190 R191 F196 T197 L213 A217	L173-L193 HydrophobicContact CD1-CD1 4.14Å; I177-L193 HydrophobicContact CD1-CB 4.14Å; I177-L193 HydrophobicContact CD1-CD2 3.85Å; G189-L193 WeakPolarHBondContact O-CB 3.49Å; G189-L193 PolarHBondContact O-N 2.97Å; L190-L193 WeakPolarHBondContact O-CB 3.28Å; L190-L193 PolarHBondContact O-N 3.41Å; R191-L193 VanDerWaalsContact C-N 3.27Å; R191-L193 PolarHBondContact O-N 3.44Å; L193-F196 PolarHBondContact O-N 3.1Å; L193-T197 HydrophobicContact CD1-CG2 3.96Å; L193-T197 WeakPolarHBondContact O-CG2 3.42Å; L193-T197 PolarHBondContact O-N 3.07Å; L193-T197 PolarHBondContact O-OG1 3.2Å; L193-L213 HydrophobicContact CD1-CD2 4Å; L193-L213 HydrophobicContact CD2-CB 4.41Å; L193-A217 HydrophobicContact CD2-CB 3.96Å
194	A	94.7	Very high	92.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-55.7	-57.7	177.8	0	0	0	0	0	110.7	L190 R191 F196 T197 V198 A237 D240 I241	L190-A194 PolarHBondContact O-N 3.48Å; R191-A194 WeakPolarHBondContact O-CA 3.46Å; R191-A194 WeakPolarHBondContact O-CB 3.43Å; R191-A194 PolarHBondContact O-N 2.82Å; A194-F196 PolarHBondContact O-N 3.36Å; A194-F196 VanDerWaalsContact O-N 3.13Å; A194-T197 PolarHBondContact O-N 2.97Å; A194-T197 VanDerWaalsContact O-N 3.08Å; A194-T197 PolarHBondContact O-OG1 2.92Å; A194-V198 WeakPolarHBondContact O-CB 3.44Å; A194-V198 VanDerWaalsContact O-CG2 3.27Å; A194-V198 WeakPolarHBondContact O-CG2 3.35Å; A194-V198 PolarHBondContact O-N 3.27Å; A194-A237 HydrophobicContact CB-CB 3.98Å; A194-A237 WeakPolarHBondContact CB-O 3.48Å; A194-D240 HydrophobicContact CB-CB 4.45Å; A194-I241 HydrophobicContact CB-CD1 3.91Å; A194-I241 HydrophobicContact CB-CG1 3.67Å
195	A	92.6	Very high	92.6	Very high	7 Å²	7	33.1 Å²	33.1	6%	0.058	18%	0.181	C	C	.	.	H	α-helix	trans	-41.1	-52.7	173.2	0	0	0	0	0	113.2	G152 P155 R191 V198 Q199 E663	G152-A195 VanDerWaalsContact O-CB 3.31Å; G152-A195 WeakPolarHBondContact O-CB 3.44Å; P155-A195 HydrophobicContact CB-CB 4.33Å; P155-A195 HydrophobicContact CG-CB 3.56Å; R191-A195 PolarHBondContact O-N 2.63Å; A195-V198 PolarHBondContact O-N 2.69Å; A195-Q199 WeakPolarHBondContact O-CB 3.49Å; A195-Q199 PolarHBondContact O-N 3.24Å; A195-E663 WeakPolarHBondContact CA-OE1 3.44Å; A195-E663 HydrophobicContact CB-CG 3.69Å; A195-E663 WeakPolarHBondContact CB-OE1 3.31Å; A195-E663 WeakPolarHBondContact CB-OE2 3.41Å; A195-E663 PolarHBondContact N-OE1 3.23Å
196	F	94.7	Very high	92.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-72.1	-38.9	-172.9	-174.2	-100.1	0	0	0	111.9	F151 P155 Q162 I166 I169 A192 L193 A194 N200 V206 L210	F151-F196 HydrophobicContact CE1-CB 3.88Å; F151-F196 AromaticContact CE1-CD2 3.95Å; F151-F196 HydrophobicContact CE1-CD2 3.95Å; F151-F196 AromaticContact CE1-CG 3.99Å; F151-F196 HydrophobicContact CE1-CG 3.99Å; F151-F196 HydrophobicContact CE2-CD2 4.25Å; F151-F196 HydrophobicContact CZ-CB 4.21Å; F151-F196 AromaticContact CZ-CD2 3.37Å; F151-F196 HydrophobicContact CZ-CD2 3.37Å; F151-F196 AromaticContact CZ-CE2 3.89Å; F151-F196 HydrophobicContact CZ-CE2 3.89Å; F151-F196 AromaticContact CZ-CG 3.85Å; F151-F196 HydrophobicContact CZ-CG 3.85Å; P155-F196 HydrophobicContact CB-CB 4.1Å; P155-F196 HydrophobicContact CB-CD2 3.86Å; P155-F196 HydrophobicContact CB-CG 4.48Å; Q162-F196 HydrophobicContact CG-CE2 4.19Å; Q162-F196 HydrophobicContact CG-CZ 3.9Å; I166-F196 HydrophobicContact CD1-CE1 3.62Å; I166-F196 HydrophobicContact CD1-CZ 3.86Å; I169-F196 HydrophobicContact CD1-CE2 4.18Å; I169-F196 HydrophobicContact CD1-CZ 4.03Å; I169-F196 HydrophobicContact CG2-CD1 4.48Å; I169-F196 HydrophobicContact CG2-CE1 4.36Å; I169-F196 HydrophobicContact CG2-CZ 4.47Å; A192-F196 WeakPolarHBondContact O-CB 3.43Å; A192-F196 PolarHBondContact O-N 2.9Å; L193-F196 PolarHBondContact O-N 3.1Å; A194-F196 PolarHBondContact O-N 3.36Å; A194-F196 VanDerWaalsContact O-N 3.13Å; F196-N200 WeakPolarHBondContact O-CB 3.4Å; F196-N200 PolarHBondContact O-N 2.67Å; F196-N200 PolarHBondContact O-ND2 3.14Å; F196-V206 HydrophobicContact CE1-CG1 3.78Å; F196-V206 HydrophobicContact CZ-CG1 4.19Å; F196-L210 HydrophobicContact CD1-CD1 3.59Å; F196-L210 HydrophobicContact CE1-CD1 3.56Å
197	T	94.6	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.5	-39.9	175.2	51.7	0	0	0	0	112.3	L193 A194 N200 A201 L207 Y248	L193-T197 HydrophobicContact CD1-CG2 3.96Å; L193-T197 WeakPolarHBondContact O-CG2 3.42Å; L193-T197 PolarHBondContact O-N 3.07Å; L193-T197 PolarHBondContact O-OG1 3.2Å; A194-T197 PolarHBondContact O-N 2.97Å; A194-T197 VanDerWaalsContact O-N 3.08Å; A194-T197 PolarHBondContact O-OG1 2.92Å; T197-N200 CarbonylContact O-C 3.55Å; T197-N200 VanDerWaalsContact O-C 3.23Å; T197-N200 PolarHBondContact O-N 3.47Å; T197-N200 VanDerWaalsContact O-N 3.15Å; T197-A201 WeakPolarHBondContact O-CA 3.42Å; T197-A201 PolarHBondContact O-N 3.4Å; T197-L207 HydrophobicContact CG2-CD2 4.25Å; T197-Y248 HydrophobicContact CG2-CD1 3.86Å; T197-Y248 HydrophobicContact CG2-CD2 4.38Å; T197-Y248 HydrophobicContact CG2-CE1 3.85Å; T197-Y248 HydrophobicContact CG2-CE2 4.37Å; T197-Y248 HydrophobicContact CG2-CG 4.14Å
198	V	92.6	Very high	92.5	Very high	52 Å²	52	36.9 Å²	36.9	32%	0.315	20%	0.2	S	C	.	.	H	α-helix	trans	-62.6	-47.2	176.7	168.8	0	0	0	0	110.8	A194 A195 N200 A201 D240 A244 A245	A194-V198 WeakPolarHBondContact O-CB 3.44Å; A194-V198 VanDerWaalsContact O-CG2 3.27Å; A194-V198 WeakPolarHBondContact O-CG2 3.35Å; A194-V198 PolarHBondContact O-N 3.27Å; A195-V198 PolarHBondContact O-N 2.69Å; V198-N200 PolarHBondContact O-N 3.13Å; V198-N200 VanDerWaalsContact O-N 3.15Å; V198-A201 WeakPolarHBondContact O-CB 3.38Å; V198-A201 PolarHBondContact O-N 3.36Å; V198-D240 HydrophobicContact CG2-CB 4.48Å; V198-D240 WeakPolarHBondContact CG2-O 3.24Å; V198-A244 HydrophobicContact CB-CB 4.33Å; V198-A244 HydrophobicContact CG1-CB 3.71Å; V198-A244 HydrophobicContact CG2-CB 4.02Å; V198-A245 HydrophobicContact CG2-CB 4.3Å
199	Q	91.1	Very high	92.5	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-27.6	176.3	-166.9	-170.1	-68.3	0	0	112.9	P155 S156 A195	P155-Q199 VanDerWaalsContact C-OE1 3.31Å; P155-Q199 HydrophobicContact CB-CB 4.29Å; P155-Q199 VanDerWaalsContact CD-OE1 3.27Å; P155-Q199 HydrophobicContact CG-CB 4.45Å; S156-Q199 VanDerWaalsContact CA-NE2 3.34Å; A195-Q199 WeakPolarHBondContact O-CB 3.49Å; A195-Q199 PolarHBondContact O-N 3.24Å
200	N	92.3	Very high	92.5	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.053	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	25.8	-177.7	-66.9	-81.6	0	0	0	112.5	Q162 F196 T197 V198 T202 E203 V206	Q162-N200 PolarHBondContact NE2-OD1 3.01Å; F196-N200 WeakPolarHBondContact O-CB 3.4Å; F196-N200 PolarHBondContact O-N 2.67Å; F196-N200 PolarHBondContact O-ND2 3.14Å; T197-N200 CarbonylContact O-C 3.55Å; T197-N200 VanDerWaalsContact O-C 3.23Å; T197-N200 PolarHBondContact O-N 3.47Å; T197-N200 VanDerWaalsContact O-N 3.15Å; V198-N200 PolarHBondContact O-N 3.13Å; V198-N200 VanDerWaalsContact O-N 3.15Å; N200-T202 PolarHBondContact O-N 3.45Å; N200-E203 HydrophobicContact CB-CB 4.33Å; N200-E203 PolarHBondContact O-N 2.95Å; N200-V206 HydrophobicContact CB-CB 4.28Å; N200-V206 HydrophobicContact CB-CG1 3.88Å
201	A	89.7	Confident	92.3	Very high	20 Å²	20	44.8 Å²	44.8	17%	0.165	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.7	-174.6	0	0	0	0	0	114	T197 V198 A244 A245	T197-A201 WeakPolarHBondContact O-CA 3.42Å; T197-A201 PolarHBondContact O-N 3.4Å; V198-A201 WeakPolarHBondContact O-CB 3.38Å; V198-A201 PolarHBondContact O-N 3.36Å; A201-A244 WeakPolarHBondContact CB-O 3.37Å; A201-A245 HydrophobicContact CB-CB 4.43Å
202	T	87	Confident	92.2	Very high	119 Å²	119	46.2 Å²	46.2	73%	0.73	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.9	178.3	54.6	0	0	0	0	113.6	N200 D204	N200-T202 PolarHBondContact O-N 3.45Å; T202-D204 PolarHBondContact O-N 2.8Å
203	E	90.2	Very high	92.2	Very high	100 Å²	100	46.8 Å²	46.8	47%	0.467	25%	0.253	S	S	.	.			trans	-97.3	79.3	-174.9	-71.7	-70.9	173.9	0	0	111.4	N200 S205 V206 L207	N200-E203 HydrophobicContact CB-CB 4.33Å; N200-E203 PolarHBondContact O-N 2.95Å; E203-S205 PolarHBondContact O-N 2.77Å; E203-V206 HydrophobicContact CB-CB 4.06Å; E203-V206 HydrophobicContact CB-CG2 3.87Å; E203-V206 WeakPolarHBondContact O-CB 3.43Å; E203-V206 PolarHBondContact O-N 2.94Å; E203-L207 PolarHBondContact O-N 2.92Å
204	D	88.3	Confident	92.2	Very high	100 Å²	100	46.9 Å²	46.9	54%	0.535	25%	0.254	S	S	.	.	H	α-helix	trans	-50.9	-34.1	-176.6	-72.9	-17.7	0	0	0	113.4	T202 V206 Q208	T202-D204 PolarHBondContact O-N 2.8Å; D204-V206 VanDerWaalsContact C-N 3.34Å; D204-V206 PolarHBondContact O-N 3.42Å; D204-Q208 WeakPolarHBondContact O-CB 3.48Å; D204-Q208 PolarHBondContact O-N 3Å
205	S	90.7	Very high	92.3	Very high	79 Å²	79	49.5 Å²	49.5	55%	0.552	27%	0.271	S	S	*	.	H	α-helix	trans	-66.1	-35.2	179	73.3	0	0	0	0	113.2	E203 S209	E203-S205 PolarHBondContact O-N 2.77Å; S205-S209 WeakPolarHBondContact O-CB 3.48Å; S205-S209 PolarHBondContact O-N 2.91Å; S205-S209 PolarHBondContact O-OG 3.21Å
206	V	91.7	Very high	92.4	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-73.1	-51.1	178	175.6	0	0	0	0	109.2	I166 F196 N200 E203 D204 Q208 S209 L210	I166-V206 HydrophobicContact CD1-CG1 3.89Å; F196-V206 HydrophobicContact CE1-CG1 3.78Å; F196-V206 HydrophobicContact CZ-CG1 4.19Å; N200-V206 HydrophobicContact CB-CB 4.28Å; N200-V206 HydrophobicContact CB-CG1 3.88Å; E203-V206 HydrophobicContact CB-CB 4.06Å; E203-V206 HydrophobicContact CB-CG2 3.87Å; E203-V206 WeakPolarHBondContact O-CB 3.43Å; E203-V206 PolarHBondContact O-N 2.94Å; D204-V206 VanDerWaalsContact C-N 3.34Å; D204-V206 PolarHBondContact O-N 3.42Å; V206-Q208 VanDerWaalsContact C-N 3.29Å; V206-Q208 PolarHBondContact O-N 3.14Å; V206-S209 WeakPolarHBondContact O-CB 3.48Å; V206-S209 PolarHBondContact O-N 2.77Å; V206-S209 VanDerWaalsContact O-N 3.1Å; V206-L210 PolarHBondContact O-N 3.14Å
207	L	92.8	Very high	92.5	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-44.7	178.1	-60.3	-173.7	0	0	0	111.2	T197 E203 S209 L210 R211 K247 Y248	T197-L207 HydrophobicContact CG2-CD2 4.25Å; E203-L207 PolarHBondContact O-N 2.92Å; L207-S209 VanDerWaalsContact C-N 3.31Å; L207-S209 PolarHBondContact O-N 3.47Å; L207-L210 PolarHBondContact O-N 3.45Å; L207-L210 VanDerWaalsContact O-N 3.15Å; L207-R211 PolarHBondContact O-N 2.96Å; L207-R211 VanDerWaalsContact O-N 3.12Å; L207-K247 HydrophobicContact CD1-CB 4.18Å; L207-Y248 HydrophobicContact CB-CD2 4.18Å; L207-Y248 HydrophobicContact CD2-CD2 4.38Å
208	Q	92	Very high	92.6	Very high	95 Å²	95	52.4 Å²	52.4	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-34.6	179.2	-174.2	67.8	-16.5	0	0	113	D204 V206 L210 R211	D204-Q208 WeakPolarHBondContact O-CB 3.48Å; D204-Q208 PolarHBondContact O-N 3Å; V206-Q208 VanDerWaalsContact C-N 3.29Å; V206-Q208 PolarHBondContact O-N 3.14Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.46Å; Q208-R211 WeakPolarHBondContact O-CD 3.43Å; Q208-R211 VanDerWaalsContact O-CG 3.28Å; Q208-R211 WeakPolarHBondContact O-CG 3.3Å; Q208-R211 PolarHBondContact O-N 2.89Å
209	S	92.6	Very high	92.7	Very high	76 Å²	76	55.8 Å²	55.8	53%	0.531	30%	0.3	S	S	.	.	H	α-helix	trans	-68.9	-26	177.7	-63.9	0	0	0	0	112.7	S205 V206 L207	S205-S209 WeakPolarHBondContact O-CB 3.48Å; S205-S209 PolarHBondContact O-N 2.91Å; S205-S209 PolarHBondContact O-OG 3.21Å; V206-S209 WeakPolarHBondContact O-CB 3.48Å; V206-S209 PolarHBondContact O-N 2.77Å; V206-S209 VanDerWaalsContact O-N 3.1Å; L207-S209 VanDerWaalsContact C-N 3.31Å; L207-S209 PolarHBondContact O-N 3.47Å
210	L	93.8	Very high	92.8	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-99.7	-0.3	179.3	-64.2	-178.3	0	0	0	114	I166 F196 V206 L207 Q208 E212 L213 Y248	I166-L210 HydrophobicContact CD1-CD1 3.98Å; I166-L210 HydrophobicContact CD1-CD2 4.04Å; I166-L210 HydrophobicContact CD1-CG 3.96Å; I166-L210 HydrophobicContact CG1-CD2 4.27Å; I166-L210 HydrophobicContact CG1-CG 4.38Å; F196-L210 HydrophobicContact CD1-CD1 3.59Å; F196-L210 HydrophobicContact CE1-CD1 3.56Å; V206-L210 PolarHBondContact O-N 3.14Å; L207-L210 PolarHBondContact O-N 3.45Å; L207-L210 VanDerWaalsContact O-N 3.15Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.46Å; L210-E212 PolarHBondContact O-N 3.06Å; L210-L213 HydrophobicContact CD2-CD1 4.47Å; L210-L213 HydrophobicContact CD2-CD2 4.47Å; L210-L213 WeakPolarHBondContact O-CB 3.39Å; L210-L213 PolarHBondContact O-N 3.01Å; L210-Y248 HydrophobicContact CB-CE2 3.95Å; L210-Y248 PolarHBondContact O-OH 3.5Å
211	R	92.3	Very high	93	Very high	98 Å²	98	51.9 Å²	51.9	37%	0.37	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-55.1	-29.3	-173	75.4	-172.9	-168.9	179.8	3.3	114.8	L207 Q208 L213 V214 Y252	L207-R211 PolarHBondContact O-N 2.96Å; L207-R211 VanDerWaalsContact O-N 3.12Å; Q208-R211 WeakPolarHBondContact O-CD 3.43Å; Q208-R211 VanDerWaalsContact O-CG 3.28Å; Q208-R211 WeakPolarHBondContact O-CG 3.3Å; Q208-R211 PolarHBondContact O-N 2.89Å; R211-L213 PolarHBondContact O-N 2.96Å; R211-V214 PolarHBondContact O-N 3.31Å; R211-Y252 WeakPolarHBondContact O-CE2 3.44Å
212	E	90.7	Very high	93.1	Very high	108 Å²	108	51.9 Å²	51.9	51%	0.505	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-72.1	-10.4	-179.9	-54.5	-63.4	147.4	0	0	112.4	L210	L210-E212 PolarHBondContact O-N 3.06Å
213	L	95.5	Very high	93.3	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.063	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-79.4	-21.9	172.8	-82	65.7	0	0	0	112.4	L173 V174 L193 L210 R211 V216 A217 Y248	L173-L213 HydrophobicContact CB-CD2 3.87Å; L173-L213 HydrophobicContact CD1-CD2 4.37Å; V174-L213 HydrophobicContact CG2-CD1 3.51Å; V174-L213 HydrophobicContact CG2-CD2 4.01Å; V174-L213 HydrophobicContact CG2-CG 3.45Å; V174-L213 VanDerWaalsContact CG2-CG 3.45Å; L193-L213 HydrophobicContact CD1-CD2 4Å; L193-L213 HydrophobicContact CD2-CB 4.41Å; L210-L213 HydrophobicContact CD2-CD1 4.47Å; L210-L213 HydrophobicContact CD2-CD2 4.47Å; L210-L213 WeakPolarHBondContact O-CB 3.39Å; L210-L213 PolarHBondContact O-N 3.01Å; R211-L213 PolarHBondContact O-N 2.96Å; L213-V216 WeakPolarHBondContact O-CB 3.41Å; L213-V216 PolarHBondContact O-N 3.11Å; L213-V216 VanDerWaalsContact O-N 3.1Å; L213-A217 PolarHBondContact O-N 3.14Å; L213-Y248 WeakPolarHBondContact CB-OH 3.38Å
214	V	96.4	Very high	93.3	Very high	2 Å²	2	44 Å²	44	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-50.8	-177.8	-179.1	0	0	0	0	111.8	R211 V216 A217 L218 Y248 L249 Y252	R211-V214 PolarHBondContact O-N 3.31Å; V214-V216 PolarHBondContact O-N 2.71Å; V214-A217 PolarHBondContact O-N 2.84Å; V214-A217 VanDerWaalsContact O-N 3.15Å; V214-L218 HydrophobicContact CG1-CD1 4.03Å; V214-L218 HydrophobicContact CG1-CG 4.2Å; V214-L218 WeakPolarHBondContact O-CG 3.25Å; V214-L218 PolarHBondContact O-N 3.26Å; V214-Y248 HydrophobicContact CG2-CD1 3.91Å; V214-Y248 HydrophobicContact CG2-CD2 4.28Å; V214-Y248 HydrophobicContact CG2-CE1 3.4Å; V214-Y248 HydrophobicContact CG2-CE2 3.81Å; V214-Y248 HydrophobicContact CG2-CG 4.32Å; V214-L249 HydrophobicContact CG1-CD2 3.87Å; V214-Y252 HydrophobicContact CB-CD2 3.57Å; V214-Y252 HydrophobicContact CB-CE2 3.94Å; V214-Y252 HydrophobicContact CB-CG 4.12Å; V214-Y252 HydrophobicContact CG1-CD2 3.72Å; V214-Y252 HydrophobicContact CG1-CG 3.84Å; V214-Y252 HydrophobicContact CG2-CD2 3.94Å; V214-Y252 HydrophobicContact CG2-CE2 4.27Å
215	P	96.6	Very high	93.4	Very high	56 Å²	56	39.7 Å²	39.7	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-32.8	178.2	-23	35.7	0	0	0	113.2	Q219 Y252	P215-Q219 WeakPolarHBondContact O-CB 2.92Å; P215-Q219 PolarHBondContact O-N 3.47Å; P215-Y252 HydrophobicContact CG-CD1 3.99Å; P215-Y252 HydrophobicContact CG-CE1 3.45Å; P215-Y252 VanDerWaalsContact CG-CE1 3.45Å; P215-Y252 HydrophobicContact CG-CE2 4.43Å
216	V	95.6	Very high	93.2	Very high	42 Å²	42	43.2 Å²	43.2	26%	0.255	23%	0.227	S	C	.	.	H	α-helix	trans	-67.9	-43.8	177.5	-178.4	0	0	0	0	110.2	I177 S178 L213 V214 Q219 A220	I177-V216 HydrophobicContact CB-CG1 4.47Å; I177-V216 HydrophobicContact CG2-CG1 3.96Å; S178-V216 WeakPolarHBondContact OG-CG1 3.33Å; L213-V216 WeakPolarHBondContact O-CB 3.41Å; L213-V216 PolarHBondContact O-N 3.11Å; L213-V216 VanDerWaalsContact O-N 3.1Å; V214-V216 PolarHBondContact O-N 2.71Å; V216-Q219 PolarHBondContact O-N 3.04Å; V216-A220 WeakPolarHBondContact O-CB 3.2Å; V216-A220 PolarHBondContact O-N 2.96Å
217	A	96.4	Very high	92.9	Very high	9 Å²	9	46.9 Å²	46.9	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-49.3	176.2	0	0	0	0	0	111.6	L190 L193 L213 V214 Q219 A220 I221	L190-A217 HydrophobicContact CD2-CB 3.61Å; L193-A217 HydrophobicContact CD2-CB 3.96Å; L213-A217 PolarHBondContact O-N 3.14Å; V214-A217 PolarHBondContact O-N 2.84Å; V214-A217 VanDerWaalsContact O-N 3.15Å; A217-Q219 VanDerWaalsContact C-N 3.29Å; A217-Q219 PolarHBondContact O-N 3.47Å; A217-A220 WeakPolarHBondContact O-CB 3.32Å; A217-A220 PolarHBondContact O-N 3.28Å; A217-I221 WeakPolarHBondContact O-CG1 3.1Å; A217-I221 PolarHBondContact O-N 2.95Å
218	L	96.7	Very high	92.5	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-40	177.6	-65.2	179.2	0	0	0	112	V214 I221 A222 L238 P255 T256 L259	V214-L218 HydrophobicContact CG1-CD1 4.03Å; V214-L218 HydrophobicContact CG1-CG 4.2Å; V214-L218 WeakPolarHBondContact O-CG 3.25Å; V214-L218 PolarHBondContact O-N 3.26Å; L218-I221 PolarHBondContact O-N 2.71Å; L218-A222 WeakPolarHBondContact O-CB 3.26Å; L218-A222 PolarHBondContact O-N 3.19Å; L218-L238 HydrophobicContact CD2-CD1 4.35Å; L218-L238 HydrophobicContact CD2-CD2 4.28Å; L218-P255 HydrophobicContact CD1-CB 4.29Å; L218-T256 HydrophobicContact CD2-CG2 4.21Å; L218-L259 HydrophobicContact CB-CD2 3.99Å; L218-L259 HydrophobicContact CD2-CD2 3.99Å; L218-L259 WeakPolarHBondContact O-CD2 3.27Å
219	Q	94.9	Very high	91.6	Very high	124 Å²	124	47.5 Å²	47.5	58%	0.579	26%	0.26	S	S	*	.	H	α-helix	trans	-67.4	-37.3	175.3	-177.7	59.3	60.6	0	0	112.4	P215 V216 A217 T223	P215-Q219 WeakPolarHBondContact O-CB 2.92Å; P215-Q219 PolarHBondContact O-N 3.47Å; V216-Q219 PolarHBondContact O-N 3.04Å; A217-Q219 VanDerWaalsContact C-N 3.29Å; A217-Q219 PolarHBondContact O-N 3.47Å; Q219-T223 PolarHBondContact NE2-OG1 2.9Å; Q219-T223 WeakPolarHBondContact O-CB 3.23Å; Q219-T223 PolarHBondContact O-N 3.44Å; Q219-T223 PolarHBondContact O-OG1 2.92Å
220	A	93.6	Very high	91.1	Very high	6 Å²	6	52 Å²	52	5%	0.05	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-43.4	176	0	0	0	0	0	111.4	I177 L190 V216 A217 T223 A224	I177-A220 HydrophobicContact CG2-CB 3.47Å; I177-A220 VanDerWaalsContact CG2-CB 3.47Å; L190-A220 HydrophobicContact CD1-CB 4.32Å; V216-A220 WeakPolarHBondContact O-CB 3.2Å; V216-A220 PolarHBondContact O-N 2.96Å; A217-A220 WeakPolarHBondContact O-CB 3.32Å; A217-A220 PolarHBondContact O-N 3.28Å; A220-T223 PolarHBondContact O-N 2.92Å; A220-A224 WeakPolarHBondContact O-CB 3.15Å; A220-A224 PolarHBondContact O-N 3.37Å
221	I	94.8	Very high	90.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-50.4	173.8	-66.1	165.4	0	0	0	110.2	L190 A217 L218 T223 A224 I225 P234 L235 L238 L259	L190-I221 HydrophobicContact CD1-CG1 3.82Å; L190-I221 HydrophobicContact CD2-CG1 4.33Å; A217-I221 WeakPolarHBondContact O-CG1 3.1Å; A217-I221 PolarHBondContact O-N 2.95Å; L218-I221 PolarHBondContact O-N 2.71Å; I221-T223 PolarHBondContact O-N 3.31Å; I221-T223 VanDerWaalsContact O-N 3.17Å; I221-A224 PolarHBondContact O-N 3.48Å; I221-A224 VanDerWaalsContact O-N 3.12Å; I221-I225 HydrophobicContact CG2-CD1 3.72Å; I221-I225 HydrophobicContact CG2-CG1 4.48Å; I221-I225 WeakPolarHBondContact O-CG1 3.25Å; I221-I225 PolarHBondContact O-N 3.15Å; I221-I225 VanDerWaalsContact O-N 3.09Å; I221-P234 HydrophobicContact CB-CB 4.35Å; I221-P234 HydrophobicContact CG1-CB 3.83Å; I221-P234 HydrophobicContact CG2-CB 4.37Å; I221-L235 HydrophobicContact CG2-CD2 3.96Å; I221-L235 HydrophobicContact CG2-CG 4.41Å; I221-L238 HydrophobicContact CD1-CB 4Å; I221-L238 HydrophobicContact CD1-CD1 4.46Å; I221-L238 HydrophobicContact CD1-CD2 4Å; I221-L238 HydrophobicContact CD1-CG 4.38Å; I221-L259 HydrophobicContact CG2-CD2 4.45Å
222	A	93.3	Very high	90.4	Very high	20 Å²	20	50.2 Å²	50.2	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-31.6	177.9	0	0	0	0	0	113.2	L218 Q226 L259	L218-A222 WeakPolarHBondContact O-CB 3.26Å; L218-A222 PolarHBondContact O-N 3.19Å; A222-Q226 WeakPolarHBondContact O-CG 3.38Å; A222-L259 HydrophobicContact CB-CD1 3.75Å; A222-L259 HydrophobicContact CB-CD2 4.45Å
223	T	91.1	Very high	90.3	Very high	47 Å²	47	46.1 Å²	46.1	29%	0.288	25%	0.252	S	S	.	.	H	α-helix	trans	-77	-44.7	176.3	-53.1	0	0	0	0	111	Q219 A220 I221 I225 Q226 T227	Q219-T223 PolarHBondContact NE2-OG1 2.9Å; Q219-T223 WeakPolarHBondContact O-CB 3.23Å; Q219-T223 PolarHBondContact O-N 3.44Å; Q219-T223 PolarHBondContact O-OG1 2.92Å; A220-T223 PolarHBondContact O-N 2.92Å; I221-T223 PolarHBondContact O-N 3.31Å; I221-T223 VanDerWaalsContact O-N 3.17Å; T223-I225 PolarHBondContact O-N 3.19Å; T223-Q226 PolarHBondContact O-N 2.99Å; T223-Q226 VanDerWaalsContact O-N 3.13Å; T223-T227 HydrophobicContact CG2-CG2 4.27Å; T223-T227 WeakPolarHBondContact O-CG2 3.31Å; T223-T227 PolarHBondContact O-N 3.22Å; T223-T227 VanDerWaalsContact O-N 3.14Å; T223-T227 PolarHBondContact O-OG1 2.85Å; T223-T227 VanDerWaalsContact O-OG1 3.09Å
224	A	90.4	Very high	90.2	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	25%	0.25	C	S	.	.	H	α-helix	trans	-57.6	-49.1	-178.3	0	0	0	0	0	111.2	A220 I221 Q226 T227 D228 P234	A220-A224 WeakPolarHBondContact O-CB 3.15Å; A220-A224 PolarHBondContact O-N 3.37Å; I221-A224 PolarHBondContact O-N 3.48Å; I221-A224 VanDerWaalsContact O-N 3.12Å; A224-Q226 PolarHBondContact O-N 3.31Å; A224-Q226 VanDerWaalsContact O-N 3.13Å; A224-T227 PolarHBondContact O-N 3.25Å; A224-T227 PolarHBondContact O-OG1 3.37Å; A224-T227 VanDerWaalsContact O-OG1 3.08Å; A224-D228 PolarHBondContact O-N 3.16Å; A224-P234 HydrophobicContact CB-CB 4.29Å; A224-P234 HydrophobicContact CB-CG 3.69Å
225	I	89.8	Confident	90.1	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-58.2	-29.6	178.9	-65.5	168.1	0	0	0	112.5	I221 T223 L235 I263 L269	I221-I225 HydrophobicContact CG2-CD1 3.72Å; I221-I225 HydrophobicContact CG2-CG1 4.48Å; I221-I225 WeakPolarHBondContact O-CG1 3.25Å; I221-I225 PolarHBondContact O-N 3.15Å; I221-I225 VanDerWaalsContact O-N 3.09Å; T223-I225 PolarHBondContact O-N 3.19Å; I225-L235 HydrophobicContact CD1-CD1 3.93Å; I225-L235 HydrophobicContact CD1-CD2 4.04Å; I225-L235 HydrophobicContact CD1-CG 4.02Å; I225-L235 HydrophobicContact CG1-CD1 4.37Å; I225-I263 HydrophobicContact CD1-CD1 3.24Å; I225-I263 HydrophobicContact CD1-CG1 3.73Å; I225-I263 HydrophobicContact CD1-CG2 4.18Å; I225-L269 HydrophobicContact CG2-CD1 3.46Å; I225-L269 VanDerWaalsContact CG2-CD1 3.46Å; I225-L269 HydrophobicContact CG2-CD2 3.76Å; I225-L269 HydrophobicContact CG2-CG 4.27Å
226	Q	85.6	Confident	89.9	Confident	153 Å²	153	46.3 Å²	46.3	72%	0.715	25%	0.247	S	C	*	.	H	α-helix	trans	-84.7	-23.3	177.3	-69.1	177.4	6.7	0	0	113.6	A222 T223 A224	A222-Q226 WeakPolarHBondContact O-CG 3.38Å; T223-Q226 PolarHBondContact O-N 2.99Å; T223-Q226 VanDerWaalsContact O-N 3.13Å; A224-Q226 PolarHBondContact O-N 3.31Å; A224-Q226 VanDerWaalsContact O-N 3.13Å
227	T	86	Confident	89.8	Confident	90 Å²	90	44.5 Å²	44.5	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-99.7	-30.6	-172.8	53.1	0	0	0	0	113.7	T223 A224	T223-T227 HydrophobicContact CG2-CG2 4.27Å; T223-T227 WeakPolarHBondContact O-CG2 3.31Å; T223-T227 PolarHBondContact O-N 3.22Å; T223-T227 VanDerWaalsContact O-N 3.14Å; T223-T227 PolarHBondContact O-OG1 2.85Å; T223-T227 VanDerWaalsContact O-OG1 3.09Å; A224-T227 PolarHBondContact O-N 3.25Å; A224-T227 PolarHBondContact O-OG1 3.37Å; A224-T227 VanDerWaalsContact O-OG1 3.08Å
228	D	83.9	Confident	89.8	Confident	59 Å²	59	44.3 Å²	44.3	32%	0.316	24%	0.235	S	C	.	.			trans	-141.7	103.6	-176.7	-160.8	-18.8	0	0	0	108.4	A224 E230 D231 Q273	A224-D228 PolarHBondContact O-N 3.16Å; D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.3Å; D228-E230 PolarHBondContact OD1-N 3.13Å; D228-D231 HydrophobicContact CB-CB 4.19Å; D228-Q273 PolarHBondContact O-NE2 3.29Å
229	S	74.5	Confident	89.8	Confident	57 Å²	57	44.7 Å²	44.7	40%	0.399	24%	0.238	S	C	.	.	S	Bend	trans	-76.4	-14.8	-176.2	53.6	0	0	0	0	112.8	Q273	S229-Q273 PolarHBondContact O-NE2 3.49Å
230	E	81	Confident	89.7	Confident	170 Å²	170	41.2 Å²	41.2	79%	0.794	22%	0.223	S	C	*	.	S	Bend	trans	-93.9	-17.7	-179.7	-64.9	-178.6	-175.5	0	0	112.6	D228 D232	D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.3Å; D228-E230 PolarHBondContact OD1-N 3.13Å; E230-D232 PolarHBondContact O-N 2.98Å
231	D	84.9	Confident	89.8	Confident	29 Å²	29	41.4 Å²	41.4	16%	0.155	22%	0.223	C	C	.	.			trans	-83.5	107.5	179.5	-172.9	19	0	0	0	111.6	D228 T233 Q273	D228-D231 HydrophobicContact CB-CB 4.19Å; D231-T233 WeakPolarHBondContact OD1-CB 3.35Å; D231-T233 PolarHBondContact OD1-N 2.94Å; D231-T233 VanDerWaalsContact OD1-N 3.16Å; D231-T233 PolarHBondContact OD1-OG1 3.28Å; D231-Q273 PolarHBondContact O-NE2 3.1Å
232	D	87.2	Confident	89.9	Confident	35 Å²	35	41.2 Å²	41.2	19%	0.187	22%	0.222	C	C	.	.			trans	-96.1	-10.5	177.5	70.3	-9	0	0	0	113.3	E230 P234 L235 K236 L276	E230-D232 PolarHBondContact O-N 2.98Å; D232-P234 VanDerWaalsContact C-N 3.32Å; D232-L235 PolarHBondContact O-N 3Å; D232-K236 PolarHBondContact O-N 3.18Å; D232-K236 IonicContact OD1-NZ 3Å; D232-K236 WeakPolarHBondContact OD2-CE 3.42Å; D232-K236 IonicContact OD2-NZ 2.82Å; D232-K236 PolarHBondContact OD2-NZ 3.2Å; D232-L276 HydrophobicContact CB-CD1 3.67Å
233	T	88.3	Confident	90	Very high	21 Å²	21	44.7 Å²	44.7	13%	0.129	24%	0.238	C	C	.	.	H	α-helix	trans	-48.3	-45.6	-179.5	-54.9	0	0	0	0	113.2	A187 D231 L235 K236 A237	A187-T233 HydrophobicContact CB-CG2 3.95Å; D231-T233 WeakPolarHBondContact OD1-CB 3.35Å; D231-T233 PolarHBondContact OD1-N 2.94Å; D231-T233 VanDerWaalsContact OD1-N 3.16Å; D231-T233 PolarHBondContact OD1-OG1 3.28Å; T233-L235 VanDerWaalsContact C-N 3.27Å; T233-L235 PolarHBondContact O-N 3.03Å; T233-K236 PolarHBondContact O-N 3.34Å; T233-A237 WeakPolarHBondContact O-CB 3.17Å; T233-A237 PolarHBondContact O-N 3.35Å
234	P	92.9	Very high	90	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-33.8	-178.4	-24.2	37.2	0	0	0	113.2	L190 I221 A224 D232 L238	L190-P234 HydrophobicContact CD1-CB 3.71Å; L190-P234 HydrophobicContact CD1-CG 4.28Å; I221-P234 HydrophobicContact CB-CB 4.35Å; I221-P234 HydrophobicContact CG1-CB 3.83Å; I221-P234 HydrophobicContact CG2-CB 4.37Å; A224-P234 HydrophobicContact CB-CB 4.29Å; A224-P234 HydrophobicContact CB-CG 3.69Å; D232-P234 VanDerWaalsContact C-N 3.32Å; P234-L238 PolarHBondContact O-N 3.31Å
235	L	94.7	Very high	90.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-80.5	-40.7	178.6	-74.2	170.4	0	0	0	111.4	I221 I225 D232 T233 A237 L238 V239 I263 Q273 L276 A277	I221-L235 HydrophobicContact CG2-CD2 3.96Å; I221-L235 HydrophobicContact CG2-CG 4.41Å; I225-L235 HydrophobicContact CD1-CD1 3.93Å; I225-L235 HydrophobicContact CD1-CD2 4.04Å; I225-L235 HydrophobicContact CD1-CG 4.02Å; I225-L235 HydrophobicContact CG1-CD1 4.37Å; D232-L235 PolarHBondContact O-N 3Å; T233-L235 VanDerWaalsContact C-N 3.27Å; T233-L235 PolarHBondContact O-N 3.03Å; L235-A237 VanDerWaalsContact C-N 3.29Å; L235-A237 PolarHBondContact O-N 3.17Å; L235-L238 CarbonylContact O-C 3.51Å; L235-L238 WeakPolarHBondContact O-CA 3.25Å; L235-L238 WeakPolarHBondContact O-CB 3.35Å; L235-L238 PolarHBondContact O-N 2.89Å; L235-V239 WeakPolarHBondContact O-CG2 3.35Å; L235-V239 PolarHBondContact O-N 2.93Å; L235-I263 HydrophobicContact CD2-CD1 4.25Å; L235-Q273 HydrophobicContact CD1-CB 3.97Å; L235-Q273 HydrophobicContact CD1-CG 4.35Å; L235-Q273 VanDerWaalsContact CD1-O 3.29Å; L235-Q273 WeakPolarHBondContact CD1-O 3.35Å; L235-L276 HydrophobicContact CB-CB 3.78Å; L235-L276 HydrophobicContact CB-CD1 4.06Å; L235-L276 HydrophobicContact CD1-CB 4.11Å; L235-A277 HydrophobicContact CD2-CB 4.4Å
236	K	93	Very high	90.3	Very high	70 Å²	70	45.8 Å²	45.8	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-53.7	-46.8	171.6	-75.2	177.1	166.8	166.6	0	111.4	D232 T233 L238 V239 D240 L276 D648	D232-K236 PolarHBondContact O-N 3.18Å; D232-K236 IonicContact OD1-NZ 3Å; D232-K236 WeakPolarHBondContact OD2-CE 3.42Å; D232-K236 IonicContact OD2-NZ 2.82Å; D232-K236 PolarHBondContact OD2-NZ 3.2Å; T233-K236 PolarHBondContact O-N 3.34Å; K236-L238 VanDerWaalsContact C-N 3.26Å; K236-L238 PolarHBondContact O-N 3.29Å; K236-V239 WeakPolarHBondContact O-CB 3.22Å; K236-V239 PolarHBondContact O-N 3.38Å; K236-V239 VanDerWaalsContact O-N 3.11Å; K236-D240 PolarHBondContact O-N 3.26Å; K236-L276 HydrophobicContact CG-CD1 4.06Å; K236-L276 HydrophobicContact CG-CD2 4.11Å; K236-D648 IonicContact NZ-OD2 3.37Å; K236-D648 PolarHBondContact NZ-OD2 3.4Å
237	A	93.5	Very high	90.5	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-33	175.2	0	0	0	0	0	113.1	L190 A194 T233 L235 I241	L190-A237 HydrophobicContact CB-CB 4.34Å; A194-A237 HydrophobicContact CB-CB 3.98Å; A194-A237 WeakPolarHBondContact CB-O 3.48Å; T233-A237 WeakPolarHBondContact O-CB 3.17Å; T233-A237 PolarHBondContact O-N 3.35Å; L235-A237 VanDerWaalsContact C-N 3.29Å; L235-A237 PolarHBondContact O-N 3.17Å; A237-I241 VanDerWaalsContact O-CG1 3.27Å; A237-I241 WeakPolarHBondContact O-CG1 3.45Å; A237-I241 PolarHBondContact O-N 2.8Å
238	L	96.6	Very high	91	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-74.4	-34.8	176.1	-174.3	60.3	0	0	0	112	L218 I221 P234 L235 K236 I241 A242 L249 T256 V280	L218-L238 HydrophobicContact CD2-CD1 4.35Å; L218-L238 HydrophobicContact CD2-CD2 4.28Å; I221-L238 HydrophobicContact CD1-CB 4Å; I221-L238 HydrophobicContact CD1-CD1 4.46Å; I221-L238 HydrophobicContact CD1-CD2 4Å; I221-L238 HydrophobicContact CD1-CG 4.38Å; P234-L238 PolarHBondContact O-N 3.31Å; L235-L238 CarbonylContact O-C 3.51Å; L235-L238 WeakPolarHBondContact O-CA 3.25Å; L235-L238 WeakPolarHBondContact O-CB 3.35Å; L235-L238 PolarHBondContact O-N 2.89Å; K236-L238 VanDerWaalsContact C-N 3.26Å; K236-L238 PolarHBondContact O-N 3.29Å; L238-I241 PolarHBondContact O-N 3Å; L238-A242 VanDerWaalsContact O-CB 3.3Å; L238-A242 WeakPolarHBondContact O-CB 3.15Å; L238-A242 PolarHBondContact O-N 3.17Å; L238-L249 HydrophobicContact CD1-CD1 4Å; L238-L249 HydrophobicContact CD1-CD2 4.18Å; L238-T256 HydrophobicContact CD1-CG2 4.37Å; L238-T256 HydrophobicContact CD2-CG2 4.28Å; L238-V280 HydrophobicContact CB-CG2 4.1Å; L238-V280 HydrophobicContact CD2-CG1 3.95Å; L238-V280 HydrophobicContact CD2-CG2 4.03Å; L238-V280 HydrophobicContact CG-CG1 3.91Å; L238-V280 HydrophobicContact CG-CG2 3.82Å
239	V	96.1	Very high	91.5	Very high	24 Å²	24	36.7 Å²	36.7	15%	0.145	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-49.2	171.6	174.5	0	0	0	0	109.8	L235 K236 I241 A242 D243 L276 E279 V280	L235-V239 WeakPolarHBondContact O-CG2 3.35Å; L235-V239 PolarHBondContact O-N 2.93Å; K236-V239 WeakPolarHBondContact O-CB 3.22Å; K236-V239 PolarHBondContact O-N 3.38Å; K236-V239 VanDerWaalsContact O-N 3.11Å; V239-I241 VanDerWaalsContact C-N 3.26Å; V239-I241 PolarHBondContact O-N 2.93Å; V239-A242 CarbonylContact O-C 3.6Å; V239-A242 WeakPolarHBondContact O-CA 3.46Å; V239-A242 WeakPolarHBondContact O-CB 3.46Å; V239-A242 PolarHBondContact O-N 3.25Å; V239-D243 PolarHBondContact O-N 3.39Å; V239-L276 HydrophobicContact CG2-CD2 4.25Å; V239-E279 HydrophobicContact CG1-CG 4.01Å; V239-E279 HydrophobicContact CG2-CB 4.19Å; V239-E279 HydrophobicContact CG2-CG 4.1Å; V239-V280 HydrophobicContact CB-CG2 4.39Å; V239-V280 HydrophobicContact CG2-CG2 3.52Å
240	D	92.9	Very high	92.2	Very high	51 Å²	51	37.2 Å²	37.2	27%	0.273	19%	0.186	S	C	.	.	H	α-helix	trans	-58	-38.8	179.1	-62.3	-31.9	0	0	0	112.2	A194 V198 K236 A244 K660	A194-D240 HydrophobicContact CB-CB 4.45Å; V198-D240 HydrophobicContact CG2-CB 4.48Å; V198-D240 WeakPolarHBondContact CG2-O 3.24Å; K236-D240 PolarHBondContact O-N 3.26Å; D240-A244 PolarHBondContact O-N 2.89Å; D240-A244 VanDerWaalsContact O-N 3.12Å; D240-K660 IonicContact OD1-NZ 3.53Å
241	I	96.2	Very high	92.8	Very high	10 Å²	10	33 Å²	33	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-70	-42.1	174.9	-63.8	169.2	0	0	0	111.1	A194 A237 L238 V239 D243 A245 H246 Y248 L249	A194-I241 HydrophobicContact CB-CD1 3.91Å; A194-I241 HydrophobicContact CB-CG1 3.67Å; A237-I241 VanDerWaalsContact O-CG1 3.27Å; A237-I241 WeakPolarHBondContact O-CG1 3.45Å; A237-I241 PolarHBondContact O-N 2.8Å; L238-I241 PolarHBondContact O-N 3Å; V239-I241 VanDerWaalsContact C-N 3.26Å; V239-I241 PolarHBondContact O-N 2.93Å; I241-D243 VanDerWaalsContact C-N 3.26Å; I241-D243 PolarHBondContact O-N 3Å; I241-A245 HydrophobicContact CG2-CB 4.2Å; I241-A245 CarbonylContact O-C 3.58Å; I241-A245 VanDerWaalsContact O-CA 3.26Å; I241-A245 WeakPolarHBondContact O-CA 3.38Å; I241-A245 PolarHBondContact O-N 3.4Å; I241-H246 PolarHBondContact O-N 3.24Å; I241-Y248 HydrophobicContact CG2-CD1 3.94Å; I241-L249 HydrophobicContact CB-CD1 4.36Å; I241-L249 HydrophobicContact CG2-CD1 3.69Å; I241-L249 HydrophobicContact CG2-CD2 4.07Å; I241-L249 HydrophobicContact CG2-CG 3.63Å
242	A	96.7	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-31.7	179.4	0	0	0	0	0	112.7	L238 V239 H246 L249 V280 T283 L284 N287	L238-A242 VanDerWaalsContact O-CB 3.3Å; L238-A242 WeakPolarHBondContact O-CB 3.15Å; L238-A242 PolarHBondContact O-N 3.17Å; V239-A242 CarbonylContact O-C 3.6Å; V239-A242 WeakPolarHBondContact O-CA 3.46Å; V239-A242 WeakPolarHBondContact O-CB 3.46Å; V239-A242 PolarHBondContact O-N 3.25Å; A242-H246 WeakPolarHBondContact O-CB 3.2Å; A242-L249 HydrophobicContact CB-CD1 4.25Å; A242-V280 HydrophobicContact CB-CG1 4.23Å; A242-T283 HydrophobicContact CB-CG2 4.16Å; A242-L284 HydrophobicContact CB-CD2 3.93Å; A242-L284 HydrophobicContact CB-CG 3.81Å; A242-N287 PolarHBondContact O-ND2 2.88Å
243	D	94.2	Very high	93.7	Very high	92 Å²	92	33 Å²	33	49%	0.492	17%	0.171	S	C	.	.	H	α-helix	trans	-77.4	-70.1	177.3	-172.2	34.4	0	0	0	110.7	V239 I241 H246 T283 N287	V239-D243 PolarHBondContact O-N 3.39Å; I241-D243 VanDerWaalsContact C-N 3.26Å; I241-D243 PolarHBondContact O-N 3Å; D243-H246 PolarHBondContact O-ND1 3.04Å; D243-T283 VanDerWaalsContact CA-CG2 3.42Å; D243-T283 HydrophobicContact CB-CG2 3.67Å; D243-N287 PolarHBondContact O-OD1 2.95Å
244	A	91.2	Very high	94	Very high	42 Å²	42	34 Å²	34	35%	0.347	18%	0.181	S	C	.	.	H	α-helix	trans	-88	-27.4	-168.8	0	0	0	0	0	114.3	V198 A201 D240	V198-A244 HydrophobicContact CB-CB 4.33Å; V198-A244 HydrophobicContact CG1-CB 3.71Å; V198-A244 HydrophobicContact CG2-CB 4.02Å; A201-A244 WeakPolarHBondContact CB-O 3.37Å; D240-A244 PolarHBondContact O-N 2.89Å; D240-A244 VanDerWaalsContact O-N 3.12Å
245	A	93.2	Very high	94.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	29.1	-174.4	0	0	0	0	0	113.7	V198 A201 I241 K247 Y248	V198-A245 HydrophobicContact CG2-CB 4.3Å; A201-A245 HydrophobicContact CB-CB 4.43Å; I241-A245 HydrophobicContact CG2-CB 4.2Å; I241-A245 CarbonylContact O-C 3.58Å; I241-A245 VanDerWaalsContact O-CA 3.26Å; I241-A245 WeakPolarHBondContact O-CA 3.38Å; I241-A245 PolarHBondContact O-N 3.4Å; A245-K247 PolarHBondContact O-N 2.89Å; A245-Y248 WeakPolarHBondContact O-CB 3.43Å; A245-Y248 PolarHBondContact O-N 3.03Å
246	H	93.6	Very high	94.3	Very high	43 Å²	43	36.8 Å²	36.8	20%	0.199	20%	0.199	C	C	.	.	H	α-helix	trans	-51.5	-33.7	-173.1	56.3	-96.5	0	0	0	114.5	I241 A242 D243 Y248 L249 R250 L284 N287 I288	I241-H246 PolarHBondContact O-N 3.24Å; A242-H246 WeakPolarHBondContact O-CB 3.2Å; D243-H246 PolarHBondContact O-ND1 3.04Å; H246-Y248 PolarHBondContact O-N 3.45Å; H246-Y248 VanDerWaalsContact O-N 3.14Å; H246-L249 PolarHBondContact O-N 3.26Å; H246-R250 PolarHBondContact O-N 2.86Å; H246-R250 VanDerWaalsContact O-N 3.13Å; H246-L284 HydrophobicContact CB-CD2 4.39Å; H246-N287 HydrophobicContact CB-CB 3.84Å; H246-N287 PolarHBondContact ND1-OD1 2.94Å; H246-I288 HydrophobicContact CB-CD1 3.9Å; H246-I288 HydrophobicContact CB-CG1 3.84Å; H246-I288 WeakPolarHBondContact O-CD1 3.05Å
247	K	90.7	Very high	94.6	Very high	101 Å²	101	33.5 Å²	33.5	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-55.3	-31.3	174.3	-66.7	179.8	-176.9	173.4	0	113.1	L207 A245 L249 R250	L207-K247 HydrophobicContact CD1-CB 4.18Å; A245-K247 PolarHBondContact O-N 2.89Å; K247-L249 VanDerWaalsContact C-N 3.34Å; K247-R250 WeakPolarHBondContact O-CB 3.26Å; K247-R250 PolarHBondContact O-N 3.15Å
248	Y	94.8	Very high	94.7	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-36.6	176	-177	-123	0	0	0	112.4	T197 L207 L210 L213 V214 I241 A245 H246	T197-Y248 HydrophobicContact CG2-CD1 3.86Å; T197-Y248 HydrophobicContact CG2-CD2 4.38Å; T197-Y248 HydrophobicContact CG2-CE1 3.85Å; T197-Y248 HydrophobicContact CG2-CE2 4.37Å; T197-Y248 HydrophobicContact CG2-CG 4.14Å; L207-Y248 HydrophobicContact CB-CD2 4.18Å; L207-Y248 HydrophobicContact CD2-CD2 4.38Å; L210-Y248 HydrophobicContact CB-CE2 3.95Å; L210-Y248 PolarHBondContact O-OH 3.5Å; L213-Y248 WeakPolarHBondContact CB-OH 3.38Å; V214-Y248 HydrophobicContact CG2-CD1 3.91Å; V214-Y248 HydrophobicContact CG2-CD2 4.28Å; V214-Y248 HydrophobicContact CG2-CE1 3.4Å; V214-Y248 HydrophobicContact CG2-CE2 3.81Å; V214-Y248 HydrophobicContact CG2-CG 4.32Å; I241-Y248 HydrophobicContact CG2-CD1 3.94Å; A245-Y248 WeakPolarHBondContact O-CB 3.43Å; A245-Y248 PolarHBondContact O-N 3.03Å; H246-Y248 PolarHBondContact O-N 3.45Å; H246-Y248 VanDerWaalsContact O-N 3.14Å
249	L	95.2	Very high	94.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-82.7	-19.9	178.7	-65.2	175.6	0	0	0	112.8	V214 L238 I241 A242 H246 K247 P251 Y252 L253 T256 L284	V214-L249 HydrophobicContact CG1-CD2 3.87Å; L238-L249 HydrophobicContact CD1-CD1 4Å; L238-L249 HydrophobicContact CD1-CD2 4.18Å; I241-L249 HydrophobicContact CB-CD1 4.36Å; I241-L249 HydrophobicContact CG2-CD1 3.69Å; I241-L249 HydrophobicContact CG2-CD2 4.07Å; I241-L249 HydrophobicContact CG2-CG 3.63Å; A242-L249 HydrophobicContact CB-CD1 4.25Å; H246-L249 PolarHBondContact O-N 3.26Å; K247-L249 VanDerWaalsContact C-N 3.34Å; L249-P251 VanDerWaalsContact C-CD 3.46Å; L249-Y252 CarbonylContact O-C 3.47Å; L249-Y252 WeakPolarHBondContact O-CA 3.22Å; L249-Y252 PolarHBondContact O-N 3.42Å; L249-L253 PolarHBondContact O-N 3.23Å; L249-T256 HydrophobicContact CD1-CG2 4.49Å; L249-L284 HydrophobicContact CB-CD2 4.49Å; L249-L284 HydrophobicContact CD1-CD2 4.04Å
250	R	90.3	Very high	94.9	Very high	68 Å²	68	39.2 Å²	39.2	26%	0.257	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-48.5	-44.3	-175.1	-171.1	171.3	173.6	-158.8	-10.5	115	H246 K247 Y252 L253 I288 E817 D818	H246-R250 PolarHBondContact O-N 2.86Å; H246-R250 VanDerWaalsContact O-N 3.13Å; K247-R250 WeakPolarHBondContact O-CB 3.26Å; K247-R250 PolarHBondContact O-N 3.15Å; R250-Y252 PolarHBondContact O-N 2.92Å; R250-L253 WeakPolarHBondContact O-CB 3.21Å; R250-L253 PolarHBondContact O-N 3.37Å; R250-I288 HydrophobicContact CB-CD1 4.15Å; R250-E817 IonicContact CZ-OE1 3.88Å; R250-E817 IonicContact NH1-OE1 3.16Å; R250-E817 IonicContact NH2-OE1 3.95Å; R250-E817 PolarHBondContact NH2-OE1 3.08Å; R250-D818 IonicContact CZ-OD1 3.41Å; R250-D818 IonicContact CZ-OD2 3.93Å; R250-D818 IonicContact NE-OD1 2.98Å; R250-D818 IonicContact NE-OD2 3.32Å; R250-D818 PolarHBondContact NE-OD2 3.25Å; R250-D818 IonicContact NH1-OD2 2.57Å; R250-D818 PolarHBondContact NH1-OD2 2.96Å; R250-D818 IonicContact NH2-OD1 3.96Å; R250-D818 PolarHBondContact NH2-OD1 3.35Å; R250-D818 IonicContact NH2-OD2 3.21Å; R250-D818 PolarHBondContact NH2-OD2 3.32Å
251	P	92.3	Very high	95.1	Very high	83 Å²	83	39.3 Å²	39.3	54%	0.539	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-66	-20.2	177	-20.2	34	0	0	0	114.2	L249	L249-P251 VanDerWaalsContact C-CD 3.46Å
252	Y	95.6	Very high	95.1	Very high	49 Å²	49	45.7 Å²	45.7	19%	0.192	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-119.2	20.5	-177.8	-60.5	-80.7	0	0	0	112.1	R211 V214 P215 L249 R250 A254 P255 T256	R211-Y252 WeakPolarHBondContact O-CE2 3.44Å; V214-Y252 HydrophobicContact CB-CD2 3.57Å; V214-Y252 HydrophobicContact CB-CE2 3.94Å; V214-Y252 HydrophobicContact CB-CG 4.12Å; V214-Y252 HydrophobicContact CG1-CD2 3.72Å; V214-Y252 HydrophobicContact CG1-CG 3.84Å; V214-Y252 HydrophobicContact CG2-CD2 3.94Å; V214-Y252 HydrophobicContact CG2-CE2 4.27Å; P215-Y252 HydrophobicContact CG-CD1 3.99Å; P215-Y252 HydrophobicContact CG-CE1 3.45Å; P215-Y252 VanDerWaalsContact CG-CE1 3.45Å; P215-Y252 HydrophobicContact CG-CE2 4.43Å; L249-Y252 CarbonylContact O-C 3.47Å; L249-Y252 WeakPolarHBondContact O-CA 3.22Å; L249-Y252 PolarHBondContact O-N 3.42Å; R250-Y252 PolarHBondContact O-N 2.92Å; Y252-A254 PolarHBondContact O-N 2.93Å; Y252-P255 WeakPolarHBondContact O-CD 3.36Å; Y252-T256 PolarHBondContact O-N 2.8Å; Y252-T256 PolarHBondContact O-OG1 3.37Å
253	L	95.2	Very high	95.1	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-55.6	-48.9	-174.6	179.9	60.3	0	0	0	111.9	L249 R250 T256 L257 L284 I288 V292	L249-L253 PolarHBondContact O-N 3.23Å; R250-L253 WeakPolarHBondContact O-CB 3.21Å; R250-L253 PolarHBondContact O-N 3.37Å; L253-T256 PolarHBondContact O-N 3.09Å; L253-L257 HydrophobicContact CD1-CD1 4.05Å; L253-L257 HydrophobicContact CD1-CD2 4.41Å; L253-L257 HydrophobicContact CD1-CG 4.02Å; L253-L257 HydrophobicContact CG-CD1 3.92Å; L253-L257 HydrophobicContact CG-CG 4.32Å; L253-L257 VanDerWaalsContact O-CG 3.27Å; L253-L257 WeakPolarHBondContact O-CG 3.5Å; L253-L257 PolarHBondContact O-N 2.65Å; L253-L284 HydrophobicContact CD1-CB 4.3Å; L253-L284 HydrophobicContact CD1-CD1 3.87Å; L253-L284 HydrophobicContact CD1-CD2 4.24Å; L253-L284 HydrophobicContact CD1-CG 4.37Å; L253-I288 HydrophobicContact CD2-CG2 4.36Å; L253-V292 HydrophobicContact CD1-CG2 4.35Å; L253-V292 HydrophobicContact CD2-CG2 4.27Å
254	A	95.4	Very high	95.2	Very high	43 Å²	43	41.8 Å²	41.8	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-60.4	-51.4	179.2	0	0	0	0	0	112.8	Y252 T256 L257 E258	Y252-A254 PolarHBondContact O-N 2.93Å; A254-T256 VanDerWaalsContact C-N 3.29Å; A254-T256 PolarHBondContact O-N 3.18Å; A254-L257 PolarHBondContact O-N 3.37Å; A254-E258 WeakPolarHBondContact O-CB 3.35Å; A254-E258 WeakPolarHBondContact O-CG 3.39Å; A254-E258 PolarHBondContact O-N 2.69Å
255	P	96.6	Very high	95.4	Very high	62 Å²	62	42.5 Å²	42.5	40%	0.403	22%	0.215	S	C	.	.	H	α-helix	trans	-54.1	-39.6	171.5	-28.6	31.8	0	0	0	114.9	L218 Y252 L259	L218-P255 HydrophobicContact CD1-CB 4.29Å; Y252-P255 WeakPolarHBondContact O-CD 3.36Å; P255-L259 WeakPolarHBondContact O-CB 3.21Å; P255-L259 PolarHBondContact O-N 3.49Å
256	T	97.9	Very high	95.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-50.1	177.6	-56.3	0	0	0	0	110.9	L218 L238 L249 Y252 L253 A254 E258 L259 C260 V280 L284	L218-T256 HydrophobicContact CD2-CG2 4.21Å; L238-T256 HydrophobicContact CD1-CG2 4.37Å; L238-T256 HydrophobicContact CD2-CG2 4.28Å; L249-T256 HydrophobicContact CD1-CG2 4.49Å; Y252-T256 PolarHBondContact O-N 2.8Å; Y252-T256 PolarHBondContact O-OG1 3.37Å; L253-T256 PolarHBondContact O-N 3.09Å; A254-T256 VanDerWaalsContact C-N 3.29Å; A254-T256 PolarHBondContact O-N 3.18Å; T256-E258 VanDerWaalsContact C-N 3.34Å; T256-E258 PolarHBondContact O-N 3.3Å; T256-L259 PolarHBondContact O-N 2.9Å; T256-C260 PolarHBondContact O-N 3.09Å; T256-C260 PolarHBondContact O-SG 3.42Å; T256-V280 HydrophobicContact CG2-CG1 4.18Å; T256-L284 HydrophobicContact CG2-CD1 3.9Å
257	L	98.1	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-42.7	177.6	-66.1	173	0	0	0	111.7	L253 A254 C260 Y261 I281 L284 V292 L298	L253-L257 HydrophobicContact CD1-CD1 4.05Å; L253-L257 HydrophobicContact CD1-CD2 4.41Å; L253-L257 HydrophobicContact CD1-CG 4.02Å; L253-L257 HydrophobicContact CG-CD1 3.92Å; L253-L257 HydrophobicContact CG-CG 4.32Å; L253-L257 VanDerWaalsContact O-CG 3.27Å; L253-L257 WeakPolarHBondContact O-CG 3.5Å; L253-L257 PolarHBondContact O-N 2.65Å; A254-L257 PolarHBondContact O-N 3.37Å; L257-C260 PolarHBondContact O-N 2.56Å; L257-Y261 VanDerWaalsContact O-CB 3.23Å; L257-Y261 WeakPolarHBondContact O-CB 3.29Å; L257-Y261 PolarHBondContact O-N 2.9Å; L257-I281 HydrophobicContact CD2-CB 4.3Å; L257-I281 HydrophobicContact CD2-CG1 4.15Å; L257-I281 HydrophobicContact CD2-CG2 3.9Å; L257-L284 HydrophobicContact CD2-CD1 4.18Å; L257-V292 HydrophobicContact CD1-CG1 4.42Å; L257-V292 HydrophobicContact CD1-CG2 4.29Å; L257-L298 HydrophobicContact CB-CD1 3.78Å; L257-L298 HydrophobicContact CB-CD2 4.39Å
258	E	97.1	Very high	95.3	Very high	128 Å²	128	54.8 Å²	54.8	60%	0.598	28%	0.276	S	S	*	.	H	α-helix	trans	-63.8	-41.3	178.1	-75.6	177.1	-173.2	0	0	112.5	A254 T256 K262 L298	A254-E258 WeakPolarHBondContact O-CB 3.35Å; A254-E258 WeakPolarHBondContact O-CG 3.39Å; A254-E258 PolarHBondContact O-N 2.69Å; T256-E258 VanDerWaalsContact C-N 3.34Å; T256-E258 PolarHBondContact O-N 3.3Å; E258-K262 VanDerWaalsContact O-CB 3.31Å; E258-K262 WeakPolarHBondContact O-CB 3.28Å; E258-K262 PolarHBondContact O-N 3.13Å; E258-L298 HydrophobicContact CG-CD1 4.37Å
259	L	97.1	Very high	95.1	Very high	27 Å²	27	55.6 Å²	55.6	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-52.6	176	174	60.6	0	0	0	110.6	L218 I221 A222 P255 T256 Y261 K262 I263	L218-L259 HydrophobicContact CB-CD2 3.99Å; L218-L259 HydrophobicContact CD2-CD2 3.99Å; L218-L259 WeakPolarHBondContact O-CD2 3.27Å; I221-L259 HydrophobicContact CG2-CD2 4.45Å; A222-L259 HydrophobicContact CB-CD1 3.75Å; A222-L259 HydrophobicContact CB-CD2 4.45Å; P255-L259 WeakPolarHBondContact O-CB 3.21Å; P255-L259 PolarHBondContact O-N 3.49Å; T256-L259 PolarHBondContact O-N 2.9Å; L259-Y261 VanDerWaalsContact C-N 3.34Å; L259-Y261 PolarHBondContact O-N 3.05Å; L259-K262 WeakPolarHBondContact O-CB 3.3Å; L259-K262 PolarHBondContact O-N 3.33Å; L259-I263 HydrophobicContact CD1-CD1 3.87Å; L259-I263 HydrophobicContact CD1-CG1 4.31Å; L259-I263 HydrophobicContact CG-CD1 3.81Å; L259-I263 WeakPolarHBondContact O-CD1 3.45Å; L259-I263 WeakPolarHBondContact O-CG1 3.14Å; L259-I263 PolarHBondContact O-N 2.88Å
260	C	98	Very high	94.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-42.7	-179.1	-69.4	0	0	0	0	111.8	T256 L257 K262 I263 L264 A277 V280 I281	T256-C260 PolarHBondContact O-N 3.09Å; T256-C260 PolarHBondContact O-SG 3.42Å; L257-C260 PolarHBondContact O-N 2.56Å; C260-K262 VanDerWaalsContact C-N 3.3Å; C260-K262 PolarHBondContact O-N 2.83Å; C260-I263 PolarHBondContact O-N 3.41Å; C260-I263 VanDerWaalsContact O-N 3.16Å; C260-L264 PolarHBondContact O-N 3.03Å; C260-A277 HydrophobicContact CB-CB 4.25Å; C260-A277 WeakPolarHBondContact CB-O 3.48Å; C260-V280 VanDerWaalsContact SG-CG1 3.58Å; C260-I281 HydrophobicContact CB-CD1 3.84Å; C260-I281 HydrophobicContact CB-CG1 3.66Å
261	Y	97.9	Very high	94.7	Very high	52 Å²	52	61.7 Å²	61.7	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-37.4	177.4	-176.9	-116.3	0	0	0	112	L257 L259 L264 C265 L298 S301 L302 T305	L257-Y261 VanDerWaalsContact O-CB 3.23Å; L257-Y261 WeakPolarHBondContact O-CB 3.29Å; L257-Y261 PolarHBondContact O-N 2.9Å; L259-Y261 VanDerWaalsContact C-N 3.34Å; L259-Y261 PolarHBondContact O-N 3.05Å; Y261-L264 HydrophobicContact CD2-CD2 4.42Å; Y261-L264 PolarHBondContact O-N 3.27Å; Y261-C265 VanDerWaalsContact CE2-SG 3.53Å; Y261-C265 WeakPolarHBondContact O-CB 3.33Å; Y261-C265 PolarHBondContact O-N 3.06Å; Y261-C265 VanDerWaalsContact O-N 3.07Å; Y261-C265 PolarHBondContact O-SG 3.22Å; Y261-L298 HydrophobicContact CG-CG 4.42Å; Y261-S301 VanDerWaalsContact OH-CB 3.29Å; Y261-S301 WeakPolarHBondContact OH-CB 3.47Å; Y261-S301 PolarHBondContact OH-O 3.28Å; Y261-S301 VanDerWaalsContact OH-O 3.12Å; Y261-L302 HydrophobicContact CD2-CB 4.38Å; Y261-L302 HydrophobicContact CD2-CD1 4.13Å; Y261-L302 HydrophobicContact CE2-CB 4.21Å; Y261-L302 HydrophobicContact CE2-CD1 4.25Å; Y261-T305 WeakPolarHBondContact CE2-OG1 3.35Å; Y261-T305 PolarHBondContact OH-OG1 3.45Å
262	K	96.6	Very high	94.6	Very high	145 Å²	145	61.5 Å²	61.5	63%	0.63	31%	0.309	S	S	*	.	H	α-helix	trans	-65.4	-39	174.8	-177.7	-176.3	175.1	-171.5	0	112.3	E258 L259 C260 N266	E258-K262 VanDerWaalsContact O-CB 3.31Å; E258-K262 WeakPolarHBondContact O-CB 3.28Å; E258-K262 PolarHBondContact O-N 3.13Å; L259-K262 WeakPolarHBondContact O-CB 3.3Å; L259-K262 PolarHBondContact O-N 3.33Å; C260-K262 VanDerWaalsContact C-N 3.3Å; C260-K262 PolarHBondContact O-N 2.83Å; K262-N266 PolarHBondContact O-N 3.37Å
263	I	95.8	Very high	94.4	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.051	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-49.6	176.2	-66.7	156.2	0	0	0	109.5	I225 L235 L259 C260 C265 N266 L269 A277	I225-I263 HydrophobicContact CD1-CD1 3.24Å; I225-I263 HydrophobicContact CD1-CG1 3.73Å; I225-I263 HydrophobicContact CD1-CG2 4.18Å; L235-I263 HydrophobicContact CD2-CD1 4.25Å; L259-I263 HydrophobicContact CD1-CD1 3.87Å; L259-I263 HydrophobicContact CD1-CG1 4.31Å; L259-I263 HydrophobicContact CG-CD1 3.81Å; L259-I263 WeakPolarHBondContact O-CD1 3.45Å; L259-I263 WeakPolarHBondContact O-CG1 3.14Å; L259-I263 PolarHBondContact O-N 2.88Å; C260-I263 PolarHBondContact O-N 3.41Å; C260-I263 VanDerWaalsContact O-N 3.16Å; I263-C265 VanDerWaalsContact C-N 3.28Å; I263-C265 PolarHBondContact O-N 3.34Å; I263-N266 PolarHBondContact O-N 3.49Å; I263-L269 HydrophobicContact CG2-CD1 3.8Å; I263-A277 HydrophobicContact CB-CB 3.79Å; I263-A277 HydrophobicContact CD1-CB 4.48Å; I263-A277 HydrophobicContact CG2-CB 3.58Å
264	L	96.4	Very high	94.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-54.1	-42.5	177.7	177	61.5	0	0	0	112.9	C260 Y261 N266 R274 L278 L302 T305 M309	C260-L264 PolarHBondContact O-N 3.03Å; Y261-L264 HydrophobicContact CD2-CD2 4.42Å; Y261-L264 PolarHBondContact O-N 3.27Å; L264-N266 VanDerWaalsContact C-N 3.26Å; L264-N266 PolarHBondContact O-N 3.18Å; L264-R274 HydrophobicContact CD1-CB 4.22Å; L264-R274 PolarHBondContact O-NE 3.13Å; L264-R274 VanDerWaalsContact O-NE 3.13Å; L264-L278 HydrophobicContact CD1-CB 4.09Å; L264-L278 HydrophobicContact CD2-CB 4.32Å; L264-L278 HydrophobicContact CD2-CD1 4.06Å; L264-L302 HydrophobicContact CD2-CD1 3.45Å; L264-L302 VanDerWaalsContact CD2-CD1 3.45Å; L264-T305 HydrophobicContact CD2-CG2 4.18Å; L264-T305 HydrophobicContact CG-CG2 4.19Å; L264-M309 HydrophobicContact CD1-CE 4.13Å; L264-M309 HydrophobicContact CD1-SD 3.75Å
265	C	95.5	Very high	94.4	Very high	57 Å²	57	58.8 Å²	58.8	39%	0.385	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.6	-178.7	-66.1	0	0	0	0	114.5	Y261 I263 E267	Y261-C265 VanDerWaalsContact CE2-SG 3.53Å; Y261-C265 WeakPolarHBondContact O-CB 3.33Å; Y261-C265 PolarHBondContact O-N 3.06Å; Y261-C265 VanDerWaalsContact O-N 3.07Å; Y261-C265 PolarHBondContact O-SG 3.22Å; I263-C265 VanDerWaalsContact C-N 3.28Å; I263-C265 PolarHBondContact O-N 3.34Å; C265-E267 PolarHBondContact O-N 3.3Å
266	N	94	Very high	94.3	Very high	60 Å²	60	57.1 Å²	57.1	32%	0.321	28%	0.277	S	S	.	.			trans	-91.3	94.7	-179.9	-171.8	7.6	0	0	0	110.9	K262 I263 L264 E268 L269	K262-N266 PolarHBondContact O-N 3.37Å; I263-N266 PolarHBondContact O-N 3.49Å; L264-N266 VanDerWaalsContact C-N 3.26Å; L264-N266 PolarHBondContact O-N 3.18Å; N266-E268 PolarHBondContact O-N 2.87Å; N266-E268 VanDerWaalsContact O-N 3.08Å; N266-E268 WeakPolarHBondContact OD1-CB 3.48Å; N266-E268 PolarHBondContact OD1-N 2.76Å; N266-L269 HydrophobicContact CB-CD1 3.89Å; N266-L269 HydrophobicContact CB-CG 4.03Å; N266-L269 PolarHBondContact O-N 3.37Å; N266-L269 VanDerWaalsContact O-N 3.09Å
267	E	90.2	Very high	94.2	Very high	162 Å²	162	57.1 Å²	57.1	76%	0.757	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-7.7	178.3	-63.8	175.5	-167	0	0	114.2	C265 L269	C265-E267 PolarHBondContact O-N 3.3Å; E267-L269 VanDerWaalsContact C-N 3.34Å
268	E	90.5	Very high	94.2	Very high	180 Å²	180	57.2 Å²	57.2	84%	0.841	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.1	173.1	-60.4	-173.7	165.1	0	0	113.4	N266	N266-E268 PolarHBondContact O-N 2.87Å; N266-E268 VanDerWaalsContact O-N 3.08Å; N266-E268 WeakPolarHBondContact OD1-CB 3.48Å; N266-E268 PolarHBondContact OD1-N 2.76Å
269	L	91	Very high	94.2	Very high	24 Å²	24	53.9 Å²	53.9	13%	0.126	26%	0.262	C	S	.	.	S	Bend	trans	-90.7	155	178.7	-61	177.2	0	0	0	111.8	I225 I263 N266 E267 R274	I225-L269 HydrophobicContact CG2-CD1 3.46Å; I225-L269 VanDerWaalsContact CG2-CD1 3.46Å; I225-L269 HydrophobicContact CG2-CD2 3.76Å; I225-L269 HydrophobicContact CG2-CG 4.27Å; I263-L269 HydrophobicContact CG2-CD1 3.8Å; N266-L269 HydrophobicContact CB-CD1 3.89Å; N266-L269 HydrophobicContact CB-CG 4.03Å; N266-L269 PolarHBondContact O-N 3.37Å; N266-L269 VanDerWaalsContact O-N 3.09Å; E267-L269 VanDerWaalsContact C-N 3.34Å; L269-R274 HydrophobicContact CB-CG 4.25Å
270	E	88.7	Confident	94.3	Very high	109 Å²	109	52.6 Å²	52.6	51%	0.509	26%	0.256	S	S	.	.			trans	-59.7	146.2	173.5	-67	-63.3	152	0	0	111.4	T272 Q273 R274	E270-T272 VanDerWaalsContact C-N 3.32Å; E270-T272 PolarHBondContact O-N 2.99Å; E270-Q273 PolarHBondContact O-N 3.49Å; E270-Q273 VanDerWaalsContact O-N 3.14Å; E270-R274 PolarHBondContact O-N 2.9Å
271	E	89.4	Confident	94.3	Very high	90 Å²	90	52.7 Å²	52.7	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-42.6	-175.9	-65.7	-174.2	150.5	0	0	111.7	Q273 R274 H275 N333	E271-Q273 VanDerWaalsContact C-N 3.29Å; E271-Q273 PolarHBondContact O-N 2.93Å; E271-R274 CarbonylContact O-C 3.59Å; E271-R274 WeakPolarHBondContact O-CA 3.46Å; E271-R274 WeakPolarHBondContact O-CB 3.35Å; E271-R274 PolarHBondContact O-N 3.35Å; E271-H275 PolarHBondContact O-CD2 3.1Å; E271-H275 PolarHBondContact O-N 2.59Å; E271-N333 PolarHBondContact OE1-ND2 2.81Å
272	T	89.5	Confident	94.3	Very high	79 Å²	79	50.2 Å²	50.2	49%	0.485	25%	0.246	S	C	.	.	H	α-helix	trans	-55.1	-41.3	176.8	-47	0	0	0	0	112.6	E270 H275 L276	E270-T272 VanDerWaalsContact C-N 3.32Å; E270-T272 PolarHBondContact O-N 2.99Å; T272-H275 PolarHBondContact O-N 2.69Å; T272-L276 HydrophobicContact CG2-CD1 4.19Å; T272-L276 WeakPolarHBondContact O-CB 3.41Å; T272-L276 WeakPolarHBondContact O-CG 3.37Å; T272-L276 PolarHBondContact O-N 2.59Å
273	Q	92.2	Very high	94.3	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-69.5	-37.6	177.6	-67.9	-173.1	-27.6	0	0	111.8	D228 S229 D231 L235 E270 E271 A277	D228-Q273 PolarHBondContact O-NE2 3.29Å; S229-Q273 PolarHBondContact O-NE2 3.49Å; D231-Q273 PolarHBondContact O-NE2 3.1Å; L235-Q273 HydrophobicContact CD1-CB 3.97Å; L235-Q273 HydrophobicContact CD1-CG 4.35Å; L235-Q273 VanDerWaalsContact CD1-O 3.29Å; L235-Q273 WeakPolarHBondContact CD1-O 3.35Å; E270-Q273 PolarHBondContact O-N 3.49Å; E270-Q273 VanDerWaalsContact O-N 3.14Å; E271-Q273 VanDerWaalsContact C-N 3.29Å; E271-Q273 PolarHBondContact O-N 2.93Å; Q273-A277 WeakPolarHBondContact O-CB 3.44Å; Q273-A277 PolarHBondContact O-N 2.87Å; Q273-A277 VanDerWaalsContact O-N 3.09Å
274	R	94.5	Very high	94.3	Very high	16 Å²	16	43 Å²	43	6%	0.06	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-43	175.8	-66.7	170.4	61.4	-142.5	-2	110.9	L264 L269 E270 E271 A277 L278 N333	L264-R274 HydrophobicContact CD1-CB 4.22Å; L264-R274 PolarHBondContact O-NE 3.13Å; L264-R274 VanDerWaalsContact O-NE 3.13Å; L269-R274 HydrophobicContact CB-CG 4.25Å; E270-R274 PolarHBondContact O-N 2.9Å; E271-R274 CarbonylContact O-C 3.59Å; E271-R274 WeakPolarHBondContact O-CA 3.46Å; E271-R274 WeakPolarHBondContact O-CB 3.35Å; E271-R274 PolarHBondContact O-N 3.35Å; R274-A277 PolarHBondContact O-N 3.28Å; R274-L278 PolarHBondContact O-N 3.05Å; R274-N333 PolarHBondContact NH1-ND2 3.32Å
275	H	94.6	Very high	94.3	Very high	31 Å²	31	43 Å²	43	14%	0.144	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-46.6	177.2	-63.1	165.5	0	0	0	111.9	E271 T272 A277 L278 E279 S331 N333 T336	E271-H275 PolarHBondContact O-CD2 3.1Å; E271-H275 PolarHBondContact O-N 2.59Å; T272-H275 PolarHBondContact O-N 2.69Å; H275-A277 VanDerWaalsContact C-N 3.3Å; H275-A277 PolarHBondContact O-N 3.11Å; H275-L278 CarbonylContact O-C 3.5Å; H275-L278 WeakPolarHBondContact O-CA 3.46Å; H275-L278 WeakPolarHBondContact O-CB 3.41Å; H275-L278 PolarHBondContact O-N 3.05Å; H275-L278 VanDerWaalsContact O-N 3.1Å; H275-E279 PolarHBondContact O-N 3.08Å; H275-S331 PolarHBondContact CE1-O 3.14Å; H275-N333 PolarHBondContact NE2-OD1 3.44Å; H275-T336 HydrophobicContact CB-CG2 4.18Å
276	L	94.9	Very high	94.2	Very high	27 Å²	27	44 Å²	44	14%	0.141	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-36.2	176.6	-72.9	167	0	0	0	112.4	D232 L235 K236 V239 T272 L278 E279 V280	D232-L276 HydrophobicContact CB-CD1 3.67Å; L235-L276 HydrophobicContact CB-CB 3.78Å; L235-L276 HydrophobicContact CB-CD1 4.06Å; L235-L276 HydrophobicContact CD1-CB 4.11Å; K236-L276 HydrophobicContact CG-CD1 4.06Å; K236-L276 HydrophobicContact CG-CD2 4.11Å; V239-L276 HydrophobicContact CG2-CD2 4.25Å; T272-L276 HydrophobicContact CG2-CD1 4.19Å; T272-L276 WeakPolarHBondContact O-CB 3.41Å; T272-L276 WeakPolarHBondContact O-CG 3.37Å; T272-L276 PolarHBondContact O-N 2.59Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-E279 WeakPolarHBondContact O-CB 3.48Å; L276-E279 PolarHBondContact O-N 3.26Å; L276-V280 WeakPolarHBondContact O-CG2 3.42Å; L276-V280 PolarHBondContact O-N 3.06Å
277	A	97	Very high	94	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-37.5	173.7	0	0	0	0	0	112	L235 C260 I263 Q273 R274 H275 I281	L235-A277 HydrophobicContact CD2-CB 4.4Å; C260-A277 HydrophobicContact CB-CB 4.25Å; C260-A277 WeakPolarHBondContact CB-O 3.48Å; I263-A277 HydrophobicContact CB-CB 3.79Å; I263-A277 HydrophobicContact CD1-CB 4.48Å; I263-A277 HydrophobicContact CG2-CB 3.58Å; Q273-A277 WeakPolarHBondContact O-CB 3.44Å; Q273-A277 PolarHBondContact O-N 2.87Å; Q273-A277 VanDerWaalsContact O-N 3.09Å; R274-A277 PolarHBondContact O-N 3.28Å; H275-A277 VanDerWaalsContact C-N 3.3Å; H275-A277 PolarHBondContact O-N 3.11Å; A277-I281 PolarHBondContact O-N 3.26Å
278	L	97.8	Very high	94.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-44.5	171.8	175.2	57.6	0	0	0	111.3	L264 R274 H275 L276 V280 I281 V282 L302 L306 T336 A340	L264-L278 HydrophobicContact CD1-CB 4.09Å; L264-L278 HydrophobicContact CD2-CB 4.32Å; L264-L278 HydrophobicContact CD2-CD1 4.06Å; R274-L278 PolarHBondContact O-N 3.05Å; H275-L278 CarbonylContact O-C 3.5Å; H275-L278 WeakPolarHBondContact O-CA 3.46Å; H275-L278 WeakPolarHBondContact O-CB 3.41Å; H275-L278 PolarHBondContact O-N 3.05Å; H275-L278 VanDerWaalsContact O-N 3.1Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L278-V280 VanDerWaalsContact C-N 3.34Å; L278-V280 PolarHBondContact O-N 3.16Å; L278-I281 WeakPolarHBondContact O-CA 3.34Å; L278-I281 WeakPolarHBondContact O-CB 3.42Å; L278-I281 PolarHBondContact O-N 3.04Å; L278-V282 HydrophobicContact CD1-CG2 4.05Å; L278-V282 HydrophobicContact CG-CG2 4.38Å; L278-V282 WeakPolarHBondContact O-CG2 3.09Å; L278-V282 PolarHBondContact O-N 3.23Å; L278-L302 HydrophobicContact CD1-CD1 3.94Å; L278-L306 HydrophobicContact CD1-CD2 3.88Å; L278-L306 HydrophobicContact CD2-CD2 3.67Å; L278-L306 HydrophobicContact CG-CD2 4.45Å; L278-T336 HydrophobicContact CD2-CG2 4.29Å; L278-A340 HydrophobicContact CD1-CB 4.01Å; L278-A340 HydrophobicContact CD2-CB 3.6Å; L278-A340 HydrophobicContact CG-CB 3.86Å
279	E	96.9	Very high	94.1	Very high	59 Å²	59	28.9 Å²	28.9	28%	0.276	15%	0.146	S	C	.	.	H	α-helix	trans	-54.7	-49.2	177.8	-172.4	56.7	-146.6	0	0	110.6	V239 H275 L276 I281 V282 T283 R343	V239-E279 HydrophobicContact CG1-CG 4.01Å; V239-E279 HydrophobicContact CG2-CB 4.19Å; V239-E279 HydrophobicContact CG2-CG 4.1Å; H275-E279 PolarHBondContact O-N 3.08Å; L276-E279 WeakPolarHBondContact O-CB 3.48Å; L276-E279 PolarHBondContact O-N 3.26Å; E279-I281 PolarHBondContact O-N 3.33Å; E279-I281 VanDerWaalsContact O-N 3.13Å; E279-V282 PolarHBondContact O-N 2.96Å; E279-T283 WeakPolarHBondContact O-CB 3.2Å; E279-T283 PolarHBondContact O-N 3.37Å; E279-T283 PolarHBondContact O-OG1 3.06Å; E279-T283 PolarHBondContact OE1-OG1 3.36Å; E279-R343 VanDerWaalsContact CD-NH1 3.25Å; E279-R343 IonicContact OE1-CZ 3.44Å; E279-R343 VanDerWaalsContact OE1-CZ 3.3Å; E279-R343 IonicContact OE1-NH1 2.85Å; E279-R343 PolarHBondContact OE1-NH1 3.49Å; E279-R343 IonicContact OE1-NH2 3.99Å; E279-R343 PolarHBondContact OE1-NH2 3.28Å; E279-R343 IonicContact OE2-CZ 3.71Å; E279-R343 IonicContact OE2-NH1 3.94Å; E279-R343 PolarHBondContact OE2-NH1 3.25Å
280	V	98.2	Very high	94	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-52.5	-41	175	173.6	0	0	0	0	112.6	L238 V239 A242 T256 C260 L276 L278 L284	L238-V280 HydrophobicContact CB-CG2 4.1Å; L238-V280 HydrophobicContact CD2-CG1 3.95Å; L238-V280 HydrophobicContact CD2-CG2 4.03Å; L238-V280 HydrophobicContact CG-CG1 3.91Å; L238-V280 HydrophobicContact CG-CG2 3.82Å; V239-V280 HydrophobicContact CB-CG2 4.39Å; V239-V280 HydrophobicContact CG2-CG2 3.52Å; A242-V280 HydrophobicContact CB-CG1 4.23Å; T256-V280 HydrophobicContact CG2-CG1 4.18Å; C260-V280 VanDerWaalsContact SG-CG1 3.58Å; L276-V280 WeakPolarHBondContact O-CG2 3.42Å; L276-V280 PolarHBondContact O-N 3.06Å; L278-V280 VanDerWaalsContact C-N 3.34Å; L278-V280 PolarHBondContact O-N 3.16Å; V280-L284 HydrophobicContact CG1-CD1 3.89Å; V280-L284 HydrophobicContact CG1-CG 4.49Å; V280-L284 VanDerWaalsContact O-CB 3.31Å; V280-L284 WeakPolarHBondContact O-CB 3.31Å; V280-L284 WeakPolarHBondContact O-CD1 3.35Å; V280-L284 WeakPolarHBondContact O-CG 3.45Å; V280-L284 PolarHBondContact O-N 3.47Å; V280-L284 VanDerWaalsContact O-N 3.07Å
281	I	98.2	Very high	94	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-68.6	-44.2	-180	-62.4	167.4	0	0	0	110.7	L257 C260 A277 L278 E279 L284 A285 L302	L257-I281 HydrophobicContact CD2-CB 4.3Å; L257-I281 HydrophobicContact CD2-CG1 4.15Å; L257-I281 HydrophobicContact CD2-CG2 3.9Å; C260-I281 HydrophobicContact CB-CD1 3.84Å; C260-I281 HydrophobicContact CB-CG1 3.66Å; A277-I281 PolarHBondContact O-N 3.26Å; L278-I281 WeakPolarHBondContact O-CA 3.34Å; L278-I281 WeakPolarHBondContact O-CB 3.42Å; L278-I281 PolarHBondContact O-N 3.04Å; E279-I281 PolarHBondContact O-N 3.33Å; E279-I281 VanDerWaalsContact O-N 3.13Å; I281-L284 PolarHBondContact O-N 3.25Å; I281-A285 WeakPolarHBondContact O-CB 3.24Å; I281-A285 PolarHBondContact O-N 3.17Å; I281-L302 HydrophobicContact CG2-CD2 3.62Å
282	V	97.6	Very high	94.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.1	-47	-179.5	178.5	0	0	0	0	110.5	L278 E279 L284 A285 E286 A340 R343	L278-V282 HydrophobicContact CD1-CG2 4.05Å; L278-V282 HydrophobicContact CG-CG2 4.38Å; L278-V282 WeakPolarHBondContact O-CG2 3.09Å; L278-V282 PolarHBondContact O-N 3.23Å; E279-V282 PolarHBondContact O-N 2.96Å; V282-L284 VanDerWaalsContact C-N 3.31Å; V282-L284 PolarHBondContact O-N 3.14Å; V282-A285 WeakPolarHBondContact O-CA 3.38Å; V282-A285 VanDerWaalsContact O-CB 3.25Å; V282-A285 WeakPolarHBondContact O-CB 3.14Å; V282-A285 PolarHBondContact O-N 2.96Å; V282-E286 PolarHBondContact O-N 2.88Å; V282-A340 HydrophobicContact CG2-CB 3.86Å; V282-R343 HydrophobicContact CG1-CB 3.45Å; V282-R343 VanDerWaalsContact CG1-CB 3.45Å; V282-R343 HydrophobicContact CG1-CG 4.41Å
283	T	97.2	Very high	94.2	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-59.7	-39.9	176.1	-46.7	0	0	0	0	112.1	A242 D243 E279 A285 E286 N287	A242-T283 HydrophobicContact CB-CG2 4.16Å; D243-T283 VanDerWaalsContact CA-CG2 3.42Å; D243-T283 HydrophobicContact CB-CG2 3.67Å; E279-T283 WeakPolarHBondContact O-CB 3.2Å; E279-T283 PolarHBondContact O-N 3.37Å; E279-T283 PolarHBondContact O-OG1 3.06Å; E279-T283 PolarHBondContact OE1-OG1 3.36Å; T283-A285 VanDerWaalsContact C-N 3.31Å; T283-A285 PolarHBondContact O-N 2.84Å; T283-E286 PolarHBondContact O-N 2.63Å; T283-N287 WeakPolarHBondContact O-CB 3.14Å; T283-N287 PolarHBondContact O-N 3.06Å; T283-N287 PolarHBondContact O-ND2 2.92Å
284	L	97	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.2	-29.2	174.1	-75.6	172.1	0	0	0	112.8	A242 H246 L249 L253 T256 L257 V280 I281 V282 I288 V292	A242-L284 HydrophobicContact CB-CD2 3.93Å; A242-L284 HydrophobicContact CB-CG 3.81Å; H246-L284 HydrophobicContact CB-CD2 4.39Å; L249-L284 HydrophobicContact CB-CD2 4.49Å; L249-L284 HydrophobicContact CD1-CD2 4.04Å; L253-L284 HydrophobicContact CD1-CB 4.3Å; L253-L284 HydrophobicContact CD1-CD1 3.87Å; L253-L284 HydrophobicContact CD1-CD2 4.24Å; L253-L284 HydrophobicContact CD1-CG 4.37Å; T256-L284 HydrophobicContact CG2-CD1 3.9Å; L257-L284 HydrophobicContact CD2-CD1 4.18Å; V280-L284 HydrophobicContact CG1-CD1 3.89Å; V280-L284 HydrophobicContact CG1-CG 4.49Å; V280-L284 VanDerWaalsContact O-CB 3.31Å; V280-L284 WeakPolarHBondContact O-CB 3.31Å; V280-L284 WeakPolarHBondContact O-CD1 3.35Å; V280-L284 WeakPolarHBondContact O-CG 3.45Å; V280-L284 PolarHBondContact O-N 3.47Å; V280-L284 VanDerWaalsContact O-N 3.07Å; I281-L284 PolarHBondContact O-N 3.25Å; V282-L284 VanDerWaalsContact C-N 3.31Å; V282-L284 PolarHBondContact O-N 3.14Å; L284-I288 HydrophobicContact CD2-CD1 4.14Å; L284-I288 CarbonylContact O-C 3.12Å; L284-I288 WeakPolarHBondContact O-CA 3.43Å; L284-I288 PolarHBondContact O-N 2.97Å; L284-V292 HydrophobicContact CB-CG2 4.36Å; L284-V292 WeakPolarHBondContact O-CG2 3.43Å
285	A	95	Very high	94	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.6	-41.3	172.9	0	0	0	0	0	111	I281 V282 T283 P289 V292 L344 A347 V348	I281-A285 WeakPolarHBondContact O-CB 3.24Å; I281-A285 PolarHBondContact O-N 3.17Å; V282-A285 WeakPolarHBondContact O-CA 3.38Å; V282-A285 VanDerWaalsContact O-CB 3.25Å; V282-A285 WeakPolarHBondContact O-CB 3.14Å; V282-A285 PolarHBondContact O-N 2.96Å; T283-A285 VanDerWaalsContact C-N 3.31Å; T283-A285 PolarHBondContact O-N 2.84Å; A285-P289 WeakPolarHBondContact O-CA 3.41Å; A285-P289 WeakPolarHBondContact O-CB 3.44Å; A285-P289 WeakPolarHBondContact O-CD 3.33Å; A285-V292 HydrophobicContact CB-CG1 4.27Å; A285-V292 HydrophobicContact CB-CG2 4.41Å; A285-L344 HydrophobicContact CB-CD1 3.66Å; A285-A347 HydrophobicContact CB-CB 4Å; A285-V348 HydrophobicContact CB-CG1 3.78Å
286	E	93.1	Very high	93.8	Very high	78 Å²	78	23.9 Å²	23.9	36%	0.364	12%	0.124	S	C	.	.	H	α-helix	trans	-66.8	-41.8	176.9	-68.4	165.1	158.3	0	0	111.7	V282 T283 R343 A347	V282-E286 PolarHBondContact O-N 2.88Å; T283-E286 PolarHBondContact O-N 2.63Å; E286-R343 IonicContact OE1-CZ 2.79Å; E286-R343 IonicContact OE1-NE 2.66Å; E286-R343 PolarHBondContact OE1-NE 3.12Å; E286-R343 IonicContact OE1-NH2 3.22Å; E286-R343 PolarHBondContact OE1-NH2 3.31Å; E286-R343 IonicContact OE2-CZ 2.64Å; E286-R343 IonicContact OE2-NE 2.65Å; E286-R343 IonicContact OE2-NH2 3.84Å; E286-R343 PolarHBondContact OE2-NH2 2.79Å; E286-A347 HydrophobicContact CB-CB 4.43Å; E286-A347 HydrophobicContact CG-CB 3.83Å
287	N	91.1	Very high	93.7	Very high	52 Å²	52	27.9 Å²	27.9	28%	0.278	15%	0.149	S	C	.	.	H	α-helix	trans	-89.9	-27.8	-174.9	-77.3	-71.7	0	0	0	115.2	A242 D243 H246 T283 P289	A242-N287 PolarHBondContact O-ND2 2.88Å; D243-N287 PolarHBondContact O-OD1 2.95Å; H246-N287 HydrophobicContact CB-CB 3.84Å; H246-N287 PolarHBondContact ND1-OD1 2.94Å; T283-N287 WeakPolarHBondContact O-CB 3.14Å; T283-N287 PolarHBondContact O-N 3.06Å; T283-N287 PolarHBondContact O-ND2 2.92Å; N287-P289 VanDerWaalsContact C-CD 3.43Å
288	I	91.6	Very high	93.6	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.031	15%	0.154	C	C	.	.	S	Bend	trans	-132.6	55.6	177.8	-35.5	-178.7	0	0	0	111.3	H246 R250 L253 L284 A290 G291 V292	H246-I288 HydrophobicContact CB-CD1 3.9Å; H246-I288 HydrophobicContact CB-CG1 3.84Å; H246-I288 WeakPolarHBondContact O-CD1 3.05Å; R250-I288 HydrophobicContact CB-CD1 4.15Å; L253-I288 HydrophobicContact CD2-CG2 4.36Å; L284-I288 HydrophobicContact CD2-CD1 4.14Å; L284-I288 CarbonylContact O-C 3.12Å; L284-I288 WeakPolarHBondContact O-CA 3.43Å; L284-I288 PolarHBondContact O-N 2.97Å; I288-A290 VanDerWaalsContact C-N 3.31Å; I288-A290 PolarHBondContact O-N 2.91Å; I288-G291 WeakPolarHBondContact O-CA 3.27Å; I288-G291 PolarHBondContact O-N 3.48Å; I288-V292 PolarHBondContact O-N 3.09Å
289	P	90.4	Very high	93.5	Very high	27 Å²	27	28.7 Å²	28.7	18%	0.175	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-41.7	-170.7	22	-33.6	0	0	0	112.6	A285 N287 G291 V292 R293 A347	A285-P289 WeakPolarHBondContact O-CA 3.41Å; A285-P289 WeakPolarHBondContact O-CB 3.44Å; A285-P289 WeakPolarHBondContact O-CD 3.33Å; N287-P289 VanDerWaalsContact C-CD 3.43Å; P289-G291 VanDerWaalsContact C-N 3.3Å; P289-G291 PolarHBondContact O-N 2.86Å; P289-V292 PolarHBondContact O-N 3.24Å; P289-R293 WeakPolarHBondContact O-CB 3.47Å; P289-R293 WeakPolarHBondContact O-CG 3.4Å; P289-R293 PolarHBondContact O-N 3.28Å; P289-A347 VanDerWaalsContact CB-O 3.32Å; P289-A347 WeakPolarHBondContact CB-O 3.48Å
290	A	88.1	Confident	93.4	Very high	8 Å²	8	28.7 Å²	28.7	7%	0.066	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-34.9	177.7	0	0	0	0	0	112.7	I288 K294 D818 D820	I288-A290 VanDerWaalsContact C-N 3.31Å; I288-A290 PolarHBondContact O-N 2.91Å; A290-K294 WeakPolarHBondContact O-CG 3.44Å; A290-D818 HydrophobicContact CB-CB 4.17Å; A290-D818 WeakPolarHBondContact CB-O 3.44Å; A290-D820 WeakPolarHBondContact CB-OD2 3.45Å
291	G	89.3	Confident	93.3	Very high	9 Å²	9	31.2 Å²	31.2	9%	0.093	17%	0.171	C	C	.	.	H	α-helix	trans	-68	-46.5	174.6	0	0	0	0	0	111.7	I288 P289 K294	I288-G291 WeakPolarHBondContact O-CA 3.27Å; I288-G291 PolarHBondContact O-N 3.48Å; P289-G291 VanDerWaalsContact C-N 3.3Å; P289-G291 PolarHBondContact O-N 2.86Å; G291-K294 WeakPolarHBondContact O-CB 3.41Å; G291-K294 PolarHBondContact O-N 3.49Å
292	V	93.5	Very high	93.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-69.1	-38	-179	-179.4	0	0	0	0	111.6	L253 L257 L284 A285 I288 P289 K294 S295 I299 V348	L253-V292 HydrophobicContact CD1-CG2 4.35Å; L253-V292 HydrophobicContact CD2-CG2 4.27Å; L257-V292 HydrophobicContact CD1-CG1 4.42Å; L257-V292 HydrophobicContact CD1-CG2 4.29Å; L284-V292 HydrophobicContact CB-CG2 4.36Å; L284-V292 WeakPolarHBondContact O-CG2 3.43Å; A285-V292 HydrophobicContact CB-CG1 4.27Å; A285-V292 HydrophobicContact CB-CG2 4.41Å; I288-V292 PolarHBondContact O-N 3.09Å; P289-V292 PolarHBondContact O-N 3.24Å; V292-K294 PolarHBondContact O-N 3.18Å; V292-K294 VanDerWaalsContact O-N 3.13Å; V292-S295 WeakPolarHBondContact O-CA 3.48Å; V292-S295 WeakPolarHBondContact O-CB 3.4Å; V292-S295 PolarHBondContact O-N 3.28Å; V292-I299 HydrophobicContact CG1-CD1 4.18Å; V292-I299 HydrophobicContact CG1-CG1 4.21Å; V292-I299 WeakPolarHBondContact O-CD1 3.48Å; V292-V348 HydrophobicContact CB-CG1 4.18Å; V292-V348 HydrophobicContact CG1-CG1 3.99Å
293	R	90.7	Very high	93.2	Very high	32 Å²	32	31.2 Å²	31.2	12%	0.121	17%	0.171	C	C	.	.	H	α-helix	trans	-53.8	-32.2	173.3	-82.8	-170.6	-76.6	-84.2	-2.5	113.4	P289 S295 A296 V348 D820 F822	P289-R293 WeakPolarHBondContact O-CB 3.47Å; P289-R293 WeakPolarHBondContact O-CG 3.4Å; P289-R293 PolarHBondContact O-N 3.28Å; R293-S295 PolarHBondContact O-N 2.97Å; R293-A296 PolarHBondContact O-N 3.06Å; R293-V348 WeakPolarHBondContact CD-O 3.33Å; R293-V348 HydrophobicContact CG-CB 4.02Å; R293-V348 PolarHBondContact NH1-O 2.82Å; R293-D820 IonicContact CZ-OD1 3.64Å; R293-D820 IonicContact CZ-OD2 2.77Å; R293-D820 IonicContact NE-OD2 3.76Å; R293-D820 PolarHBondContact NE-OD2 3.16Å; R293-D820 IonicContact NH2-OD1 3.54Å; R293-D820 PolarHBondContact NH2-OD1 3.22Å; R293-D820 IonicContact NH2-OD2 3.8Å; R293-D820 PolarHBondContact NH2-OD2 2.64Å; R293-F822 VanDerWaalsContact NH1-CD2 3.29Å; R293-F822 VanDerWaalsContact NH1-CG 3.34Å
294	K	89.4	Confident	93.2	Very high	150 Å²	150	31.8 Å²	31.8	65%	0.652	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.5	176.6	-65.8	165.1	-173.5	166.9	0	112.3	A290 G291 V292 A296 D818	A290-K294 WeakPolarHBondContact O-CG 3.44Å; G291-K294 WeakPolarHBondContact O-CB 3.41Å; G291-K294 PolarHBondContact O-N 3.49Å; V292-K294 PolarHBondContact O-N 3.18Å; V292-K294 VanDerWaalsContact O-N 3.13Å; K294-A296 VanDerWaalsContact C-N 3.33Å; K294-A296 PolarHBondContact O-N 2.96Å; K294-D818 IonicContact NZ-OD1 3.75Å
295	S	91.8	Very high	93.2	Very high	23 Å²	23	32.9 Å²	32.9	16%	0.161	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	40.3	176.4	-57.7	0	0	0	0	112.4	V292 R293 T297 L298 I299	V292-S295 WeakPolarHBondContact O-CA 3.48Å; V292-S295 WeakPolarHBondContact O-CB 3.4Å; V292-S295 PolarHBondContact O-N 3.28Å; R293-S295 PolarHBondContact O-N 2.97Å; S295-T297 VanDerWaalsContact C-N 3.25Å; S295-T297 PolarHBondContact O-N 3.49Å; S295-L298 WeakPolarHBondContact O-CA 3.44Å; S295-L298 WeakPolarHBondContact O-CB 3.43Å; S295-L298 PolarHBondContact O-N 3.3Å; S295-I299 PolarHBondContact O-N 3.22Å; S295-I299 VanDerWaalsContact O-N 3.12Å
296	A	90.8	Very high	93.4	Very high	23 Å²	23	32.9 Å²	32.9	19%	0.19	18%	0.184	C	C	.	.	H	α-helix	trans	-47	-40.7	-175.5	0	0	0	0	0	115	R293 K294 L298 I299 E300 H352	R293-A296 PolarHBondContact O-N 3.06Å; K294-A296 VanDerWaalsContact C-N 3.33Å; K294-A296 PolarHBondContact O-N 2.96Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 3.29Å; A296-I299 PolarHBondContact O-N 2.92Å; A296-E300 PolarHBondContact O-N 2.95Å; A296-H352 WeakPolarHBondContact CB-CE1 3.41Å
297	T	92.4	Very high	93.6	Very high	111 Å²	111	29.3 Å²	29.3	68%	0.681	17%	0.168	S	C	*	.	H	α-helix	trans	-66.5	-33.7	178.9	50.7	0	0	0	0	112.9	S295 S301	S295-T297 VanDerWaalsContact C-N 3.25Å; S295-T297 PolarHBondContact O-N 3.49Å; T297-S301 WeakPolarHBondContact O-CB 3.28Å; T297-S301 PolarHBondContact O-N 3.5Å; T297-S301 VanDerWaalsContact O-N 3.1Å; T297-S301 PolarHBondContact O-OG 3.44Å
298	L	95.3	Very high	93.8	Very high	18 Å²	18	31.2 Å²	31.2	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-71.3	-41.6	175.1	-173.6	150.1	0	0	0	109.8	L257 E258 Y261 S295 A296 S301 L302	L257-L298 HydrophobicContact CB-CD1 3.78Å; L257-L298 HydrophobicContact CB-CD2 4.39Å; E258-L298 HydrophobicContact CG-CD1 4.37Å; Y261-L298 HydrophobicContact CG-CG 4.42Å; S295-L298 WeakPolarHBondContact O-CA 3.44Å; S295-L298 WeakPolarHBondContact O-CB 3.43Å; S295-L298 PolarHBondContact O-N 3.3Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 3.29Å; L298-S301 PolarHBondContact O-N 2.92Å; L298-L302 VanDerWaalsContact O-CB 3.25Å; L298-L302 WeakPolarHBondContact O-CB 3.44Å; L298-L302 PolarHBondContact O-N 3.24Å
299	I	95.1	Very high	94	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-50.4	174.7	-62.6	163.5	0	0	0	110.6	V292 S295 A296 S301 L302 V303 V348 H352 I353	V292-I299 HydrophobicContact CG1-CD1 4.18Å; V292-I299 HydrophobicContact CG1-CG1 4.21Å; V292-I299 WeakPolarHBondContact O-CD1 3.48Å; S295-I299 PolarHBondContact O-N 3.22Å; S295-I299 VanDerWaalsContact O-N 3.12Å; A296-I299 PolarHBondContact O-N 2.92Å; I299-S301 VanDerWaalsContact C-N 3.29Å; I299-S301 PolarHBondContact O-N 3.4Å; I299-L302 WeakPolarHBondContact O-CB 3.35Å; I299-L302 PolarHBondContact O-N 3.26Å; I299-V303 WeakPolarHBondContact O-CG2 3.43Å; I299-V303 PolarHBondContact O-N 2.79Å; I299-V348 HydrophobicContact CD1-CG2 4.4Å; I299-H352 HydrophobicContact CB-CB 4.49Å; I299-H352 HydrophobicContact CG2-CB 4.04Å; I299-I353 HydrophobicContact CG2-CG1 4.04Å
300	E	95.3	Very high	94.3	Very high	58 Å²	58	29.9 Å²	29.9	27%	0.271	17%	0.169	S	C	.	.	H	α-helix	trans	-62.2	-37	179	-71.4	179.7	-175.6	0	0	112.1	A296 G304 H352 N355 E356	A296-E300 PolarHBondContact O-N 2.95Å; E300-G304 PolarHBondContact O-N 2.98Å; E300-H352 HydrophobicContact CG-CB 4.39Å; E300-H352 IonicContact OE1-ND1 2.75Å; E300-N355 PolarHBondContact OE1-ND2 3.08Å; E300-E356 WeakPolarHBondContact O-CG 3.41Å
301	S	96.4	Very high	94.7	Very high	54 Å²	54	30.3 Å²	30.3	38%	0.378	17%	0.172	S	C	.	.	H	α-helix	trans	-70.5	-38.9	176.3	-54.3	0	0	0	0	112	Y261 T297 L298 I299 G304 T305	Y261-S301 VanDerWaalsContact OH-CB 3.29Å; Y261-S301 WeakPolarHBondContact OH-CB 3.47Å; Y261-S301 PolarHBondContact OH-O 3.28Å; Y261-S301 VanDerWaalsContact OH-O 3.12Å; T297-S301 WeakPolarHBondContact O-CB 3.28Å; T297-S301 PolarHBondContact O-N 3.5Å; T297-S301 VanDerWaalsContact O-N 3.1Å; T297-S301 PolarHBondContact O-OG 3.44Å; L298-S301 PolarHBondContact O-N 2.92Å; I299-S301 VanDerWaalsContact C-N 3.29Å; I299-S301 PolarHBondContact O-N 3.4Å; S301-G304 PolarHBondContact O-N 2.99Å; S301-T305 PolarHBondContact O-N 2.94Å; S301-T305 PolarHBondContact O-OG1 3.22Å
302	L	97.5	Very high	94.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-48.2	175.7	176.4	60.9	0	0	0	110.9	Y261 L264 L278 I281 L298 I299 G304 T305 L306 L344	Y261-L302 HydrophobicContact CD2-CB 4.38Å; Y261-L302 HydrophobicContact CD2-CD1 4.13Å; Y261-L302 HydrophobicContact CE2-CB 4.21Å; Y261-L302 HydrophobicContact CE2-CD1 4.25Å; L264-L302 HydrophobicContact CD2-CD1 3.45Å; L264-L302 VanDerWaalsContact CD2-CD1 3.45Å; L278-L302 HydrophobicContact CD1-CD1 3.94Å; I281-L302 HydrophobicContact CG2-CD2 3.62Å; L298-L302 VanDerWaalsContact O-CB 3.25Å; L298-L302 WeakPolarHBondContact O-CB 3.44Å; L298-L302 PolarHBondContact O-N 3.24Å; I299-L302 WeakPolarHBondContact O-CB 3.35Å; I299-L302 PolarHBondContact O-N 3.26Å; L302-G304 PolarHBondContact O-N 3.37Å; L302-T305 CarbonylContact O-C 3.54Å; L302-T305 WeakPolarHBondContact O-CA 3.49Å; L302-T305 WeakPolarHBondContact O-CB 3.48Å; L302-T305 PolarHBondContact O-N 2.9Å; L302-L306 HydrophobicContact CD1-CD1 4.44Å; L302-L306 HydrophobicContact CD1-CD2 4.4Å; L302-L306 HydrophobicContact CD1-CG 4.17Å; L302-L306 HydrophobicContact CG-CD1 4.14Å; L302-L306 HydrophobicContact CG-CG 4.31Å; L302-L306 WeakPolarHBondContact O-CG 3.25Å; L302-L306 PolarHBondContact O-N 3.14Å; L302-L344 HydrophobicContact CD2-CD2 3.79Å; L302-L344 HydrophobicContact CG-CD2 4.37Å
303	V	97.3	Very high	94.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-41.8	175.6	175.4	0	0	0	0	110.6	I299 T305 L306 L307 L341 L344 I353 E356 I357	I299-V303 WeakPolarHBondContact O-CG2 3.43Å; I299-V303 PolarHBondContact O-N 2.79Å; V303-T305 VanDerWaalsContact C-N 3.32Å; V303-T305 PolarHBondContact O-N 3.39Å; V303-L306 PolarHBondContact O-N 3.05Å; V303-L307 HydrophobicContact CG1-CD1 4.3Å; V303-L307 HydrophobicContact CG1-CG 4.4Å; V303-L307 VanDerWaalsContact O-CG 3.24Å; V303-L307 WeakPolarHBondContact O-CG 3.37Å; V303-L307 PolarHBondContact O-N 3.06Å; V303-L341 HydrophobicContact CG1-CD1 4.24Å; V303-L341 HydrophobicContact CG2-CD1 4.17Å; V303-L344 HydrophobicContact CG2-CD2 4.4Å; V303-I353 HydrophobicContact CG2-CB 4.29Å; V303-I353 HydrophobicContact CG2-CG1 3.9Å; V303-I353 HydrophobicContact CG2-CG2 4.15Å; V303-E356 HydrophobicContact CB-CB 4Å; V303-E356 HydrophobicContact CB-CG 3.91Å; V303-E356 HydrophobicContact CG1-CB 3.78Å; V303-E356 HydrophobicContact CG1-CG 3.69Å; V303-I357 HydrophobicContact CG1-CD1 4.04Å; V303-I357 HydrophobicContact CG1-CG1 4.3Å
304	G	96.5	Very high	94.7	Very high	16 Å²	16	39 Å²	39	17%	0.165	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-39.8	173.3	0	0	0	0	0	113.6	E300 S301 L302 N308	E300-G304 PolarHBondContact O-N 2.98Å; S301-G304 PolarHBondContact O-N 2.99Å; L302-G304 PolarHBondContact O-N 3.37Å; G304-N308 PolarHBondContact O-N 3.34Å; G304-N308 PolarHBondContact O-ND2 2.96Å; G304-N308 VanDerWaalsContact O-ND2 3.11Å
305	T	97.4	Very high	94.6	Very high	22 Å²	22	37 Å²	37	14%	0.135	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-47.1	174.6	-59.7	0	0	0	0	111.5	Y261 L264 S301 L302 V303 L307 N308 M309	Y261-T305 WeakPolarHBondContact CE2-OG1 3.35Å; Y261-T305 PolarHBondContact OH-OG1 3.45Å; L264-T305 HydrophobicContact CD2-CG2 4.18Å; L264-T305 HydrophobicContact CG-CG2 4.19Å; S301-T305 PolarHBondContact O-N 2.94Å; S301-T305 PolarHBondContact O-OG1 3.22Å; L302-T305 CarbonylContact O-C 3.54Å; L302-T305 WeakPolarHBondContact O-CA 3.49Å; L302-T305 WeakPolarHBondContact O-CB 3.48Å; L302-T305 PolarHBondContact O-N 2.9Å; V303-T305 VanDerWaalsContact C-N 3.32Å; V303-T305 PolarHBondContact O-N 3.39Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-L307 PolarHBondContact O-N 3.26Å; T305-N308 WeakPolarHBondContact O-CB 3.45Å; T305-N308 PolarHBondContact O-N 3.07Å; T305-N308 VanDerWaalsContact O-N 3.08Å; T305-M309 HydrophobicContact CG2-SD 4.16Å; T305-M309 PolarHBondContact O-N 3.23Å
306	L	97.9	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-44	178.3	-64.6	176.1	0	0	0	111.3	L278 L302 V303 N308 M309 M310 A337 A340 L341 L344	L278-L306 HydrophobicContact CD1-CD2 3.88Å; L278-L306 HydrophobicContact CD2-CD2 3.67Å; L278-L306 HydrophobicContact CG-CD2 4.45Å; L302-L306 HydrophobicContact CD1-CD1 4.44Å; L302-L306 HydrophobicContact CD1-CD2 4.4Å; L302-L306 HydrophobicContact CD1-CG 4.17Å; L302-L306 HydrophobicContact CG-CD1 4.14Å; L302-L306 HydrophobicContact CG-CG 4.31Å; L302-L306 WeakPolarHBondContact O-CG 3.25Å; L302-L306 PolarHBondContact O-N 3.14Å; V303-L306 PolarHBondContact O-N 3.05Å; L306-N308 PolarHBondContact O-N 2.93Å; L306-M309 PolarHBondContact O-N 2.96Å; L306-M309 VanDerWaalsContact O-N 3.11Å; L306-M310 VanDerWaalsContact O-CG 3.26Å; L306-M310 WeakPolarHBondContact O-CG 3.29Å; L306-M310 PolarHBondContact O-N 2.87Å; L306-A337 HydrophobicContact CB-CB 4.36Å; L306-A337 HydrophobicContact CD2-CB 3.96Å; L306-A340 HydrophobicContact CD2-CB 4.22Å; L306-L341 HydrophobicContact CD1-CB 4.09Å; L306-L341 HydrophobicContact CD1-CD1 4.33Å; L306-L344 HydrophobicContact CD1-CD2 4.49Å
307	L	97.6	Very high	94.3	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-33.2	176.4	-70.5	176.2	0	0	0	113.7	V303 T305 M310 S311 I357 V361 M364 A379	V303-L307 HydrophobicContact CG1-CD1 4.3Å; V303-L307 HydrophobicContact CG1-CG 4.4Å; V303-L307 VanDerWaalsContact O-CG 3.24Å; V303-L307 WeakPolarHBondContact O-CG 3.37Å; V303-L307 PolarHBondContact O-N 3.06Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-L307 PolarHBondContact O-N 3.26Å; L307-M310 HydrophobicContact CD2-SD 4.49Å; L307-S311 PolarHBondContact O-OG 3.36Å; L307-S311 VanDerWaalsContact O-OG 3.04Å; L307-I357 HydrophobicContact CD1-CD1 4.33Å; L307-I357 HydrophobicContact CD2-CD1 3.97Å; L307-V361 HydrophobicContact CD1-CG2 4.5Å; L307-V361 HydrophobicContact CD2-CG2 4.25Å; L307-M364 HydrophobicContact CB-CE 4.12Å; L307-M364 HydrophobicContact CB-SD 4.05Å; L307-M364 HydrophobicContact CD1-SD 4.06Å; L307-M364 HydrophobicContact CD2-CE 4.34Å; L307-M364 HydrophobicContact CD2-SD 4.14Å; L307-M364 HydrophobicContact CG-SD 4.32Å; L307-A379 HydrophobicContact CD2-CB 3.32Å
308	N	96	Very high	94.2	Very high	92 Å²	92	45.3 Å²	45.3	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-73.3	-43.8	174.9	-68.6	-41.9	0	0	0	110.8	G304 T305 L306 M310 S311	G304-N308 PolarHBondContact O-N 3.34Å; G304-N308 PolarHBondContact O-ND2 2.96Å; G304-N308 VanDerWaalsContact O-ND2 3.11Å; T305-N308 WeakPolarHBondContact O-CB 3.45Å; T305-N308 PolarHBondContact O-N 3.07Å; T305-N308 VanDerWaalsContact O-N 3.08Å; L306-N308 PolarHBondContact O-N 2.93Å; N308-M310 VanDerWaalsContact C-N 3.34Å; N308-M310 PolarHBondContact O-N 3.44Å; N308-S311 WeakPolarHBondContact O-CA 3.46Å; N308-S311 VanDerWaalsContact O-CB 3.25Å; N308-S311 WeakPolarHBondContact O-CB 3.32Å; N308-S311 PolarHBondContact O-N 3.19Å
309	M	96.5	Very high	94.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-41.3	176.1	-69.8	174.6	64.8	0	0	111.9	L264 T305 L306 S311 E312 N333 A337	L264-M309 HydrophobicContact CD1-CE 4.13Å; L264-M309 HydrophobicContact CD1-SD 3.75Å; T305-M309 HydrophobicContact CG2-SD 4.16Å; T305-M309 PolarHBondContact O-N 3.23Å; L306-M309 PolarHBondContact O-N 2.96Å; L306-M309 VanDerWaalsContact O-N 3.11Å; M309-S311 PolarHBondContact O-N 2.94Å; M309-E312 VanDerWaalsContact O-CB 3.28Å; M309-E312 WeakPolarHBondContact O-CB 3.28Å; M309-E312 PolarHBondContact O-N 3.36Å; M309-N333 HydrophobicContact CE-CB 4.23Å; M309-A337 HydrophobicContact CB-CB 3.56Å; M309-A337 HydrophobicContact CE-CB 4.33Å
310	M	96.5	Very high	93.9	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.8	172.3	-67.3	176	80.3	0	0	113.4	L306 L307 N308 V313 A337 E338 L341 A375 M378 A379	L306-M310 VanDerWaalsContact O-CG 3.26Å; L306-M310 WeakPolarHBondContact O-CG 3.29Å; L306-M310 PolarHBondContact O-N 2.87Å; L307-M310 HydrophobicContact CD2-SD 4.49Å; N308-M310 VanDerWaalsContact C-N 3.34Å; N308-M310 PolarHBondContact O-N 3.44Å; M310-V313 WeakPolarHBondContact O-CG2 3.39Å; M310-A337 HydrophobicContact CG-CB 3.71Å; M310-E338 HydrophobicContact CE-CB 3.88Å; M310-E338 HydrophobicContact CE-CG 3.93Å; M310-L341 HydrophobicContact SD-CD2 3.98Å; M310-A375 HydrophobicContact CB-CB 3.82Å; M310-A375 WeakPolarHBondContact O-CB 3.38Å; M310-M378 HydrophobicContact CE-CB 3.54Å; M310-A379 HydrophobicContact CE-CB 4.08Å; M310-A379 VanDerWaalsContact CE-N 3.35Å; M310-A379 HydrophobicContact SD-CB 4.13Å
311	S	96.1	Very high	93.7	Very high	18 Å²	18	48.6 Å²	48.6	13%	0.126	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.1	174.6	-54.3	0	0	0	0	113.2	L307 N308 M309 V313 K371 A375	L307-S311 PolarHBondContact O-OG 3.36Å; L307-S311 VanDerWaalsContact O-OG 3.04Å; N308-S311 WeakPolarHBondContact O-CA 3.46Å; N308-S311 VanDerWaalsContact O-CB 3.25Å; N308-S311 WeakPolarHBondContact O-CB 3.32Å; N308-S311 PolarHBondContact O-N 3.19Å; M309-S311 PolarHBondContact O-N 2.94Å; S311-V313 PolarHBondContact O-N 3.41Å; S311-K371 WeakPolarHBondContact O-CB 3.19Å; S311-A375 VanDerWaalsContact OG-CB 3.26Å; S311-A375 WeakPolarHBondContact OG-CB 3.5Å
312	E	94.1	Very high	93.5	Very high	84 Å²	84	47.2 Å²	47.2	39%	0.393	26%	0.263	S	S	.	.			trans	-83.8	44.9	179.3	-61.8	174.9	-161.2	0	0	111.8	M309 N333	M309-E312 VanDerWaalsContact O-CB 3.28Å; M309-E312 WeakPolarHBondContact O-CB 3.28Å; M309-E312 PolarHBondContact O-N 3.36Å; E312-N333 HydrophobicContact CB-CB 4.46Å; E312-N333 WeakPolarHBondContact OE2-CB 3.49Å; E312-N333 PolarHBondContact OE2-ND2 3.22Å
313	V	91.1	Very high	93	Very high	16 Å²	16	48.8 Å²	48.8	10%	0.097	27%	0.271	C	S	.	.			trans	-89.8	133.5	179.7	-179.9	0	0	0	0	109.5	M310 S311 A334 W370 K371 Y374 R412	M310-V313 WeakPolarHBondContact O-CG2 3.39Å; S311-V313 PolarHBondContact O-N 3.41Å; V313-A334 HydrophobicContact CG2-CB 3.73Å; V313-W370 HydrophobicContact CB-CH2 4.41Å; V313-W370 HydrophobicContact CG1-CH2 3.98Å; V313-W370 HydrophobicContact CG1-CZ3 4.48Å; V313-K371 VanDerWaalsContact O-CD 3.28Å; V313-K371 WeakPolarHBondContact O-CD 3.24Å; V313-K371 WeakPolarHBondContact O-CE 3.31Å; V313-K371 PolarHBondContact O-NZ 3.49Å; V313-Y374 HydrophobicContact CG2-CD1 3.86Å; V313-Y374 HydrophobicContact CG2-CE1 3.71Å; V313-R412 VanDerWaalsContact CG1-NH1 3.28Å
314	D	87.9	Confident	92.6	Very high	125 Å²	125	52.5 Å²	52.5	67%	0.668	29%	0.294	S	S	*	.			trans	-71.3	160.1	178.2	-81.7	-36.2	0	0	0	113.7	R412	D314-R412 PolarHBondContact O-NH1 3.24Å
315	E	88	Confident	91.9	Very high	106 Å²	106	54.8 Å²	54.8	50%	0.495	31%	0.311	S	S	.	.			trans	-101.1	110.2	173.5	-177.9	81	-139.5	0	0	108.8	W370 H410	E315-W370 VanDerWaalsContact OE2-CE2 3.23Å; E315-W370 VanDerWaalsContact OE2-CZ2 3.23Å; E315-W370 WeakPolarHBondContact OE2-CZ2 3.4Å; E315-W370 PolarHBondContact OE2-NE1 3.08Å; E315-H410 IonicContact OE1-NE2 3.56Å; E315-H410 IonicContact OE2-NE2 2.82Å
316	E	89.1	Confident	91.1	Very high	92 Å²	92	55.6 Å²	55.6	43%	0.43	31%	0.314	S	S	.	.			trans	-99.5	115.4	176.9	-74.9	165.4	-116.7	0	0	110.5	D318 W319 R412	E316-D318 VanDerWaalsContact C-N 3.27Å; E316-D318 PolarHBondContact O-N 3.01Å; E316-W319 HydrophobicContact CB-CB 3.98Å; E316-W319 WeakPolarHBondContact O-CB 3.22Å; E316-W319 PolarHBondContact O-N 3.08Å; E316-R412 IonicContact OE1-CZ 2.84Å; E316-R412 IonicContact OE1-NH1 3.68Å; E316-R412 IonicContact OE1-NH2 3.42Å; E316-R412 PolarHBondContact OE1-NH2 2.88Å; E316-R412 IonicContact OE2-NH2 3.71Å
317	P	86.6	Confident	90	Very high	116 Å²	116	63.9 Å²	63.9	75%	0.753	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.4	-174.8	-25.2	33.7	0	0	0	114.7
318	D	91.1	Very high	88.7	Confident	125 Å²	125	70.1 Å²	70.1	67%	0.668	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	2.2	-172.3	-60	-27.2	0	0	0	112.8	E316 A320 D321 A322	E316-D318 VanDerWaalsContact C-N 3.27Å; E316-D318 PolarHBondContact O-N 3.01Å; D318-A320 VanDerWaalsContact C-N 3.26Å; D318-A320 PolarHBondContact O-N 3.47Å; D318-D321 PolarHBondContact O-N 3.06Å; D318-A322 PolarHBondContact O-N 3.4Å; D318-A322 VanDerWaalsContact O-N 3.15Å
319	W	93.1	Very high	87.8	Confident	9 Å²	9	70.1 Å²	70.1	3%	0.034	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.4	-176.9	-176.2	95.1	0	0	0	113	E316 D321 E326 P411 R412 Y415 V452 R454 V455	E316-W319 HydrophobicContact CB-CB 3.98Å; E316-W319 WeakPolarHBondContact O-CB 3.22Å; E316-W319 PolarHBondContact O-N 3.08Å; W319-D321 VanDerWaalsContact C-N 3.31Å; W319-D321 PolarHBondContact O-N 3Å; W319-E326 VanDerWaalsContact CZ2-OE2 3.3Å; W319-E326 WeakPolarHBondContact CZ2-OE2 3.29Å; W319-E326 PolarHBondContact NE1-OE1 3.17Å; W319-E326 PolarHBondContact NE1-OE2 2.98Å; W319-P411 HydrophobicContact CE3-CB 4.45Å; W319-P411 HydrophobicContact CE3-CG 4.38Å; W319-P411 HydrophobicContact CZ3-CB 3.88Å; W319-P411 HydrophobicContact CZ3-CG 4.28Å; W319-R412 VanDerWaalsContact CD1-CZ 3.44Å; W319-R412 HydrophobicContact CD2-CG 3.78Å; W319-R412 HydrophobicContact CE3-CG 3.99Å; W319-R412 HydrophobicContact CG-CG 4.42Å; W319-R412 HydrophobicContact CH2-CG 4.07Å; W319-R412 HydrophobicContact CZ2-CG 3.81Å; W319-R412 HydrophobicContact CZ3-CG 4.15Å; W319-R412 VanDerWaalsContact NE1-NE 3.14Å; W319-Y415 HydrophobicContact CH2-CD2 4.02Å; W319-Y415 AromaticContact CH2-CG 3.97Å; W319-Y415 HydrophobicContact CH2-CG 3.97Å; W319-Y415 HydrophobicContact CZ2-CD1 4.48Å; W319-Y415 HydrophobicContact CZ2-CD2 4.02Å; W319-Y415 AromaticContact CZ2-CG 3.96Å; W319-Y415 HydrophobicContact CZ2-CG 3.96Å; W319-V452 HydrophobicContact CZ3-CG1 3.91Å; W319-R454 HydrophobicContact CH2-CB 3.76Å; W319-R454 HydrophobicContact CZ2-CB 4.03Å; W319-R454 HydrophobicContact CZ3-CB 4.22Å; W319-V455 HydrophobicContact CH2-CG2 4.27Å; W319-V455 HydrophobicContact CZ3-CG2 4.32Å
320	A	90.8	Very high	86.5	Confident	29 Å²	29	76.2 Å²	76.2	24%	0.24	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.8	-176.7	0	0	0	0	0	113.6	D318 P411 V452 P453	D318-A320 VanDerWaalsContact C-N 3.26Å; D318-A320 PolarHBondContact O-N 3.47Å; A320-P411 HydrophobicContact CB-CG 4.38Å; A320-V452 HydrophobicContact CB-CG1 4.13Å; A320-V452 HydrophobicContact CB-CG2 4.25Å; A320-P453 VanDerWaalsContact O-CD 3.3Å; A320-P453 WeakPolarHBondContact O-CD 3.46Å
321	D	90.9	Very high	85.5	Confident	108 Å²	108	79.4 Å²	79.4	58%	0.578	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-9.4	-178.8	-74.1	-50.2	0	0	0	113	D318 W319 D323	D318-D321 PolarHBondContact O-N 3.06Å; W319-D321 VanDerWaalsContact C-N 3.31Å; W319-D321 PolarHBondContact O-N 3Å; D321-D323 PolarHBondContact O-N 3.13Å
322	A	90.6	Very high	85.1	Confident	24 Å²	24	80 Å²	80	20%	0.198	44%	0.441	C	S	.	.			trans	-60.4	131.4	179.1	0	0	0	0	0	112.1	D318 T324	D318-A322 PolarHBondContact O-N 3.4Å; D318-A322 VanDerWaalsContact O-N 3.15Å; A322-T324 VanDerWaalsContact C-N 3.33Å
323	D	89	Confident	85	Confident	35 Å²	35	76.3 Å²	76.3	19%	0.187	42%	0.424	C	S	.	.			trans	-100.6	30.3	173.5	-172.5	60.6	0	0	0	111.8	D321 R502 K503 L504	D321-D323 PolarHBondContact O-N 3.13Å; D323-R502 HydrophobicContact CB-CG 4.26Å; D323-R502 WeakPolarHBondContact OD2-CA 3.37Å; D323-K503 PolarHBondContact OD1-N 3.33Å; D323-K503 VanDerWaalsContact OD1-N 3.14Å; D323-K503 PolarHBondContact OD2-N 3.21Å; D323-L504 VanDerWaalsContact OD1-CB 3.24Å; D323-L504 WeakPolarHBondContact OD1-CB 3.45Å; D323-L504 PolarHBondContact OD1-N 2.8Å
324	T	88.5	Confident	85.1	Confident	77 Å²	77	76.2 Å²	76.2	47%	0.472	43%	0.425	S	S	.	.	S	Bend	trans	-124.8	156.8	172.5	55.4	0	0	0	0	109.4	A322 R454 L504	A322-T324 VanDerWaalsContact C-N 3.33Å; T324-R454 PolarHBondContact O-NE 3.44Å; T324-L504 WeakPolarHBondContact O-CD2 3.38Å
325	A	80.8	Confident	85.3	Confident	64 Å²	64	71.1 Å²	71.1	53%	0.529	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-56.5	158.6	167.1	0	0	0	0	0	109.8	E327 R454	A325-E327 PolarHBondContact O-N 3.19Å; A325-R454 PolarHBondContact O-NH2 3.04Å
326	E	80.8	Confident	85.6	Confident	40 Å²	40	67.4 Å²	67.4	19%	0.187	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-70.7	124.3	169.9	-172.7	153.5	-150	0	0	107.6	W319 R412	W319-E326 VanDerWaalsContact CZ2-OE2 3.3Å; W319-E326 WeakPolarHBondContact CZ2-OE2 3.29Å; W319-E326 PolarHBondContact NE1-OE1 3.17Å; W319-E326 PolarHBondContact NE1-OE2 2.98Å; E326-R412 IonicContact OE1-CZ 3.2Å; E326-R412 IonicContact OE1-NE 3.57Å; E326-R412 IonicContact OE1-NH2 3.55Å; E326-R412 PolarHBondContact OE1-NH2 2.83Å
327	E	74.5	Confident	86	Confident	174 Å²	174	63 Å²	63	81%	0.813	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-84.7	128.7	170.2	-72.1	172	-166.5	0	0	106.2	A325	A325-E327 PolarHBondContact O-N 3.19Å
328	E	70.5	Confident	86.4	Confident	134 Å²	134	59.2 Å²	59.2	63%	0.626	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-80.8	136.1	177.7	-73	179.2	-166.3	0	0	109.1	L335	E328-L335 HydrophobicContact CB-CD2 3.94Å
329	D	76.2	Confident	86.6	Confident	92 Å²	92	57.7 Å²	57.7	49%	0.492	33%	0.325	S	S	.	.			trans	-91.4	101.3	171.7	177.4	2.4	0	0	0	108	S331 S332	D329-S331 PolarHBondContact O-N 3.02Å; D329-S331 PolarHBondContact OD1-N 2.91Å; D329-S331 PolarHBondContact OD1-OG 3.13Å; D329-S332 VanDerWaalsContact O-CB 3.32Å; D329-S332 WeakPolarHBondContact O-CB 3.4Å; D329-S332 PolarHBondContact O-N 3.02Å; D329-S332 PolarHBondContact O-OG 2.86Å
330	D	70.5	Confident	86.8	Confident	129 Å²	129	57.5 Å²	57.5	69%	0.69	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.9	-179.7	-65.2	-22.8	0	0	0	113
331	S	74.7	Confident	87.1	Confident	71 Å²	71	56.1 Å²	56.1	50%	0.497	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.8	178.7	71.5	0	0	0	0	114.3	H275 D329	H275-S331 PolarHBondContact CE1-O 3.14Å; D329-S331 PolarHBondContact O-N 3.02Å; D329-S331 PolarHBondContact OD1-N 2.91Å; D329-S331 PolarHBondContact OD1-OG 3.13Å
332	S	88.6	Confident	87.4	Confident	30 Å²	30	53.2 Å²	53.2	21%	0.21	30%	0.298	C	S	.	.			trans	-76.6	136.4	-174.7	71.6	0	0	0	0	113.1	D329 A334 L335 T336	D329-S332 VanDerWaalsContact O-CB 3.32Å; D329-S332 WeakPolarHBondContact O-CB 3.4Å; D329-S332 PolarHBondContact O-N 3.02Å; D329-S332 PolarHBondContact O-OG 2.86Å; S332-A334 PolarHBondContact O-N 2.78Å; S332-L335 PolarHBondContact O-N 2.86Å; S332-L335 WeakPolarHBondContact OG-CB 3.32Å; S332-L335 PolarHBondContact OG-N 3.46Å; S332-T336 PolarHBondContact O-N 2.91Å; S332-T336 PolarHBondContact O-OG1 3.4Å; S332-T336 VanDerWaalsContact O-OG1 3.06Å
333	N	92.1	Very high	87.6	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.032	30%	0.301	C	S	.	.	H	α-helix	trans	-52.3	-34.2	175	-76.1	-25	0	0	0	113.1	E271 R274 H275 M309 E312 A337	E271-N333 PolarHBondContact OE1-ND2 2.81Å; R274-N333 PolarHBondContact NH1-ND2 3.32Å; H275-N333 PolarHBondContact NE2-OD1 3.44Å; M309-N333 HydrophobicContact CE-CB 4.23Å; E312-N333 HydrophobicContact CB-CB 4.46Å; E312-N333 WeakPolarHBondContact OE2-CB 3.49Å; E312-N333 PolarHBondContact OE2-ND2 3.22Å; N333-A337 WeakPolarHBondContact O-CB 3.28Å; N333-A337 PolarHBondContact O-N 3.24Å; N333-A337 VanDerWaalsContact O-N 3.09Å
334	A	93	Very high	87.9	Confident	14 Å²	14	53.8 Å²	53.8	12%	0.116	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-46.6	-177.6	0	0	0	0	0	112.1	V313 S332 A337 E338	V313-A334 HydrophobicContact CG2-CB 3.73Å; S332-A334 PolarHBondContact O-N 2.78Å; A334-A337 PolarHBondContact O-N 3.04Å; A334-E338 PolarHBondContact O-N 3.34Å
335	L	92.6	Very high	88.2	Confident	18 Å²	18	50.1 Å²	50.1	9%	0.094	27%	0.27	C	S	.	.	H	α-helix	trans	-70.3	-45.5	179	-177.9	63.1	0	0	0	111.4	E328 S332 A337 E338 L339	E328-L335 HydrophobicContact CB-CD2 3.94Å; S332-L335 PolarHBondContact O-N 2.86Å; S332-L335 WeakPolarHBondContact OG-CB 3.32Å; S332-L335 PolarHBondContact OG-N 3.46Å; L335-A337 PolarHBondContact O-N 3.24Å; L335-E338 WeakPolarHBondContact O-CB 3.35Å; L335-E338 PolarHBondContact O-N 3.39Å; L335-L339 HydrophobicContact CD1-CD1 4.35Å; L335-L339 HydrophobicContact CD1-CG 4.22Å; L335-L339 HydrophobicContact CG-CD1 4.08Å; L335-L339 HydrophobicContact CG-CG 4.36Å; L335-L339 WeakPolarHBondContact O-CG 3.36Å; L335-L339 PolarHBondContact O-N 2.94Å
336	T	94.5	Very high	88.7	Confident	28 Å²	28	49.8 Å²	49.8	17%	0.172	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-40.3	176	-47.5	0	0	0	0	111.3	H275 L278 S332 A340	H275-T336 HydrophobicContact CB-CG2 4.18Å; L278-T336 HydrophobicContact CD2-CG2 4.29Å; S332-T336 PolarHBondContact O-N 2.91Å; S332-T336 PolarHBondContact O-OG1 3.4Å; S332-T336 VanDerWaalsContact O-OG1 3.06Å; T336-A340 WeakPolarHBondContact O-CB 3.46Å; T336-A340 PolarHBondContact O-N 3.03Å
337	A	96.7	Very high	89.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.9	-33.6	177.8	0	0	0	0	0	113.4	L306 M309 M310 N333 A334 L335 L341	L306-A337 HydrophobicContact CB-CB 4.36Å; L306-A337 HydrophobicContact CD2-CB 3.96Å; M309-A337 HydrophobicContact CB-CB 3.56Å; M309-A337 HydrophobicContact CE-CB 4.33Å; M310-A337 HydrophobicContact CG-CB 3.71Å; N333-A337 WeakPolarHBondContact O-CB 3.28Å; N333-A337 PolarHBondContact O-N 3.24Å; N333-A337 VanDerWaalsContact O-N 3.09Å; A334-A337 PolarHBondContact O-N 3.04Å; L335-A337 PolarHBondContact O-N 3.24Å; A337-L341 WeakPolarHBondContact O-CB 3.49Å; A337-L341 PolarHBondContact O-N 3.25Å
338	E	95.9	Very high	89.9	Confident	37 Å²	37	40.7 Å²	40.7	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-54.1	173.6	-173.9	174.8	154.7	0	0	111.2	M310 A334 L335 A340 L341 D342 M378 A382	M310-E338 HydrophobicContact CE-CB 3.88Å; M310-E338 HydrophobicContact CE-CG 3.93Å; A334-E338 PolarHBondContact O-N 3.34Å; L335-E338 WeakPolarHBondContact O-CB 3.35Å; L335-E338 PolarHBondContact O-N 3.39Å; E338-A340 VanDerWaalsContact C-N 3.31Å; E338-A340 PolarHBondContact O-N 2.88Å; E338-L341 WeakPolarHBondContact O-CB 3.3Å; E338-L341 PolarHBondContact O-N 3.12Å; E338-L341 VanDerWaalsContact O-N 3.11Å; E338-D342 PolarHBondContact O-N 3.37Å; E338-M378 WeakPolarHBondContact OE1-CE 3.38Å; E338-M378 VanDerWaalsContact OE2-CE 3.23Å; E338-M378 WeakPolarHBondContact OE2-CE 3.24Å; E338-A382 HydrophobicContact CG-CB 4.06Å
339	L	95.3	Very high	90.5	Very high	92 Å²	92	34.5 Å²	34.5	48%	0.482	20%	0.197	S	C	.	.	H	α-helix	trans	-60.2	-41.2	178.7	-64.6	175.3	0	0	0	111.7	L335 D342 R343	L335-L339 HydrophobicContact CD1-CD1 4.35Å; L335-L339 HydrophobicContact CD1-CG 4.22Å; L335-L339 HydrophobicContact CG-CD1 4.08Å; L335-L339 HydrophobicContact CG-CG 4.36Å; L335-L339 WeakPolarHBondContact O-CG 3.36Å; L335-L339 PolarHBondContact O-N 2.94Å; L339-D342 PolarHBondContact O-N 3.21Å; L339-R343 WeakPolarHBondContact O-CB 3.48Å; L339-R343 WeakPolarHBondContact O-CG 3.25Å; L339-R343 PolarHBondContact O-N 3.11Å
340	A	96.7	Very high	90.6	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-36.8	176.1	0	0	0	0	0	112.8	L278 V282 L306 T336 E338 L344	L278-A340 HydrophobicContact CD1-CB 4.01Å; L278-A340 HydrophobicContact CD2-CB 3.6Å; L278-A340 HydrophobicContact CG-CB 3.86Å; V282-A340 HydrophobicContact CG2-CB 3.86Å; L306-A340 HydrophobicContact CD2-CB 4.22Å; T336-A340 WeakPolarHBondContact O-CB 3.46Å; T336-A340 PolarHBondContact O-N 3.03Å; E338-A340 VanDerWaalsContact C-N 3.31Å; E338-A340 PolarHBondContact O-N 2.88Å; A340-L344 WeakPolarHBondContact O-CB 3.26Å; A340-L344 PolarHBondContact O-N 3.5Å
341	L	97.4	Very high	91.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-40.2	177.1	178.3	60.5	0	0	0	111.3	V303 L306 M310 A337 E338 S345 I353 I357 A379 A382	V303-L341 HydrophobicContact CG1-CD1 4.24Å; V303-L341 HydrophobicContact CG2-CD1 4.17Å; L306-L341 HydrophobicContact CD1-CB 4.09Å; L306-L341 HydrophobicContact CD1-CD1 4.33Å; M310-L341 HydrophobicContact SD-CD2 3.98Å; A337-L341 WeakPolarHBondContact O-CB 3.49Å; A337-L341 PolarHBondContact O-N 3.25Å; E338-L341 WeakPolarHBondContact O-CB 3.3Å; E338-L341 PolarHBondContact O-N 3.12Å; E338-L341 VanDerWaalsContact O-N 3.11Å; L341-S345 VanDerWaalsContact O-CB 3.25Å; L341-S345 WeakPolarHBondContact O-CB 3.43Å; L341-S345 PolarHBondContact O-N 3.17Å; L341-I353 HydrophobicContact CD1-CG2 3.93Å; L341-I357 HydrophobicContact CD2-CD1 4.37Å; L341-A379 HydrophobicContact CD2-CB 3.9Å; L341-A382 HydrophobicContact CB-CB 4.25Å; L341-A382 HydrophobicContact CD2-CB 4.08Å; L341-A382 HydrophobicContact CG-CB 4.16Å
342	D	96.2	Very high	91.9	Very high	47 Å²	47	27.6 Å²	27.6	25%	0.251	15%	0.149	S	C	.	.	H	α-helix	trans	-63.3	-58	176.1	178.1	34.2	0	0	0	111.7	E338 L339 L344 S345 C346 A382	E338-D342 PolarHBondContact O-N 3.37Å; L339-D342 PolarHBondContact O-N 3.21Å; D342-L344 VanDerWaalsContact C-N 3.28Å; D342-L344 PolarHBondContact O-N 3.16Å; D342-S345 WeakPolarHBondContact O-CA 3.22Å; D342-S345 VanDerWaalsContact O-CB 3.28Å; D342-S345 WeakPolarHBondContact O-CB 3.4Å; D342-S345 PolarHBondContact O-N 3.05Å; D342-C346 PolarHBondContact O-N 3.37Å; D342-A382 VanDerWaalsContact CA-O 3.23Å; D342-A382 WeakPolarHBondContact CA-O 3.27Å; D342-A382 HydrophobicContact CB-CB 4.15Å; D342-A382 WeakPolarHBondContact CB-O 3.4Å
343	R	96	Very high	92	Very high	70 Å²	70	26.2 Å²	26.2	26%	0.264	14%	0.139	S	C	.	.	H	α-helix	trans	-54.2	-43.3	176.8	-72.7	174.6	61.7	-160	-0.2	112.6	E279 V282 E286 L339 S345 C346 A347	E279-R343 VanDerWaalsContact CD-NH1 3.25Å; E279-R343 IonicContact OE1-CZ 3.44Å; E279-R343 VanDerWaalsContact OE1-CZ 3.3Å; E279-R343 IonicContact OE1-NH1 2.85Å; E279-R343 PolarHBondContact OE1-NH1 3.49Å; E279-R343 IonicContact OE1-NH2 3.99Å; E279-R343 PolarHBondContact OE1-NH2 3.28Å; E279-R343 IonicContact OE2-CZ 3.71Å; E279-R343 IonicContact OE2-NH1 3.94Å; E279-R343 PolarHBondContact OE2-NH1 3.25Å; V282-R343 HydrophobicContact CG1-CB 3.45Å; V282-R343 VanDerWaalsContact CG1-CB 3.45Å; V282-R343 HydrophobicContact CG1-CG 4.41Å; E286-R343 IonicContact OE1-CZ 2.79Å; E286-R343 IonicContact OE1-NE 2.66Å; E286-R343 PolarHBondContact OE1-NE 3.12Å; E286-R343 IonicContact OE1-NH2 3.22Å; E286-R343 PolarHBondContact OE1-NH2 3.31Å; E286-R343 IonicContact OE2-CZ 2.64Å; E286-R343 IonicContact OE2-NE 2.65Å; E286-R343 IonicContact OE2-NH2 3.84Å; E286-R343 PolarHBondContact OE2-NH2 2.79Å; L339-R343 WeakPolarHBondContact O-CB 3.48Å; L339-R343 WeakPolarHBondContact O-CG 3.25Å; L339-R343 PolarHBondContact O-N 3.11Å; R343-S345 PolarHBondContact O-N 3.28Å; R343-C346 PolarHBondContact O-N 3.29Å; R343-A347 VanDerWaalsContact O-CB 3.25Å; R343-A347 WeakPolarHBondContact O-CB 3.24Å; R343-A347 PolarHBondContact O-N 3.41Å
344	L	95.4	Very high	92	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-41.3	175.5	-173.6	70	0	0	0	111.7	A285 L302 V303 L306 A340 D342 A347 V348 I353	A285-L344 HydrophobicContact CB-CD1 3.66Å; L302-L344 HydrophobicContact CD2-CD2 3.79Å; L302-L344 HydrophobicContact CG-CD2 4.37Å; V303-L344 HydrophobicContact CG2-CD2 4.4Å; L306-L344 HydrophobicContact CD1-CD2 4.49Å; A340-L344 WeakPolarHBondContact O-CB 3.26Å; A340-L344 PolarHBondContact O-N 3.5Å; D342-L344 VanDerWaalsContact C-N 3.28Å; D342-L344 PolarHBondContact O-N 3.16Å; L344-A347 PolarHBondContact O-N 3.22Å; L344-V348 HydrophobicContact CD1-CG1 4.28Å; L344-V348 HydrophobicContact CD1-CG2 4.32Å; L344-V348 HydrophobicContact CG-CG2 4.31Å; L344-V348 VanDerWaalsContact O-CG2 3.3Å; L344-V348 WeakPolarHBondContact O-CG2 3.25Å; L344-V348 PolarHBondContact O-N 3.44Å; L344-I353 HydrophobicContact CD2-CD1 4.4Å; L344-I353 HydrophobicContact CG-CD1 4.06Å
345	S	94.1	Very high	92	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-45.7	176.2	-177.4	0	0	0	0	112.1	L341 D342 R343 G349 C383 G386 S387	L341-S345 VanDerWaalsContact O-CB 3.25Å; L341-S345 WeakPolarHBondContact O-CB 3.43Å; L341-S345 PolarHBondContact O-N 3.17Å; D342-S345 WeakPolarHBondContact O-CA 3.22Å; D342-S345 VanDerWaalsContact O-CB 3.28Å; D342-S345 WeakPolarHBondContact O-CB 3.4Å; D342-S345 PolarHBondContact O-N 3.05Å; R343-S345 PolarHBondContact O-N 3.28Å; S345-G349 VanDerWaalsContact O-CA 3.28Å; S345-G349 WeakPolarHBondContact O-CA 3.31Å; S345-G349 PolarHBondContact O-N 3.31Å; S345-G349 VanDerWaalsContact O-N 3.15Å; S345-C383 PolarHBondContact OG-O 2.68Å; S345-G386 WeakPolarHBondContact OG-CA 3.34Å; S345-S387 PolarHBondContact OG-N 2.92Å; S345-S387 PolarHBondContact OG-OG 3.33Å
346	C	92	Very high	92.1	Very high	58 Å²	58	27.5 Å²	27.5	39%	0.392	14%	0.144	S	C	.	.	H	α-helix	trans	-65.9	-40.1	176.9	-67.8	0	0	0	0	111.9	D342 R343	D342-C346 PolarHBondContact O-N 3.37Å; R343-C346 PolarHBondContact O-N 3.29Å
347	A	90.4	Very high	92.1	Very high	18 Å²	18	26.7 Å²	26.7	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-75.3	-52	-174.9	0	0	0	0	0	114.8	A285 E286 P289 R343 L344	A285-A347 HydrophobicContact CB-CB 4Å; E286-A347 HydrophobicContact CB-CB 4.43Å; E286-A347 HydrophobicContact CG-CB 3.83Å; P289-A347 VanDerWaalsContact CB-O 3.32Å; P289-A347 WeakPolarHBondContact CB-O 3.48Å; R343-A347 VanDerWaalsContact O-CB 3.25Å; R343-A347 WeakPolarHBondContact O-CB 3.24Å; R343-A347 PolarHBondContact O-N 3.41Å; L344-A347 PolarHBondContact O-N 3.22Å
348	V	89.8	Confident	91.8	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-93.2	-13.1	-175.6	-57.3	0	0	0	0	113.7	A285 V292 R293 I299 L344 I353	A285-V348 HydrophobicContact CB-CG1 3.78Å; V292-V348 HydrophobicContact CB-CG1 4.18Å; V292-V348 HydrophobicContact CG1-CG1 3.99Å; R293-V348 WeakPolarHBondContact CD-O 3.33Å; R293-V348 HydrophobicContact CG-CB 4.02Å; R293-V348 PolarHBondContact NH1-O 2.82Å; I299-V348 HydrophobicContact CD1-CG2 4.4Å; L344-V348 HydrophobicContact CD1-CG1 4.28Å; L344-V348 HydrophobicContact CD1-CG2 4.32Å; L344-V348 HydrophobicContact CG-CG2 4.31Å; L344-V348 VanDerWaalsContact O-CG2 3.3Å; L344-V348 WeakPolarHBondContact O-CG2 3.25Å; L344-V348 PolarHBondContact O-N 3.44Å; V348-I353 HydrophobicContact CG2-CD1 3.78Å; V348-I353 HydrophobicContact CG2-CG1 4.43Å
349	G	81.7	Confident	91.7	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	18%	0.179	C	C	.	.			trans	82	162.4	-174.7	0	0	0	0	0	114.3	S345 Q351	S345-G349 VanDerWaalsContact O-CA 3.28Å; S345-G349 WeakPolarHBondContact O-CA 3.31Å; S345-G349 PolarHBondContact O-N 3.31Å; S345-G349 VanDerWaalsContact O-N 3.15Å; G349-Q351 PolarHBondContact O-N 2.99Å
350	G	79.5	Confident	91.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-72.5	-12.1	-166	0	0	0	0	0	118.4	H352 I353 L354 S387	G350-H352 PolarHBondContact O-N 2.75Å; G350-I353 PolarHBondContact O-N 2.86Å; G350-L354 WeakPolarHBondContact O-CA 3.48Å; G350-L354 WeakPolarHBondContact O-CB 3.39Å; G350-L354 WeakPolarHBondContact O-CG 3.37Å; G350-L354 PolarHBondContact O-N 2.89Å; G350-S387 WeakPolarHBondContact CA-OG 3.27Å
351	Q	85.4	Confident	91.7	Very high	92 Å²	92	34.6 Å²	34.6	43%	0.43	16%	0.164	S	C	.	.	H	α-helix	trans	-63.6	-50	-166	-176.3	59.1	54.2	0	0	114	G349 N355	G349-Q351 PolarHBondContact O-N 2.99Å; Q351-N355 PolarHBondContact NE2-OD1 3.1Å; Q351-N355 VanDerWaalsContact O-CG 3.22Å; Q351-N355 PolarHBondContact O-N 3.36Å; Q351-N355 PolarHBondContact O-OD1 2.98Å
352	H	86.6	Confident	91.5	Very high	55 Å²	55	37.5 Å²	37.5	26%	0.255	18%	0.183	S	C	.	.	H	α-helix	trans	-77.2	-35.5	-179.9	-70.3	-63	0	0	0	112.1	A296 I299 E300 G350 N355 E356	A296-H352 WeakPolarHBondContact CB-CE1 3.41Å; I299-H352 HydrophobicContact CB-CB 4.49Å; I299-H352 HydrophobicContact CG2-CB 4.04Å; E300-H352 HydrophobicContact CG-CB 4.39Å; E300-H352 IonicContact OE1-ND1 2.75Å; G350-H352 PolarHBondContact O-N 2.75Å; H352-N355 WeakPolarHBondContact O-CB 3.13Å; H352-N355 PolarHBondContact O-N 3.06Å; H352-E356 PolarHBondContact O-N 3.11Å
353	I	91.8	Very high	91.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-48.7	176.8	-65.8	165	0	0	0	110	I299 V303 L341 L344 V348 G350 N355 E356 I357 C383	I299-I353 HydrophobicContact CG2-CG1 4.04Å; V303-I353 HydrophobicContact CG2-CB 4.29Å; V303-I353 HydrophobicContact CG2-CG1 3.9Å; V303-I353 HydrophobicContact CG2-CG2 4.15Å; L341-I353 HydrophobicContact CD1-CG2 3.93Å; L344-I353 HydrophobicContact CD2-CD1 4.4Å; L344-I353 HydrophobicContact CG-CD1 4.06Å; V348-I353 HydrophobicContact CG2-CD1 3.78Å; V348-I353 HydrophobicContact CG2-CG1 4.43Å; G350-I353 PolarHBondContact O-N 2.86Å; I353-N355 VanDerWaalsContact C-N 3.26Å; I353-N355 PolarHBondContact O-N 3.36Å; I353-E356 PolarHBondContact O-N 3.15Å; I353-E356 VanDerWaalsContact O-N 3.12Å; I353-I357 HydrophobicContact CG2-CG1 4.08Å; I353-I357 WeakPolarHBondContact O-CG1 3.49Å; I353-I357 PolarHBondContact O-N 2.98Å; I353-C383 HydrophobicContact CG2-CB 4.32Å
354	L	91.8	Very high	91.6	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-27.1	177.6	-69.3	179.7	0	0	0	113.5	G350 E356 R358 Q390 M391	G350-L354 WeakPolarHBondContact O-CA 3.48Å; G350-L354 WeakPolarHBondContact O-CB 3.39Å; G350-L354 WeakPolarHBondContact O-CG 3.37Å; G350-L354 PolarHBondContact O-N 2.89Å; L354-E356 VanDerWaalsContact C-N 3.32Å; L354-R358 WeakPolarHBondContact O-CB 3.49Å; L354-R358 WeakPolarHBondContact O-CD 3.48Å; L354-R358 WeakPolarHBondContact O-CG 3.34Å; L354-R358 PolarHBondContact O-N 3.24Å; L354-Q390 HydrophobicContact CD1-CB 3.46Å; L354-Q390 VanDerWaalsContact CD1-CB 3.46Å; L354-Q390 HydrophobicContact CD1-CG 4.32Å; L354-M391 HydrophobicContact CD1-CG 3.99Å; L354-M391 HydrophobicContact CD2-CG 3.71Å; L354-M391 HydrophobicContact CD2-SD 3.88Å; L354-M391 HydrophobicContact CG-CG 4.49Å
355	N	92	Very high	91.7	Very high	56 Å²	56	38.3 Å²	38.3	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-59.7	-47.3	173.6	-72	-15.8	0	0	0	110.6	E300 Q351 H352 I353 R359	E300-N355 PolarHBondContact OE1-ND2 3.08Å; Q351-N355 PolarHBondContact NE2-OD1 3.1Å; Q351-N355 VanDerWaalsContact O-CG 3.22Å; Q351-N355 PolarHBondContact O-N 3.36Å; Q351-N355 PolarHBondContact O-OD1 2.98Å; H352-N355 WeakPolarHBondContact O-CB 3.13Å; H352-N355 PolarHBondContact O-N 3.06Å; I353-N355 VanDerWaalsContact C-N 3.26Å; I353-N355 PolarHBondContact O-N 3.36Å; N355-R359 WeakPolarHBondContact O-CB 3.29Å; N355-R359 PolarHBondContact O-N 2.89Å
356	E	94.3	Very high	91.7	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.023	23%	0.227	C	C	.	.	H	α-helix	trans	-72.7	-42.9	179.8	-174.4	57.8	-152.4	0	0	111.7	E300 V303 H352 I353 L354 R358 R359 S360	E300-E356 WeakPolarHBondContact O-CG 3.41Å; V303-E356 HydrophobicContact CB-CB 4Å; V303-E356 HydrophobicContact CB-CG 3.91Å; V303-E356 HydrophobicContact CG1-CB 3.78Å; V303-E356 HydrophobicContact CG1-CG 3.69Å; H352-E356 PolarHBondContact O-N 3.11Å; I353-E356 PolarHBondContact O-N 3.15Å; I353-E356 VanDerWaalsContact O-N 3.12Å; L354-E356 VanDerWaalsContact C-N 3.32Å; E356-R358 VanDerWaalsContact C-N 3.34Å; E356-R358 PolarHBondContact O-N 3.44Å; E356-R359 WeakPolarHBondContact O-CB 3.21Å; E356-R359 PolarHBondContact O-N 3.34Å; E356-R359 IonicContact OE1-CZ 3.71Å; E356-R359 IonicContact OE1-NE 2.72Å; E356-R359 PolarHBondContact OE1-NE 3.34Å; E356-R359 IonicContact OE1-NH2 2.87Å; E356-R359 PolarHBondContact OE1-NH2 3.48Å; E356-R359 IonicContact OE2-CZ 2.69Å; E356-R359 IonicContact OE2-NE 2.67Å; E356-R359 PolarHBondContact OE2-NE 3.49Å; E356-R359 IonicContact OE2-NH2 3.88Å; E356-R359 PolarHBondContact OE2-NH2 2.89Å; E356-S360 WeakPolarHBondContact O-CB 3.27Å; E356-S360 PolarHBondContact O-N 3.19Å; E356-S360 PolarHBondContact OE1-OG 3.22Å
357	I	94.4	Very high	92	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.062	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-48.4	175.1	-66.7	-63.1	0	0	0	110.6	V303 L307 L341 I353 R359 S360 V361 P362 A379	V303-I357 HydrophobicContact CG1-CD1 4.04Å; V303-I357 HydrophobicContact CG1-CG1 4.3Å; L307-I357 HydrophobicContact CD1-CD1 4.33Å; L307-I357 HydrophobicContact CD2-CD1 3.97Å; L341-I357 HydrophobicContact CD2-CD1 4.37Å; I353-I357 HydrophobicContact CG2-CG1 4.08Å; I353-I357 WeakPolarHBondContact O-CG1 3.49Å; I353-I357 PolarHBondContact O-N 2.98Å; I357-R359 PolarHBondContact O-N 3Å; I357-S360 PolarHBondContact O-N 2.48Å; I357-V361 HydrophobicContact CB-CG2 4.38Å; I357-V361 HydrophobicContact CD1-CG2 3.95Å; I357-V361 HydrophobicContact CG2-CB 4.26Å; I357-V361 HydrophobicContact CG2-CG2 3.82Å; I357-V361 VanDerWaalsContact O-CB 3.27Å; I357-V361 WeakPolarHBondContact O-CB 3.5Å; I357-V361 PolarHBondContact O-N 3.49Å; I357-P362 WeakPolarHBondContact O-CD 3.28Å; I357-A379 HydrophobicContact CD1-CB 4.1Å
358	R	92	Very high	92.3	Very high	106 Å²	106	50.1 Å²	50.1	40%	0.4	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-29	177.9	-73.1	171.5	-168.1	167.1	13.7	113	L354 E356 P362	L354-R358 WeakPolarHBondContact O-CB 3.49Å; L354-R358 WeakPolarHBondContact O-CD 3.48Å; L354-R358 WeakPolarHBondContact O-CG 3.34Å; L354-R358 PolarHBondContact O-N 3.24Å; E356-R358 VanDerWaalsContact C-N 3.34Å; E356-R358 PolarHBondContact O-N 3.44Å; R358-P362 WeakPolarHBondContact O-CD 3.21Å; R358-P362 WeakPolarHBondContact O-CG 3.27Å
359	R	93.5	Very high	92.6	Very high	162 Å²	162	53 Å²	53	61%	0.611	27%	0.27	S	S	*	.	H	α-helix	trans	-79.5	-42.9	179	-173.8	174.5	71.3	96.7	-7.5	112	N355 E356 I357 N363	N355-R359 WeakPolarHBondContact O-CB 3.29Å; N355-R359 PolarHBondContact O-N 2.89Å; E356-R359 WeakPolarHBondContact O-CB 3.21Å; E356-R359 PolarHBondContact O-N 3.34Å; E356-R359 IonicContact OE1-CZ 3.71Å; E356-R359 IonicContact OE1-NE 2.72Å; E356-R359 PolarHBondContact OE1-NE 3.34Å; E356-R359 IonicContact OE1-NH2 2.87Å; E356-R359 PolarHBondContact OE1-NH2 3.48Å; E356-R359 IonicContact OE2-CZ 2.69Å; E356-R359 IonicContact OE2-NE 2.67Å; E356-R359 PolarHBondContact OE2-NE 3.49Å; E356-R359 IonicContact OE2-NH2 3.88Å; E356-R359 PolarHBondContact OE2-NH2 2.89Å; I357-R359 PolarHBondContact O-N 3Å; R359-N363 PolarHBondContact O-ND2 2.82Å; R359-N363 VanDerWaalsContact O-ND2 3.14Å
360	S	95.2	Very high	93.4	Very high	27 Å²	27	54 Å²	54	19%	0.189	27%	0.272	C	S	.	.	H	α-helix	trans	-99.7	-43.7	-165.7	-69.5	0	0	0	0	112.8	E356 I357 N363 M364	E356-S360 WeakPolarHBondContact O-CB 3.27Å; E356-S360 PolarHBondContact O-N 3.19Å; E356-S360 PolarHBondContact OE1-OG 3.22Å; I357-S360 PolarHBondContact O-N 2.48Å; S360-N363 WeakPolarHBondContact O-CB 3.2Å; S360-N363 PolarHBondContact O-N 3.13Å; S360-N363 VanDerWaalsContact O-N 3.13Å; S360-M364 WeakPolarHBondContact O-CG 3.41Å; S360-M364 PolarHBondContact O-N 2.85Å; S360-M364 VanDerWaalsContact O-N 3.08Å
361	V	95.8	Very high	94.2	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-41.9	-174.2	173.6	0	0	0	0	113.7	L307 I357 N363 M364 L365 G376 A379 I380	L307-V361 HydrophobicContact CD1-CG2 4.5Å; L307-V361 HydrophobicContact CD2-CG2 4.25Å; I357-V361 HydrophobicContact CB-CG2 4.38Å; I357-V361 HydrophobicContact CD1-CG2 3.95Å; I357-V361 HydrophobicContact CG2-CB 4.26Å; I357-V361 HydrophobicContact CG2-CG2 3.82Å; I357-V361 VanDerWaalsContact O-CB 3.27Å; I357-V361 WeakPolarHBondContact O-CB 3.5Å; I357-V361 PolarHBondContact O-N 3.49Å; V361-N363 PolarHBondContact O-N 3.35Å; V361-M364 HydrophobicContact CG2-SD 4.44Å; V361-M364 WeakPolarHBondContact O-CA 3.46Å; V361-M364 WeakPolarHBondContact O-CB 3.41Å; V361-M364 PolarHBondContact O-N 3.37Å; V361-L365 HydrophobicContact CG1-CD1 3.89Å; V361-L365 HydrophobicContact CG1-CG 3.9Å; V361-L365 WeakPolarHBondContact O-CG 3.42Å; V361-L365 PolarHBondContact O-N 3.45Å; V361-G376 VanDerWaalsContact CG1-O 3.31Å; V361-G376 WeakPolarHBondContact CG1-O 3.43Å; V361-A379 HydrophobicContact CG2-CB 4.37Å; V361-I380 HydrophobicContact CG1-CD1 3.88Å; V361-I380 HydrophobicContact CG1-CG1 4.09Å
362	P	94.7	Very high	94.8	Very high	60 Å²	60	56.9 Å²	56.9	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-57.2	-35.7	176.6	-28.1	36.5	0	0	0	113.7	I357 R358 Q366	I357-P362 WeakPolarHBondContact O-CD 3.28Å; R358-P362 WeakPolarHBondContact O-CD 3.21Å; R358-P362 WeakPolarHBondContact O-CG 3.27Å; P362-Q366 WeakPolarHBondContact O-CG 3.48Å; P362-Q366 PolarHBondContact O-N 2.94Å
363	N	95.6	Very high	95.3	Very high	110 Å²	110	55.5 Å²	55.5	59%	0.588	27%	0.273	S	S	*	.	H	α-helix	trans	-73.5	-37.9	175.8	-66.5	-53.2	0	0	0	111.4	R359 S360 V361 Q366 H367	R359-N363 PolarHBondContact O-ND2 2.82Å; R359-N363 VanDerWaalsContact O-ND2 3.14Å; S360-N363 WeakPolarHBondContact O-CB 3.2Å; S360-N363 PolarHBondContact O-N 3.13Å; S360-N363 VanDerWaalsContact O-N 3.13Å; V361-N363 PolarHBondContact O-N 3.35Å; N363-Q366 PolarHBondContact O-N 2.58Å; N363-H367 PolarHBondContact O-N 2.65Å; N363-H367 VanDerWaalsContact O-N 3.14Å
364	M	97.7	Very high	95.6	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-46.5	175.3	-67.3	174.6	75	0	0	111.6	L307 S360 V361 Q366 H367 R372 R373 A375	L307-M364 HydrophobicContact CB-CE 4.12Å; L307-M364 HydrophobicContact CB-SD 4.05Å; L307-M364 HydrophobicContact CD1-SD 4.06Å; L307-M364 HydrophobicContact CD2-CE 4.34Å; L307-M364 HydrophobicContact CD2-SD 4.14Å; L307-M364 HydrophobicContact CG-SD 4.32Å; S360-M364 WeakPolarHBondContact O-CG 3.41Å; S360-M364 PolarHBondContact O-N 2.85Å; S360-M364 VanDerWaalsContact O-N 3.08Å; V361-M364 HydrophobicContact CG2-SD 4.44Å; V361-M364 WeakPolarHBondContact O-CA 3.46Å; V361-M364 WeakPolarHBondContact O-CB 3.41Å; V361-M364 PolarHBondContact O-N 3.37Å; M364-Q366 PolarHBondContact O-N 3.27Å; M364-H367 WeakPolarHBondContact O-CB 3.44Å; M364-H367 PolarHBondContact O-N 3.08Å; M364-R372 HydrophobicContact CB-CB 4.47Å; M364-R372 WeakPolarHBondContact CB-O 3.42Å; M364-R373 WeakPolarHBondContact O-CG 3.07Å; M364-A375 HydrophobicContact CE-CB 3.54Å
365	L	97	Very high	95.9	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-24.1	178.9	-65.8	179.7	0	0	0	113.8	V361 R373 L377 I380 A401 R405	V361-L365 HydrophobicContact CG1-CD1 3.89Å; V361-L365 HydrophobicContact CG1-CG 3.9Å; V361-L365 WeakPolarHBondContact O-CG 3.42Å; V361-L365 PolarHBondContact O-N 3.45Å; L365-R373 VanDerWaalsContact O-CD 3.24Å; L365-R373 WeakPolarHBondContact O-CD 3.43Å; L365-L377 HydrophobicContact CD2-CD2 3.96Å; L365-L377 HydrophobicContact CD2-CG 3.74Å; L365-I380 HydrophobicContact CD1-CD1 4.3Å; L365-A401 HydrophobicContact CD1-CB 4Å; L365-R405 PolarHBondContact O-NH1 3.23Å
366	Q	95.3	Very high	96.2	Very high	157 Å²	157	54 Å²	54	73%	0.734	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-4	176.7	-66.2	178.7	22.4	0	0	113.2	P362 N363 M364	P362-Q366 WeakPolarHBondContact O-CG 3.48Å; P362-Q366 PolarHBondContact O-N 2.94Å; N363-Q366 PolarHBondContact O-N 2.58Å; M364-Q366 PolarHBondContact O-N 3.27Å
367	H	97.1	Very high	96.3	Very high	72 Å²	72	53.7 Å²	53.7	33%	0.333	26%	0.262	S	S	.	.			trans	-71.3	149	-174.4	-163.3	-92.2	0	0	0	112.2	N363 M364 D369 R372 R373	N363-H367 PolarHBondContact O-N 2.65Å; N363-H367 VanDerWaalsContact O-N 3.14Å; M364-H367 WeakPolarHBondContact O-CB 3.44Å; M364-H367 PolarHBondContact O-N 3.08Å; H367-D369 WeakPolarHBondContact ND1-CB 3.09Å; H367-D369 PolarHBondContact ND1-N 3.31Å; H367-R372 HydrophobicContact CB-CB 4.01Å; H367-R373 WeakPolarHBondContact O-CD 2.99Å; H367-R373 WeakPolarHBondContact O-CG 3.44Å; H367-R373 PolarHBondContact O-NH1 2.71Å
368	A	96.9	Very high	96.5	Very high	96 Å²	96	53.4 Å²	53.4	79%	0.793	26%	0.261	S	S	*	.	S	Bend	trans	-68.6	-38.4	-179.7	0	0	0	0	0	112.5	W370 R373	A368-W370 PolarHBondContact O-N 2.93Å; A368-R373 PolarHBondContact O-NH1 3.41Å
369	D	96.8	Very high	96.7	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	24%	0.242	S	C	.	.	S	Bend	trans	-65	124.2	171.7	-169.6	-8.2	0	0	0	110.6	H367 K371 R372 R373	H367-D369 WeakPolarHBondContact ND1-CB 3.09Å; H367-D369 PolarHBondContact ND1-N 3.31Å; D369-K371 VanDerWaalsContact C-N 3.28Å; D369-K371 PolarHBondContact O-N 2.92Å; D369-K371 PolarHBondContact OD1-N 3.41Å; D369-R372 HydrophobicContact CB-CG 4.35Å; D369-R372 PolarHBondContact O-N 3.28Å; D369-R373 PolarHBondContact O-N 3.27Å; D369-R373 PolarHBondContact O-NH1 3.03Å
370	W	97	Very high	96.9	Very high	25 Å²	25	41.1 Å²	41.1	10%	0.095	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-30.1	-179.2	73.5	-101.3	0	0	0	111.7	V313 E315 A368 R372 R373 Y374 H410 R412 V413	V313-W370 HydrophobicContact CB-CH2 4.41Å; V313-W370 HydrophobicContact CG1-CH2 3.98Å; V313-W370 HydrophobicContact CG1-CZ3 4.48Å; E315-W370 VanDerWaalsContact OE2-CE2 3.23Å; E315-W370 VanDerWaalsContact OE2-CZ2 3.23Å; E315-W370 WeakPolarHBondContact OE2-CZ2 3.4Å; E315-W370 PolarHBondContact OE2-NE1 3.08Å; A368-W370 PolarHBondContact O-N 2.93Å; W370-R372 VanDerWaalsContact C-N 3.27Å; W370-R372 PolarHBondContact O-N 3.42Å; W370-R373 PolarHBondContact O-N 3.08Å; W370-Y374 HydrophobicContact CZ3-CD2 4.43Å; W370-Y374 HydrophobicContact CZ3-CG 4.29Å; W370-Y374 WeakPolarHBondContact O-CB 3.09Å; W370-Y374 PolarHBondContact O-N 3.37Å; W370-H410 HydrophobicContact CB-CB 3.74Å; W370-H410 AromaticContact CD1-CD2 3.53Å; W370-H410 AromaticContact CD1-NE2 3.54Å; W370-H410 AromaticContact CD2-CD2 3.92Å; W370-H410 AromaticContact CD2-CE1 3.32Å; W370-H410 AromaticContact CD2-CG 3.82Å; W370-H410 AromaticContact CD2-ND1 3.45Å; W370-H410 AromaticContact CD2-NE2 3.64Å; W370-H410 AromaticContact CE2-CE1 3.42Å; W370-H410 VanDerWaalsContact CE2-CE1 3.42Å; W370-H410 AromaticContact CE2-NE2 3.54Å; W370-H410 AromaticContact CE3-CE1 3.6Å; W370-H410 AromaticContact CE3-ND1 3.49Å; W370-H410 HydrophobicContact CG-CB 4.27Å; W370-H410 AromaticContact CG-CD2 3.5Å; W370-H410 VanDerWaalsContact CG-CD2 3.5Å; W370-H410 AromaticContact CG-CE1 3.78Å; W370-H410 AromaticContact CG-CG 3.55Å; W370-H410 AromaticContact CG-ND1 3.72Å; W370-H410 AromaticContact CG-NE2 3.67Å; W370-H410 AromaticContact CZ2-CE1 3.81Å; W370-H410 AromaticContact CZ3-CE1 3.98Å; W370-H410 AromaticContact NE1-CD2 3.92Å; W370-H410 AromaticContact NE1-CE1 3.8Å; W370-H410 AromaticContact NE1-NE2 3.42Å; W370-H410 PolarHBondContact NE1-NE2 3.46Å; W370-R412 HydrophobicContact CE3-CB 4.03Å; W370-R412 HydrophobicContact CH2-CB 4.23Å; W370-R412 VanDerWaalsContact CH2-CD 3.4Å; W370-R412 HydrophobicContact CH2-CG 4.36Å; W370-R412 HydrophobicContact CZ3-CB 3.58Å; W370-R412 HydrophobicContact CZ3-CG 4.19Å; W370-V413 HydrophobicContact CB-CG2 3.92Å; W370-V413 HydrophobicContact CE3-CG2 4.28Å; W370-V413 WeakPolarHBondContact O-CG2 3.45Å
371	K	97.4	Very high	96.9	Very high	53 Å²	53	40.1 Å²	40.1	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-37.8	-179.8	-60.1	-175.2	-178.2	-161.6	0	111.6	S311 V313 D369 Y374 A375	S311-K371 WeakPolarHBondContact O-CB 3.19Å; V313-K371 VanDerWaalsContact O-CD 3.28Å; V313-K371 WeakPolarHBondContact O-CD 3.24Å; V313-K371 WeakPolarHBondContact O-CE 3.31Å; V313-K371 PolarHBondContact O-NZ 3.49Å; D369-K371 VanDerWaalsContact C-N 3.28Å; D369-K371 PolarHBondContact O-N 2.92Å; D369-K371 PolarHBondContact OD1-N 3.41Å; K371-Y374 WeakPolarHBondContact O-CB 3.49Å; K371-Y374 PolarHBondContact O-N 3.48Å; K371-A375 WeakPolarHBondContact O-CB 3.39Å; K371-A375 PolarHBondContact O-N 3.08Å
372	R	97.5	Very high	96.9	Very high	101 Å²	101	40.2 Å²	40.2	38%	0.381	21%	0.209	S	C	.	.	H	α-helix	trans	-69.1	-38.8	173.6	-63.2	-163.5	-176.3	-146.8	-8.6	112.5	M364 H367 D369 W370 Y374 G376	M364-R372 HydrophobicContact CB-CB 4.47Å; M364-R372 WeakPolarHBondContact CB-O 3.42Å; H367-R372 HydrophobicContact CB-CB 4.01Å; D369-R372 HydrophobicContact CB-CG 4.35Å; D369-R372 PolarHBondContact O-N 3.28Å; W370-R372 VanDerWaalsContact C-N 3.27Å; W370-R372 PolarHBondContact O-N 3.42Å; R372-Y374 VanDerWaalsContact C-N 3.33Å; R372-G376 PolarHBondContact O-N 3.16Å
373	R	98.3	Very high	96.9	Very high	25 Å²	25	37.3 Å²	37.3	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-41.1	175.5	-61.6	-162.2	-59.1	-72.4	-2.4	111.1	M364 L365 H367 A368 D369 W370 L377 D408 V413	M364-R373 WeakPolarHBondContact O-CG 3.07Å; L365-R373 VanDerWaalsContact O-CD 3.24Å; L365-R373 WeakPolarHBondContact O-CD 3.43Å; H367-R373 WeakPolarHBondContact O-CD 2.99Å; H367-R373 WeakPolarHBondContact O-CG 3.44Å; H367-R373 PolarHBondContact O-NH1 2.71Å; A368-R373 PolarHBondContact O-NH1 3.41Å; D369-R373 PolarHBondContact O-N 3.27Å; D369-R373 PolarHBondContact O-NH1 3.03Å; W370-R373 PolarHBondContact O-N 3.08Å; R373-L377 WeakPolarHBondContact O-CG 2.65Å; R373-L377 PolarHBondContact O-N 3.31Å; R373-D408 IonicContact CZ-OD1 3.69Å; R373-D408 IonicContact CZ-OD2 3.32Å; R373-D408 IonicContact NE-OD1 3.32Å; R373-D408 PolarHBondContact NE-OD1 3.49Å; R373-D408 IonicContact NE-OD2 3.46Å; R373-D408 PolarHBondContact NE-OD2 3.5Å; R373-D408 IonicContact NH2-OD1 3.87Å; R373-D408 PolarHBondContact NH2-OD1 3.41Å; R373-D408 IonicContact NH2-OD2 2.97Å; R373-V413 HydrophobicContact CB-CG1 3.92Å; R373-V413 HydrophobicContact CB-CG2 3.93Å
374	Y	97.4	Very high	96.8	Very high	28 Å²	28	32.1 Å²	32.1	11%	0.11	16%	0.162	C	C	.	.	H	α-helix	trans	-58	-57.1	172.8	173.8	-85.4	0	0	0	111	V313 W370 K371 R372 G376 L377 M378 R412 A416	V313-Y374 HydrophobicContact CG2-CD1 3.86Å; V313-Y374 HydrophobicContact CG2-CE1 3.71Å; W370-Y374 HydrophobicContact CZ3-CD2 4.43Å; W370-Y374 HydrophobicContact CZ3-CG 4.29Å; W370-Y374 WeakPolarHBondContact O-CB 3.09Å; W370-Y374 PolarHBondContact O-N 3.37Å; K371-Y374 WeakPolarHBondContact O-CB 3.49Å; K371-Y374 PolarHBondContact O-N 3.48Å; R372-Y374 VanDerWaalsContact C-N 3.33Å; Y374-G376 VanDerWaalsContact C-N 3.26Å; Y374-G376 PolarHBondContact O-N 2.85Å; Y374-L377 WeakPolarHBondContact O-CB 3.22Å; Y374-L377 PolarHBondContact O-N 3.12Å; Y374-M378 HydrophobicContact CD1-CG 4.06Å; Y374-M378 HydrophobicContact CE1-CG 3.55Å; Y374-M378 HydrophobicContact CE2-CG 4.22Å; Y374-M378 HydrophobicContact CE2-SD 4.43Å; Y374-M378 PolarHBondContact O-N 2.92Å; Y374-R412 HydrophobicContact CD2-CB 4.18Å; Y374-R412 WeakPolarHBondContact CD2-O 3.39Å; Y374-A416 HydrophobicContact CD2-CB 3.57Å; Y374-A416 HydrophobicContact CE2-CB 3.82Å; Y374-A416 HydrophobicContact CG-CB 4.29Å
375	A	97.7	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-39.3	-179.7	0	0	0	0	0	112.6	M310 S311 M364 K371 L377 M378 A379	M310-A375 HydrophobicContact CB-CB 3.82Å; M310-A375 WeakPolarHBondContact O-CB 3.38Å; S311-A375 VanDerWaalsContact OG-CB 3.26Å; S311-A375 WeakPolarHBondContact OG-CB 3.5Å; M364-A375 HydrophobicContact CE-CB 3.54Å; K371-A375 WeakPolarHBondContact O-CB 3.39Å; K371-A375 PolarHBondContact O-N 3.08Å; A375-L377 VanDerWaalsContact C-N 3.27Å; A375-L377 PolarHBondContact O-N 3.06Å; A375-M378 PolarHBondContact O-N 2.77Å; A375-A379 VanDerWaalsContact O-CB 3.23Å; A375-A379 WeakPolarHBondContact O-CB 2.99Å; A375-A379 PolarHBondContact O-N 2.88Å
376	G	97.8	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-28.2	176.4	0	0	0	0	0	114	V361 R372 Y374 I380	V361-G376 VanDerWaalsContact CG1-O 3.31Å; V361-G376 WeakPolarHBondContact CG1-O 3.43Å; R372-G376 PolarHBondContact O-N 3.16Å; Y374-G376 VanDerWaalsContact C-N 3.26Å; Y374-G376 PolarHBondContact O-N 2.85Å; G376-I380 WeakPolarHBondContact O-CG1 3.48Å
377	L	98.2	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-79.6	-46.8	175.4	-70.6	162.5	0	0	0	111.2	L365 R373 Y374 A375 A379 I380 S381 V402 R405 V413 A416 A417	L365-L377 HydrophobicContact CD2-CD2 3.96Å; L365-L377 HydrophobicContact CD2-CG 3.74Å; R373-L377 WeakPolarHBondContact O-CG 2.65Å; R373-L377 PolarHBondContact O-N 3.31Å; Y374-L377 WeakPolarHBondContact O-CB 3.22Å; Y374-L377 PolarHBondContact O-N 3.12Å; A375-L377 VanDerWaalsContact C-N 3.27Å; A375-L377 PolarHBondContact O-N 3.06Å; L377-A379 PolarHBondContact O-N 3.29Å; L377-I380 WeakPolarHBondContact O-CB 3.44Å; L377-I380 PolarHBondContact O-N 2.82Å; L377-S381 PolarHBondContact O-N 3.13Å; L377-S381 VanDerWaalsContact O-N 3.1Å; L377-S381 PolarHBondContact O-OG 3.27Å; L377-V402 HydrophobicContact CD2-CB 4.36Å; L377-V402 HydrophobicContact CD2-CG1 3.99Å; L377-V402 HydrophobicContact CD2-CG2 4.11Å; L377-R405 HydrophobicContact CD1-CB 3.97Å; L377-R405 HydrophobicContact CD1-CG 4.22Å; L377-R405 HydrophobicContact CD2-CB 4.24Å; L377-R405 HydrophobicContact CD2-CG 4.1Å; L377-V413 HydrophobicContact CD1-CG1 3.72Å; L377-V413 WeakPolarHBondContact CD1-O 3.42Å; L377-A416 HydrophobicContact CB-CB 3.85Å; L377-A416 HydrophobicContact CD1-CB 3.93Å; L377-A417 HydrophobicContact CD1-CB 3.96Å; L377-A417 HydrophobicContact CD2-CB 4.37Å
378	M	97.1	Very high	95.5	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.03	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-35.6	176.6	-60.4	-48	-64.9	0	0	111.3	M310 E338 Y374 A375 I380 S381 A382 A416 N419	M310-M378 HydrophobicContact CE-CB 3.54Å; E338-M378 WeakPolarHBondContact OE1-CE 3.38Å; E338-M378 VanDerWaalsContact OE2-CE 3.23Å; E338-M378 WeakPolarHBondContact OE2-CE 3.24Å; Y374-M378 HydrophobicContact CD1-CG 4.06Å; Y374-M378 HydrophobicContact CE1-CG 3.55Å; Y374-M378 HydrophobicContact CE2-CG 4.22Å; Y374-M378 HydrophobicContact CE2-SD 4.43Å; Y374-M378 PolarHBondContact O-N 2.92Å; A375-M378 PolarHBondContact O-N 2.77Å; M378-I380 VanDerWaalsContact C-N 3.3Å; M378-I380 PolarHBondContact O-N 3.16Å; M378-S381 WeakPolarHBondContact O-CB 3.24Å; M378-S381 PolarHBondContact O-N 2.84Å; M378-S381 VanDerWaalsContact O-N 3.14Å; M378-A382 WeakPolarHBondContact O-CB 3.48Å; M378-A382 PolarHBondContact O-N 2.93Å; M378-A416 HydrophobicContact CG-CB 4.24Å; M378-A416 HydrophobicContact SD-CB 3.68Å; M378-N419 HydrophobicContact SD-CB 4.35Å
379	A	97.4	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-30.9	174.4	0	0	0	0	0	113.7	L307 M310 L341 I357 V361 A375 L377 C383	L307-A379 HydrophobicContact CD2-CB 3.32Å; M310-A379 HydrophobicContact CE-CB 4.08Å; M310-A379 VanDerWaalsContact CE-N 3.35Å; M310-A379 HydrophobicContact SD-CB 4.13Å; L341-A379 HydrophobicContact CD2-CB 3.9Å; I357-A379 HydrophobicContact CD1-CB 4.1Å; V361-A379 HydrophobicContact CG2-CB 4.37Å; A375-A379 VanDerWaalsContact O-CB 3.23Å; A375-A379 WeakPolarHBondContact O-CB 2.99Å; A375-A379 PolarHBondContact O-N 2.88Å; L377-A379 PolarHBondContact O-N 3.29Å; A379-C383 PolarHBondContact O-N 2.87Å; A379-C383 PolarHBondContact O-SG 3.02Å
380	I	96.5	Very high	94.6	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.051	13%	0.134	C	C	.	.	H	α-helix	trans	-70.1	-39.9	172.7	-68.9	167.8	0	0	0	110	V361 L365 G376 L377 M378 S384 M391 I398 V402 M424	V361-I380 HydrophobicContact CG1-CD1 3.88Å; V361-I380 HydrophobicContact CG1-CG1 4.09Å; L365-I380 HydrophobicContact CD1-CD1 4.3Å; G376-I380 WeakPolarHBondContact O-CG1 3.48Å; L377-I380 WeakPolarHBondContact O-CB 3.44Å; L377-I380 PolarHBondContact O-N 2.82Å; M378-I380 VanDerWaalsContact C-N 3.3Å; M378-I380 PolarHBondContact O-N 3.16Å; I380-S384 PolarHBondContact O-N 2.78Å; I380-M391 HydrophobicContact CG2-CE 4.05Å; I380-I398 HydrophobicContact CG2-CG2 3.88Å; I380-V402 HydrophobicContact CD1-CG2 3.74Å; I380-V402 HydrophobicContact CG2-CG2 4.37Å; I380-M424 HydrophobicContact CG2-SD 4.04Å
381	S	96	Very high	94.5	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-52.1	173.6	-50	0	0	0	0	111.1	L377 M378 C383 S384 N419 S420	L377-S381 PolarHBondContact O-N 3.13Å; L377-S381 VanDerWaalsContact O-N 3.1Å; L377-S381 PolarHBondContact O-OG 3.27Å; M378-S381 WeakPolarHBondContact O-CB 3.24Å; M378-S381 PolarHBondContact O-N 2.84Å; M378-S381 VanDerWaalsContact O-N 3.14Å; S381-C383 VanDerWaalsContact C-N 3.32Å; S381-C383 PolarHBondContact O-N 3.2Å; S381-S384 PolarHBondContact O-N 3.23Å; S381-S384 PolarHBondContact O-OG 3.47Å; S381-N419 PolarHBondContact OG-OD1 3.3Å; S381-S420 WeakPolarHBondContact OG-CA 3.4Å; S381-S420 WeakPolarHBondContact OG-CB 3.41Å; S381-S420 PolarHBondContact OG-N 2.88Å
382	A	95.3	Very high	94.2	Very high	6 Å²	6	27.7 Å²	27.7	5%	0.05	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-35.6	-175.4	0	0	0	0	0	112.5	E338 L341 D342 M378	E338-A382 HydrophobicContact CG-CB 4.06Å; L341-A382 HydrophobicContact CB-CB 4.25Å; L341-A382 HydrophobicContact CD2-CB 4.08Å; L341-A382 HydrophobicContact CG-CB 4.16Å; D342-A382 VanDerWaalsContact CA-O 3.23Å; D342-A382 WeakPolarHBondContact CA-O 3.27Å; D342-A382 HydrophobicContact CB-CB 4.15Å; D342-A382 WeakPolarHBondContact CB-O 3.4Å; M378-A382 WeakPolarHBondContact O-CB 3.48Å; M378-A382 PolarHBondContact O-N 2.93Å
383	C	95.4	Very high	93.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-88.2	-5.7	-179.9	76	0	0	0	0	114.6	S345 I353 A379 S381 E385 S387 M391	S345-C383 PolarHBondContact OG-O 2.68Å; I353-C383 HydrophobicContact CG2-CB 4.32Å; A379-C383 PolarHBondContact O-N 2.87Å; A379-C383 PolarHBondContact O-SG 3.02Å; S381-C383 VanDerWaalsContact C-N 3.32Å; S381-C383 PolarHBondContact O-N 3.2Å; C383-E385 PolarHBondContact O-N 3.45Å; C383-S387 WeakPolarHBondContact O-CB 3.26Å; C383-S387 PolarHBondContact O-N 3.37Å; C383-S387 PolarHBondContact O-OG 3.3Å; C383-M391 VanDerWaalsContact SG-SD 3.65Å
384	S	93.4	Very high	93.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.8	-34.3	-170	47.9	0	0	0	0	114.1	I380 S381 S388 D427	I380-S384 PolarHBondContact O-N 2.78Å; S381-S384 PolarHBondContact O-N 3.23Å; S381-S384 PolarHBondContact O-OG 3.47Å; S384-S388 WeakPolarHBondContact O-CA 3.2Å; S384-S388 VanDerWaalsContact O-CB 3.31Å; S384-S388 WeakPolarHBondContact O-CB 3.47Å; S384-S388 PolarHBondContact O-N 2.96Å; S384-S388 VanDerWaalsContact O-N 3.17Å; S384-D427 VanDerWaalsContact CB-OD2 3.28Å; S384-D427 WeakPolarHBondContact CB-OD2 3.4Å; S384-D427 PolarHBondContact OG-OD2 2.54Å
385	E	91.3	Very high	93.3	Very high	108 Å²	108	28.3 Å²	28.3	51%	0.505	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-65.1	177	-175	172.6	165.8	0	0	111.2	C383 S387 S388 D427	C383-E385 PolarHBondContact O-N 3.45Å; E385-S387 PolarHBondContact O-N 3.38Å; E385-S387 VanDerWaalsContact O-N 3.16Å; E385-S388 VanDerWaalsContact O-CB 3.24Å; E385-S388 WeakPolarHBondContact O-CB 3.35Å; E385-S388 PolarHBondContact O-N 3.41Å; E385-S388 VanDerWaalsContact O-N 3.12Å; E385-S388 PolarHBondContact O-OG 3.42Å; E385-S388 VanDerWaalsContact O-OG 3.11Å; E385-D427 PolarHBondContact N-OD2 3.2Å
386	G	88.6	Confident	93.1	Very high	20 Å²	20	29.5 Å²	29.5	21%	0.206	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.1	-176.9	0	0	0	0	0	115.8	S345	S345-G386 WeakPolarHBondContact OG-CA 3.34Å
387	S	90.6	Very high	92.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	17.1	176.2	-54.5	0	0	0	0	113.5	S345 G350 C383 E385 K389 Q390 M391	S345-S387 PolarHBondContact OG-N 2.92Å; S345-S387 PolarHBondContact OG-OG 3.33Å; G350-S387 WeakPolarHBondContact CA-OG 3.27Å; C383-S387 WeakPolarHBondContact O-CB 3.26Å; C383-S387 PolarHBondContact O-N 3.37Å; C383-S387 PolarHBondContact O-OG 3.3Å; E385-S387 PolarHBondContact O-N 3.38Å; E385-S387 VanDerWaalsContact O-N 3.16Å; S387-K389 PolarHBondContact O-N 2.91Å; S387-Q390 PolarHBondContact O-N 3.47Å; S387-Q390 PolarHBondContact O-OE1 3.04Å; S387-M391 WeakPolarHBondContact O-CB 3.41Å; S387-M391 WeakPolarHBondContact O-CG 3.44Å; S387-M391 PolarHBondContact O-N 3.16Å
388	S	88.9	Confident	92.8	Very high	38 Å²	38	34.6 Å²	34.6	27%	0.266	20%	0.196	S	C	.	.	H	α-helix	trans	-55	-53.4	-167.8	55.9	0	0	0	0	112.9	S384 E385 Q390 M391 E392	S384-S388 WeakPolarHBondContact O-CA 3.2Å; S384-S388 VanDerWaalsContact O-CB 3.31Å; S384-S388 WeakPolarHBondContact O-CB 3.47Å; S384-S388 PolarHBondContact O-N 2.96Å; S384-S388 VanDerWaalsContact O-N 3.17Å; E385-S388 VanDerWaalsContact O-CB 3.24Å; E385-S388 WeakPolarHBondContact O-CB 3.35Å; E385-S388 PolarHBondContact O-N 3.41Å; E385-S388 VanDerWaalsContact O-N 3.12Å; E385-S388 PolarHBondContact O-OG 3.42Å; E385-S388 VanDerWaalsContact O-OG 3.11Å; S388-Q390 VanDerWaalsContact C-N 3.32Å; S388-Q390 PolarHBondContact O-N 2.85Å; S388-M391 PolarHBondContact O-N 3.2Å; S388-M391 VanDerWaalsContact O-N 3.15Å; S388-E392 WeakPolarHBondContact O-CG 3.46Å; S388-E392 PolarHBondContact O-N 3.11Å
389	K	86	Confident	92.7	Very high	120 Å²	120	34.4 Å²	34.4	52%	0.522	20%	0.196	S	C	.	.	H	α-helix	trans	-50.8	-46.5	179.2	-71.9	175.2	179.8	164.8	0	112.6	S387 E825	S387-K389 PolarHBondContact O-N 2.91Å; K389-E825 IonicContact NZ-OE1 2.7Å; K389-E825 PolarHBondContact NZ-OE1 2.79Å; K389-E825 IonicContact NZ-OE2 3.61Å; K389-E825 PolarHBondContact NZ-OE2 3.44Å
390	Q	89.9	Confident	92.6	Very high	51 Å²	51	40.4 Å²	40.4	24%	0.238	23%	0.228	C	C	.	.	H	α-helix	trans	-76.5	-39.7	-179.1	-62.8	83.7	-1.8	0	0	111.8	L354 S387 S388 T393	L354-Q390 HydrophobicContact CD1-CB 3.46Å; L354-Q390 VanDerWaalsContact CD1-CB 3.46Å; L354-Q390 HydrophobicContact CD1-CG 4.32Å; S387-Q390 PolarHBondContact O-N 3.47Å; S387-Q390 PolarHBondContact O-OE1 3.04Å; S388-Q390 VanDerWaalsContact C-N 3.32Å; S388-Q390 PolarHBondContact O-N 2.85Å; Q390-T393 PolarHBondContact O-N 3.44Å; Q390-T393 PolarHBondContact O-OG1 3.37Å
391	M	93.2	Very high	92.5	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-34.5	-179.8	-74.4	-179.2	71.5	0	0	112.4	L354 I380 C383 S387 S388 T393 M394 L395 I398 F428	L354-M391 HydrophobicContact CD1-CG 3.99Å; L354-M391 HydrophobicContact CD2-CG 3.71Å; L354-M391 HydrophobicContact CD2-SD 3.88Å; L354-M391 HydrophobicContact CG-CG 4.49Å; I380-M391 HydrophobicContact CG2-CE 4.05Å; C383-M391 VanDerWaalsContact SG-SD 3.65Å; S387-M391 WeakPolarHBondContact O-CB 3.41Å; S387-M391 WeakPolarHBondContact O-CG 3.44Å; S387-M391 PolarHBondContact O-N 3.16Å; S388-M391 PolarHBondContact O-N 3.2Å; S388-M391 VanDerWaalsContact O-N 3.15Å; M391-T393 PolarHBondContact O-N 2.91Å; M391-T393 VanDerWaalsContact O-N 3.13Å; M391-M394 CarbonylContact O-C 3.57Å; M391-M394 VanDerWaalsContact O-CG 3.31Å; M391-M394 WeakPolarHBondContact O-CG 3.49Å; M391-M394 PolarHBondContact O-N 3.03Å; M391-L395 PolarHBondContact O-N 2.92Å; M391-I398 HydrophobicContact CB-CD1 3.86Å; M391-I398 HydrophobicContact CE-CD1 3.6Å; M391-I398 HydrophobicContact CG-CD1 4.07Å; M391-F428 HydrophobicContact CB-CE1 3.73Å; M391-F428 HydrophobicContact CB-CZ 3.52Å; M391-F428 HydrophobicContact CE-CZ 4.04Å; M391-F428 HydrophobicContact CG-CZ 4.44Å; M391-F428 HydrophobicContact SD-CZ 4.21Å
392	E	91	Very high	92.6	Very high	59 Å²	59	41.6 Å²	41.6	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-55.6	-33.1	175.9	-81	-163.7	159.3	0	0	113	S388 M394 L395 F428 K431	S388-E392 WeakPolarHBondContact O-CG 3.46Å; S388-E392 PolarHBondContact O-N 3.11Å; E392-M394 PolarHBondContact O-N 3.33Å; E392-L395 PolarHBondContact O-N 3.24Å; E392-F428 HydrophobicContact CG-CD1 3.59Å; E392-F428 HydrophobicContact CG-CE1 4.08Å; E392-K431 HydrophobicContact CB-CD 4.49Å; E392-K431 VanDerWaalsContact CD-CD 3.47Å; E392-K431 HydrophobicContact CG-CD 4.17Å; E392-K431 WeakPolarHBondContact OE1-CD 3.38Å; E392-K431 WeakPolarHBondContact OE2-CD 3.4Å; E392-K431 IonicContact OE2-NZ 3.1Å; E392-K431 PolarHBondContact OE2-NZ 2.66Å
393	T	90.1	Very high	92.7	Very high	115 Å²	115	42.5 Å²	42.5	71%	0.706	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.9	178.6	70.7	0	0	0	0	113.3	Q390 M391	Q390-T393 PolarHBondContact O-N 3.44Å; Q390-T393 PolarHBondContact O-OG1 3.37Å; M391-T393 PolarHBondContact O-N 2.91Å; M391-T393 VanDerWaalsContact O-N 3.13Å
394	M	91.3	Very high	92.8	Very high	48 Å²	48	45.7 Å²	45.7	24%	0.236	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	19	-179.5	57.9	-170.2	70.6	0	0	113.2	M391 E392 G396 S397 I398	M391-M394 CarbonylContact O-C 3.57Å; M391-M394 VanDerWaalsContact O-CG 3.31Å; M391-M394 WeakPolarHBondContact O-CG 3.49Å; M391-M394 PolarHBondContact O-N 3.03Å; E392-M394 PolarHBondContact O-N 3.33Å; M394-G396 PolarHBondContact O-N 3.27Å; M394-G396 VanDerWaalsContact O-N 3.14Å; M394-S397 WeakPolarHBondContact O-CB 3.43Å; M394-S397 PolarHBondContact O-N 3.16Å; M394-I398 HydrophobicContact CG-CD1 3.79Å; M394-I398 HydrophobicContact CG-CG1 4.23Å; M394-I398 PolarHBondContact O-N 3.38Å; M394-I398 VanDerWaalsContact O-N 3.07Å
395	L	93.3	Very high	93	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-52.3	-41.4	-175.6	-176.1	59.3	0	0	0	112.5	M391 E392 S397 I398 L399 F428 L432	M391-L395 PolarHBondContact O-N 2.92Å; E392-L395 PolarHBondContact O-N 3.24Å; L395-S397 PolarHBondContact O-N 3.11Å; L395-I398 PolarHBondContact O-N 2.92Å; L395-L399 HydrophobicContact CD1-CD1 4.38Å; L395-L399 HydrophobicContact CD1-CG 4.39Å; L395-L399 HydrophobicContact CG-CD1 4.11Å; L395-L399 WeakPolarHBondContact O-CG 3.22Å; L395-L399 PolarHBondContact O-N 2.89Å; L395-F428 HydrophobicContact CD1-CD2 3.6Å; L395-F428 HydrophobicContact CD1-CE2 3.88Å; L395-F428 HydrophobicContact CD1-CG 4.14Å; L395-F428 HydrophobicContact CD2-CB 4.42Å; L395-L432 HydrophobicContact CD1-CD1 4.19Å; L395-L432 HydrophobicContact CD2-CB 3.96Å; L395-L432 HydrophobicContact CD2-CD1 4.43Å; L395-L432 HydrophobicContact CD2-CG 4.24Å
396	G	94.1	Very high	93.3	Very high	25 Å²	25	43.9 Å²	43.9	26%	0.258	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-45.8	176.1	0	0	0	0	0	113.1	M394 I398 L399 D400	M394-G396 PolarHBondContact O-N 3.27Å; M394-G396 VanDerWaalsContact O-N 3.14Å; G396-I398 VanDerWaalsContact C-N 3.32Å; G396-I398 PolarHBondContact O-N 3.49Å; G396-L399 PolarHBondContact O-N 3.3Å; G396-D400 PolarHBondContact O-N 3.45Å
397	S	93.5	Very high	93.7	Very high	84 Å²	84	46.9 Å²	46.9	59%	0.587	27%	0.271	S	S	*	.	H	α-helix	trans	-65.8	-34.8	178	-57.4	0	0	0	0	112.6	M394 L395 A401	M394-S397 WeakPolarHBondContact O-CB 3.43Å; M394-S397 PolarHBondContact O-N 3.16Å; L395-S397 PolarHBondContact O-N 3.11Å; S397-A401 PolarHBondContact O-N 3.39Å
398	I	94.9	Very high	94.1	Very high	22 Å²	22	47.2 Å²	47.2	11%	0.113	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-47.8	176.1	-63.9	163.4	0	0	0	109.3	I380 M391 M394 L395 G396 D400 A401 V402 M424	I380-I398 HydrophobicContact CG2-CG2 3.88Å; M391-I398 HydrophobicContact CB-CD1 3.86Å; M391-I398 HydrophobicContact CE-CD1 3.6Å; M391-I398 HydrophobicContact CG-CD1 4.07Å; M394-I398 HydrophobicContact CG-CD1 3.79Å; M394-I398 HydrophobicContact CG-CG1 4.23Å; M394-I398 PolarHBondContact O-N 3.38Å; M394-I398 VanDerWaalsContact O-N 3.07Å; L395-I398 PolarHBondContact O-N 2.92Å; G396-I398 VanDerWaalsContact C-N 3.32Å; G396-I398 PolarHBondContact O-N 3.49Å; I398-D400 VanDerWaalsContact C-N 3.31Å; I398-D400 PolarHBondContact O-N 2.87Å; I398-A401 WeakPolarHBondContact O-CA 3.45Å; I398-A401 WeakPolarHBondContact O-CB 3.43Å; I398-A401 PolarHBondContact O-N 3.01Å; I398-V402 HydrophobicContact CG2-CG2 4.17Å; I398-V402 WeakPolarHBondContact O-CG2 3.42Å; I398-V402 PolarHBondContact O-N 3.43Å; I398-M424 HydrophobicContact CG2-SD 3.63Å
399	L	96.5	Very high	94.5	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-37.5	177.5	-70.8	171.8	0	0	0	112.3	L395 G396 A401 V402 L403 M424 H436 V440	L395-L399 HydrophobicContact CD1-CD1 4.38Å; L395-L399 HydrophobicContact CD1-CG 4.39Å; L395-L399 HydrophobicContact CG-CD1 4.11Å; L395-L399 WeakPolarHBondContact O-CG 3.22Å; L395-L399 PolarHBondContact O-N 2.89Å; G396-L399 PolarHBondContact O-N 3.3Å; L399-A401 PolarHBondContact O-N 3.27Å; L399-V402 PolarHBondContact O-N 2.79Å; L399-L403 HydrophobicContact CB-CD1 4.19Å; L399-L403 HydrophobicContact CB-CG 4.38Å; L399-L403 HydrophobicContact CD2-CG 4.38Å; L399-L403 WeakPolarHBondContact O-CB 3.39Å; L399-L403 VanDerWaalsContact O-CG 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.42Å; L399-L403 PolarHBondContact O-N 3.11Å; L399-M424 HydrophobicContact CD2-CE 3.87Å; L399-H436 HydrophobicContact CD1-CB 3.61Å; L399-H436 VanDerWaalsContact CD1-CD2 3.48Å; L399-H436 WeakPolarHBondContact CD1-CD2 3.36Å; L399-H436 VanDerWaalsContact CD1-CG 3.49Å; L399-V440 HydrophobicContact CD1-CG2 4.14Å; L399-V440 HydrophobicContact CD2-CG2 4.04Å
400	D	95.2	Very high	95	Very high	126 Å²	126	47 Å²	47	67%	0.674	28%	0.28	S	S	*	.	H	α-helix	trans	-61.8	-26.9	173.9	-77.1	-17.1	0	0	0	112.7	G396 I398 P404	G396-D400 PolarHBondContact O-N 3.45Å; I398-D400 VanDerWaalsContact C-N 3.31Å; I398-D400 PolarHBondContact O-N 2.87Å; D400-P404 VanDerWaalsContact O-CD 3.27Å; D400-P404 WeakPolarHBondContact O-CD 3.37Å; D400-P404 VanDerWaalsContact O-CG 3.29Å; D400-P404 WeakPolarHBondContact O-CG 3.48Å
401	A	94.8	Very high	95.3	Very high	41 Å²	41	45.8 Å²	45.8	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-85.2	-39.6	175.2	0	0	0	0	0	112.7	L365 S397 I398 L399	L365-A401 HydrophobicContact CD1-CB 4Å; S397-A401 PolarHBondContact O-N 3.39Å; I398-A401 WeakPolarHBondContact O-CA 3.45Å; I398-A401 WeakPolarHBondContact O-CB 3.43Å; I398-A401 PolarHBondContact O-N 3.01Å; L399-A401 PolarHBondContact O-N 3.27Å
402	V	97.2	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-80.8	-50.7	-174.2	174.7	0	0	0	0	112.3	L377 I380 I398 L399 P404 R405 V421 M424	L377-V402 HydrophobicContact CD2-CB 4.36Å; L377-V402 HydrophobicContact CD2-CG1 3.99Å; L377-V402 HydrophobicContact CD2-CG2 4.11Å; I380-V402 HydrophobicContact CD1-CG2 3.74Å; I380-V402 HydrophobicContact CG2-CG2 4.37Å; I398-V402 HydrophobicContact CG2-CG2 4.17Å; I398-V402 WeakPolarHBondContact O-CG2 3.42Å; I398-V402 PolarHBondContact O-N 3.43Å; L399-V402 PolarHBondContact O-N 2.79Å; V402-P404 VanDerWaalsContact C-CD 3.46Å; V402-P404 VanDerWaalsContact C-N 3.35Å; V402-R405 VanDerWaalsContact O-CB 3.26Å; V402-R405 WeakPolarHBondContact O-CB 3.49Å; V402-R405 PolarHBondContact O-N 2.92Å; V402-V421 HydrophobicContact CG1-CG2 3.74Å; V402-M424 HydrophobicContact CB-CE 4.12Å; V402-M424 HydrophobicContact CG1-CE 3.9Å; V402-M424 HydrophobicContact CG2-CE 4.04Å
403	L	97.8	Very high	95.7	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.136	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.4	-39	-172	-66.6	177.3	0	0	0	113.8	L399 R405 L406 V421 A443	L399-L403 HydrophobicContact CB-CD1 4.19Å; L399-L403 HydrophobicContact CB-CG 4.38Å; L399-L403 HydrophobicContact CD2-CG 4.38Å; L399-L403 WeakPolarHBondContact O-CB 3.39Å; L399-L403 VanDerWaalsContact O-CG 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.42Å; L399-L403 PolarHBondContact O-N 3.11Å; L403-R405 PolarHBondContact O-N 3.21Å; L403-R405 VanDerWaalsContact O-N 3.15Å; L403-L406 HydrophobicContact CD2-CD1 3.93Å; L403-L406 WeakPolarHBondContact O-CB 3.42Å; L403-L406 WeakPolarHBondContact O-CG 3.44Å; L403-L406 PolarHBondContact O-N 2.96Å; L403-L406 VanDerWaalsContact O-N 3.16Å; L403-V421 HydrophobicContact CD2-CG2 3.89Å; L403-A443 HydrophobicContact CD2-CB 4.05Å
404	P	97.1	Very high	96.1	Very high	66 Å²	66	39.9 Å²	39.9	43%	0.429	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-62.7	-20	175.6	-24.8	36.2	0	0	0	114.5	D400 V402 L406 S407	D400-P404 VanDerWaalsContact O-CD 3.27Å; D400-P404 WeakPolarHBondContact O-CD 3.37Å; D400-P404 VanDerWaalsContact O-CG 3.29Å; D400-P404 WeakPolarHBondContact O-CG 3.48Å; V402-P404 VanDerWaalsContact C-CD 3.46Å; V402-P404 VanDerWaalsContact C-N 3.35Å; P404-L406 VanDerWaalsContact C-N 3.31Å; P404-S407 PolarHBondContact O-N 2.64Å
405	R	97.8	Very high	96.4	Very high	65 Å²	65	39.3 Å²	39.3	25%	0.245	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-77.2	-14.8	178.2	-57.7	-59.5	89.8	161.6	0.9	113	L365 L377 V402 L403 S407 D408 V413 A417	L365-R405 PolarHBondContact O-NH1 3.23Å; L377-R405 HydrophobicContact CD1-CB 3.97Å; L377-R405 HydrophobicContact CD1-CG 4.22Å; L377-R405 HydrophobicContact CD2-CB 4.24Å; L377-R405 HydrophobicContact CD2-CG 4.1Å; V402-R405 VanDerWaalsContact O-CB 3.26Å; V402-R405 WeakPolarHBondContact O-CB 3.49Å; V402-R405 PolarHBondContact O-N 2.92Å; L403-R405 PolarHBondContact O-N 3.21Å; L403-R405 VanDerWaalsContact O-N 3.15Å; R405-S407 PolarHBondContact O-N 2.99Å; R405-S407 VanDerWaalsContact O-N 3.08Å; R405-D408 VanDerWaalsContact O-CB 3.25Å; R405-D408 WeakPolarHBondContact O-CB 3.46Å; R405-D408 PolarHBondContact O-N 3.47Å; R405-V413 HydrophobicContact CB-CG1 4.37Å; R405-A417 HydrophobicContact CB-CB 3.78Å
406	L	98.1	Very high	96.6	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-60.2	-18.5	170.3	-67.1	169.6	0	0	0	112.8	L403 P404 R414 A417 A443 T447	L403-L406 HydrophobicContact CD2-CD1 3.93Å; L403-L406 WeakPolarHBondContact O-CB 3.42Å; L403-L406 WeakPolarHBondContact O-CG 3.44Å; L403-L406 PolarHBondContact O-N 2.96Å; L403-L406 VanDerWaalsContact O-N 3.16Å; P404-L406 VanDerWaalsContact C-N 3.31Å; L406-R414 WeakPolarHBondContact O-CD 3.45Å; L406-R414 WeakPolarHBondContact O-CG 3.44Å; L406-A417 HydrophobicContact CD2-CB 3.8Å; L406-A417 HydrophobicContact CG-CB 4.15Å; L406-A443 HydrophobicContact CD1-CB 3.77Å; L406-T447 HydrophobicContact CD2-CG2 4.33Å
407	S	97	Very high	96.8	Very high	83 Å²	83	37.9 Å²	37.9	58%	0.58	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-113.6	23.2	174.1	-60.1	0	0	0	0	113	P404 R405	P404-S407 PolarHBondContact O-N 2.64Å; R405-S407 PolarHBondContact O-N 2.99Å; R405-S407 VanDerWaalsContact O-N 3.08Å
408	D	98.2	Very high	97	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.043	19%	0.192	C	C	.	.			trans	-60.3	146.7	176.7	-165.6	-85.9	0	0	0	111.6	R373 R405 H410 V413 R414	R373-D408 IonicContact CZ-OD1 3.69Å; R373-D408 IonicContact CZ-OD2 3.32Å; R373-D408 IonicContact NE-OD1 3.32Å; R373-D408 PolarHBondContact NE-OD1 3.49Å; R373-D408 IonicContact NE-OD2 3.46Å; R373-D408 PolarHBondContact NE-OD2 3.5Å; R373-D408 IonicContact NH2-OD1 3.87Å; R373-D408 PolarHBondContact NH2-OD1 3.41Å; R373-D408 IonicContact NH2-OD2 2.97Å; R405-D408 VanDerWaalsContact O-CB 3.25Å; R405-D408 WeakPolarHBondContact O-CB 3.46Å; R405-D408 PolarHBondContact O-N 3.47Å; D408-H410 PolarHBondContact O-N 3.48Å; D408-H410 PolarHBondContact OD1-N 3.01Å; D408-V413 HydrophobicContact CB-CB 3.86Å; D408-V413 HydrophobicContact CB-CG1 3.58Å; D408-R414 HydrophobicContact CB-CG 4.06Å; D408-R414 WeakPolarHBondContact O-CD 3.35Å; D408-R414 VanDerWaalsContact O-CG 3.28Å; D408-R414 WeakPolarHBondContact O-CG 3.26Å
409	P	96.6	Very high	97.1	Very high	122 Å²	122	34.8 Å²	34.8	79%	0.792	20%	0.197	S	C	*	.	S	Bend	trans	-59.3	-28.3	176	-25.9	35	0	0	0	114.4
410	H	96.9	Very high	97.2	Very high	31 Å²	31	34.7 Å²	34.7	14%	0.144	20%	0.197	C	C	.	.	S	Bend	trans	-93.8	129	-177.4	-161.2	-87.8	0	0	0	111.4	E315 W370 D408 R412 V413 R414	E315-H410 IonicContact OE1-NE2 3.56Å; E315-H410 IonicContact OE2-NE2 2.82Å; W370-H410 HydrophobicContact CB-CB 3.74Å; W370-H410 AromaticContact CD1-CD2 3.53Å; W370-H410 AromaticContact CD1-NE2 3.54Å; W370-H410 AromaticContact CD2-CD2 3.92Å; W370-H410 AromaticContact CD2-CE1 3.32Å; W370-H410 AromaticContact CD2-CG 3.82Å; W370-H410 AromaticContact CD2-ND1 3.45Å; W370-H410 AromaticContact CD2-NE2 3.64Å; W370-H410 AromaticContact CE2-CE1 3.42Å; W370-H410 VanDerWaalsContact CE2-CE1 3.42Å; W370-H410 AromaticContact CE2-NE2 3.54Å; W370-H410 AromaticContact CE3-CE1 3.6Å; W370-H410 AromaticContact CE3-ND1 3.49Å; W370-H410 HydrophobicContact CG-CB 4.27Å; W370-H410 AromaticContact CG-CD2 3.5Å; W370-H410 VanDerWaalsContact CG-CD2 3.5Å; W370-H410 AromaticContact CG-CE1 3.78Å; W370-H410 AromaticContact CG-CG 3.55Å; W370-H410 AromaticContact CG-ND1 3.72Å; W370-H410 AromaticContact CG-NE2 3.67Å; W370-H410 AromaticContact CZ2-CE1 3.81Å; W370-H410 AromaticContact CZ3-CE1 3.98Å; W370-H410 AromaticContact NE1-CD2 3.92Å; W370-H410 AromaticContact NE1-CE1 3.8Å; W370-H410 AromaticContact NE1-NE2 3.42Å; W370-H410 PolarHBondContact NE1-NE2 3.46Å; D408-H410 PolarHBondContact O-N 3.48Å; D408-H410 PolarHBondContact OD1-N 3.01Å; H410-R412 PolarHBondContact ND1-N 2.94Å; H410-R412 PolarHBondContact O-N 2.87Å; H410-V413 HydrophobicContact CB-CB 4.26Å; H410-V413 HydrophobicContact CB-CG2 3.86Å; H410-V413 PolarHBondContact O-N 3.07Å; H410-V413 VanDerWaalsContact O-N 3.11Å; H410-R414 PolarHBondContact O-N 2.88Å; H410-R414 VanDerWaalsContact O-N 3.16Å
411	P	96.5	Very high	97.3	Very high	25 Å²	25	28.8 Å²	28.8	16%	0.162	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-35.7	-173.4	30.8	-37.9	0	0	0	113.2	W319 A320 V413 R414 Y415 V452 V455	W319-P411 HydrophobicContact CE3-CB 4.45Å; W319-P411 HydrophobicContact CE3-CG 4.38Å; W319-P411 HydrophobicContact CZ3-CB 3.88Å; W319-P411 HydrophobicContact CZ3-CG 4.28Å; A320-P411 HydrophobicContact CB-CG 4.38Å; P411-V413 VanDerWaalsContact C-N 3.27Å; P411-V413 PolarHBondContact O-N 3.44Å; P411-R414 PolarHBondContact O-N 3.37Å; P411-Y415 PolarHBondContact O-N 3.46Å; P411-V452 HydrophobicContact CB-CB 4.48Å; P411-V452 HydrophobicContact CB-CG1 4.25Å; P411-V452 HydrophobicContact CB-CG2 3.98Å; P411-V455 HydrophobicContact CB-CG2 4.21Å; P411-V455 VanDerWaalsContact O-CG2 3.28Å; P411-V455 WeakPolarHBondContact O-CG2 3.48Å
412	R	96.1	Very high	97.5	Very high	8 Å²	8	26.9 Å²	26.9	3%	0.03	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-33	171.6	-76.6	-171.8	156.6	-172.7	-12.7	113.1	V313 D314 E316 W319 E326 W370 Y374 H410 Y415 A416	V313-R412 VanDerWaalsContact CG1-NH1 3.28Å; D314-R412 PolarHBondContact O-NH1 3.24Å; E316-R412 IonicContact OE1-CZ 2.84Å; E316-R412 IonicContact OE1-NH1 3.68Å; E316-R412 IonicContact OE1-NH2 3.42Å; E316-R412 PolarHBondContact OE1-NH2 2.88Å; E316-R412 IonicContact OE2-NH2 3.71Å; W319-R412 VanDerWaalsContact CD1-CZ 3.44Å; W319-R412 HydrophobicContact CD2-CG 3.78Å; W319-R412 HydrophobicContact CE3-CG 3.99Å; W319-R412 HydrophobicContact CG-CG 4.42Å; W319-R412 HydrophobicContact CH2-CG 4.07Å; W319-R412 HydrophobicContact CZ2-CG 3.81Å; W319-R412 HydrophobicContact CZ3-CG 4.15Å; W319-R412 VanDerWaalsContact NE1-NE 3.14Å; E326-R412 IonicContact OE1-CZ 3.2Å; E326-R412 IonicContact OE1-NE 3.57Å; E326-R412 IonicContact OE1-NH2 3.55Å; E326-R412 PolarHBondContact OE1-NH2 2.83Å; W370-R412 HydrophobicContact CE3-CB 4.03Å; W370-R412 HydrophobicContact CH2-CB 4.23Å; W370-R412 VanDerWaalsContact CH2-CD 3.4Å; W370-R412 HydrophobicContact CH2-CG 4.36Å; W370-R412 HydrophobicContact CZ3-CB 3.58Å; W370-R412 HydrophobicContact CZ3-CG 4.19Å; Y374-R412 HydrophobicContact CD2-CB 4.18Å; Y374-R412 WeakPolarHBondContact CD2-O 3.39Å; H410-R412 PolarHBondContact ND1-N 2.94Å; H410-R412 PolarHBondContact O-N 2.87Å; R412-Y415 WeakPolarHBondContact O-CB 3.38Å; R412-Y415 PolarHBondContact O-N 2.89Å; R412-A416 PolarHBondContact O-N 3.3Å
413	V	97.9	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-72.2	-38.1	176.8	-179.7	0	0	0	0	110.9	W370 R373 L377 R405 D408 H410 P411 Y415 A416 A417	W370-V413 HydrophobicContact CB-CG2 3.92Å; W370-V413 HydrophobicContact CE3-CG2 4.28Å; W370-V413 WeakPolarHBondContact O-CG2 3.45Å; R373-V413 HydrophobicContact CB-CG1 3.92Å; R373-V413 HydrophobicContact CB-CG2 3.93Å; L377-V413 HydrophobicContact CD1-CG1 3.72Å; L377-V413 WeakPolarHBondContact CD1-O 3.42Å; R405-V413 HydrophobicContact CB-CG1 4.37Å; D408-V413 HydrophobicContact CB-CB 3.86Å; D408-V413 HydrophobicContact CB-CG1 3.58Å; H410-V413 HydrophobicContact CB-CB 4.26Å; H410-V413 HydrophobicContact CB-CG2 3.86Å; H410-V413 PolarHBondContact O-N 3.07Å; H410-V413 VanDerWaalsContact O-N 3.11Å; P411-V413 VanDerWaalsContact C-N 3.27Å; P411-V413 PolarHBondContact O-N 3.44Å; V413-Y415 VanDerWaalsContact C-N 3.32Å; V413-A416 PolarHBondContact O-N 3.03Å; V413-A417 WeakPolarHBondContact O-CB 3.44Å; V413-A417 PolarHBondContact O-N 3.28Å
414	R	98.3	Very high	97.5	Very high	46 Å²	46	28.5 Å²	28.5	17%	0.174	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-39.6	172.3	-63.4	-174	-68	-177	14	111.7	L406 D408 H410 P411 A417 C418 D450 V455	L406-R414 WeakPolarHBondContact O-CD 3.45Å; L406-R414 WeakPolarHBondContact O-CG 3.44Å; D408-R414 HydrophobicContact CB-CG 4.06Å; D408-R414 WeakPolarHBondContact O-CD 3.35Å; D408-R414 VanDerWaalsContact O-CG 3.28Å; D408-R414 WeakPolarHBondContact O-CG 3.26Å; H410-R414 PolarHBondContact O-N 2.88Å; H410-R414 VanDerWaalsContact O-N 3.16Å; P411-R414 PolarHBondContact O-N 3.37Å; R414-A417 PolarHBondContact O-N 2.92Å; R414-C418 PolarHBondContact O-N 2.88Å; R414-C418 PolarHBondContact O-SG 2.98Å; R414-C418 VanDerWaalsContact O-SG 3.38Å; R414-D450 WeakPolarHBondContact CD-OD2 3.15Å; R414-D450 VanDerWaalsContact CZ-CG 3.48Å; R414-D450 IonicContact CZ-OD1 2.84Å; R414-D450 IonicContact CZ-OD2 3.57Å; R414-D450 IonicContact NE-OD2 3.21Å; R414-D450 PolarHBondContact NE-OD2 2.9Å; R414-D450 IonicContact NH1-OD1 2.79Å; R414-D450 IonicContact NH1-OD2 3.59Å; R414-D450 PolarHBondContact NH1-OD2 3.04Å; R414-D450 IonicContact NH2-OD1 3.59Å; R414-D450 PolarHBondContact NH2-OD1 3.48Å; R414-D450 IonicContact NH2-OD2 2.88Å; R414-D450 PolarHBondContact NH2-OD2 3.35Å; R414-D450 VanDerWaalsContact NH2-OD2 3.16Å; R414-V455 HydrophobicContact CB-CG1 3.74Å; R414-V455 HydrophobicContact CB-CG2 4.19Å
415	Y	97	Very high	97.5	Very high	36 Å²	36	25.4 Å²	25.4	14%	0.141	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-51.3	174.3	178	-84.2	0	0	0	111.9	W319 P411 R412 V413 A417 C418 N419 R454 N458	W319-Y415 HydrophobicContact CH2-CD2 4.02Å; W319-Y415 AromaticContact CH2-CG 3.97Å; W319-Y415 HydrophobicContact CH2-CG 3.97Å; W319-Y415 HydrophobicContact CZ2-CD1 4.48Å; W319-Y415 HydrophobicContact CZ2-CD2 4.02Å; W319-Y415 AromaticContact CZ2-CG 3.96Å; W319-Y415 HydrophobicContact CZ2-CG 3.96Å; P411-Y415 PolarHBondContact O-N 3.46Å; R412-Y415 WeakPolarHBondContact O-CB 3.38Å; R412-Y415 PolarHBondContact O-N 2.89Å; V413-Y415 VanDerWaalsContact C-N 3.32Å; Y415-A417 PolarHBondContact O-N 3.36Å; Y415-C418 WeakPolarHBondContact O-CA 3.46Å; Y415-C418 WeakPolarHBondContact O-CB 3.17Å; Y415-C418 PolarHBondContact O-N 3.3Å; Y415-N419 PolarHBondContact O-N 3.21Å; Y415-R454 HydrophobicContact CD2-CB 4.32Å; Y415-N458 HydrophobicContact CD2-CB 3.57Å; Y415-N458 HydrophobicContact CE2-CB 3.59Å; Y415-N458 WeakPolarHBondContact CE2-ND2 3.28Å; Y415-N458 HydrophobicContact CG-CB 4.41Å; Y415-N458 PolarHBondContact O-ND2 2.81Å
416	A	97.4	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-33.3	175.9	0	0	0	0	0	112.4	Y374 L377 M378 R412 V413 N419 S420	Y374-A416 HydrophobicContact CD2-CB 3.57Å; Y374-A416 HydrophobicContact CE2-CB 3.82Å; Y374-A416 HydrophobicContact CG-CB 4.29Å; L377-A416 HydrophobicContact CB-CB 3.85Å; L377-A416 HydrophobicContact CD1-CB 3.93Å; M378-A416 HydrophobicContact CG-CB 4.24Å; M378-A416 HydrophobicContact SD-CB 3.68Å; R412-A416 PolarHBondContact O-N 3.3Å; V413-A416 PolarHBondContact O-N 3.03Å; A416-N419 PolarHBondContact O-N 2.87Å; A416-S420 WeakPolarHBondContact O-CB 3.48Å; A416-S420 PolarHBondContact O-N 2.96Å
417	A	98.5	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.4	-37	174.9	0	0	0	0	0	111.9	L377 R405 L406 V413 R414 Y415 V421	L377-A417 HydrophobicContact CD1-CB 3.96Å; L377-A417 HydrophobicContact CD2-CB 4.37Å; R405-A417 HydrophobicContact CB-CB 3.78Å; L406-A417 HydrophobicContact CD2-CB 3.8Å; L406-A417 HydrophobicContact CG-CB 4.15Å; V413-A417 WeakPolarHBondContact O-CB 3.44Å; V413-A417 PolarHBondContact O-N 3.28Å; R414-A417 PolarHBondContact O-N 2.92Å; Y415-A417 PolarHBondContact O-N 3.36Å; A417-V421 VanDerWaalsContact O-CG2 3.25Å; A417-V421 WeakPolarHBondContact O-CG2 3.33Å; A417-V421 PolarHBondContact O-N 2.94Å
418	C	98.4	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.1	-48.1	171.3	-66.5	0	0	0	0	111.2	R414 Y415 S420 V421 G422 N458 A462	R414-C418 PolarHBondContact O-N 2.88Å; R414-C418 PolarHBondContact O-SG 2.98Å; R414-C418 VanDerWaalsContact O-SG 3.38Å; Y415-C418 WeakPolarHBondContact O-CA 3.46Å; Y415-C418 WeakPolarHBondContact O-CB 3.17Å; Y415-C418 PolarHBondContact O-N 3.3Å; C418-S420 PolarHBondContact O-N 3.23Å; C418-V421 PolarHBondContact O-N 3.45Å; C418-G422 PolarHBondContact O-N 3.02Å; C418-N458 HydrophobicContact CB-CB 3.95Å; C418-A462 WeakPolarHBondContact O-CB 3.31Å
419	N	96.9	Very high	96.9	Very high	41 Å²	41	21.7 Å²	21.7	22%	0.219	12%	0.121	C	C	.	.	H	α-helix	trans	-55.6	-51.8	177.6	176.7	-72.1	0	0	0	110.6	M378 S381 Y415 A416 V421 G422 Q423 N458	M378-N419 HydrophobicContact SD-CB 4.35Å; S381-N419 PolarHBondContact OG-OD1 3.3Å; Y415-N419 PolarHBondContact O-N 3.21Å; A416-N419 PolarHBondContact O-N 2.87Å; N419-V421 PolarHBondContact O-N 3.04Å; N419-G422 WeakPolarHBondContact O-CA 3.28Å; N419-G422 PolarHBondContact O-N 3.46Å; N419-Q423 PolarHBondContact O-N 3.04Å; N419-N458 PolarHBondContact N-ND2 2.87Å
420	S	97.8	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-42.6	178.2	-173.9	0	0	0	0	113.2	S381 A416 C418 G422 M424	S381-S420 WeakPolarHBondContact OG-CA 3.4Å; S381-S420 WeakPolarHBondContact OG-CB 3.41Å; S381-S420 PolarHBondContact OG-N 2.88Å; A416-S420 WeakPolarHBondContact O-CB 3.48Å; A416-S420 PolarHBondContact O-N 2.96Å; C418-S420 PolarHBondContact O-N 3.23Å; S420-G422 VanDerWaalsContact C-N 3.34Å; S420-G422 PolarHBondContact O-N 3.1Å; S420-M424 VanDerWaalsContact O-CB 3.27Å; S420-M424 WeakPolarHBondContact O-CB 3.36Å; S420-M424 WeakPolarHBondContact O-CE 3.49Å; S420-M424 WeakPolarHBondContact O-CG 3.29Å; S420-M424 PolarHBondContact O-N 2.83Å
421	V	98.3	Very high	96.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-39	175	173.6	0	0	0	0	111.9	V402 L403 A417 C418 N419 M424 A425 V440 L444	V402-V421 HydrophobicContact CG1-CG2 3.74Å; L403-V421 HydrophobicContact CD2-CG2 3.89Å; A417-V421 VanDerWaalsContact O-CG2 3.25Å; A417-V421 WeakPolarHBondContact O-CG2 3.33Å; A417-V421 PolarHBondContact O-N 2.94Å; C418-V421 PolarHBondContact O-N 3.45Å; N419-V421 PolarHBondContact O-N 3.04Å; V421-M424 HydrophobicContact CG2-CE 4.27Å; V421-A425 WeakPolarHBondContact O-CB 3.33Å; V421-A425 PolarHBondContact O-N 3.35Å; V421-V440 HydrophobicContact CG1-CG1 3.7Å; V421-L444 HydrophobicContact CB-CD2 4.34Å; V421-L444 HydrophobicContact CG1-CD1 3.93Å; V421-L444 HydrophobicContact CG1-CD2 3.87Å; V421-L444 HydrophobicContact CG1-CG 4.08Å
422	G	97.7	Very high	96.7	Very high	2 Å²	2	20.1 Å²	20.1	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-51.7	176.5	0	0	0	0	0	112.1	C418 N419 S420 M424 A425 T426 N465	C418-G422 PolarHBondContact O-N 3.02Å; N419-G422 WeakPolarHBondContact O-CA 3.28Å; N419-G422 PolarHBondContact O-N 3.46Å; S420-G422 VanDerWaalsContact C-N 3.34Å; S420-G422 PolarHBondContact O-N 3.1Å; G422-M424 PolarHBondContact O-N 2.95Å; G422-A425 WeakPolarHBondContact O-CA 3.31Å; G422-A425 WeakPolarHBondContact O-CB 3.49Å; G422-A425 PolarHBondContact O-N 2.85Å; G422-T426 PolarHBondContact O-N 3.38Å; G422-T426 VanDerWaalsContact O-N 3.13Å; G422-N465 WeakPolarHBondContact O-CB 3.35Å
423	Q	97.5	Very high	96.8	Very high	60 Å²	60	19.7 Å²	19.7	28%	0.28	10%	0.103	S	C	.	.	H	α-helix	trans	-59.7	-47.9	178.9	-167.3	60.8	37.4	0	0	111.4	N419 A425 T426 D427	N419-Q423 PolarHBondContact O-N 3.04Å; Q423-A425 PolarHBondContact O-N 2.82Å; Q423-T426 WeakPolarHBondContact O-CA 3.49Å; Q423-T426 WeakPolarHBondContact O-CB 3.42Å; Q423-T426 PolarHBondContact O-N 3.21Å; Q423-D427 WeakPolarHBondContact CG-OD2 3.21Å; Q423-D427 PolarHBondContact NE2-OD1 3.26Å; Q423-D427 PolarHBondContact NE2-OD2 3.32Å; Q423-D427 VanDerWaalsContact O-CG 3.3Å; Q423-D427 PolarHBondContact O-N 3.35Å
424	M	97.1	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-32.9	174.5	-72.4	-166.9	-68.9	0	0	112.9	I380 I398 L399 V402 S420 V421 G422 F428 L432	I380-M424 HydrophobicContact CG2-SD 4.04Å; I398-M424 HydrophobicContact CG2-SD 3.63Å; L399-M424 HydrophobicContact CD2-CE 3.87Å; V402-M424 HydrophobicContact CB-CE 4.12Å; V402-M424 HydrophobicContact CG1-CE 3.9Å; V402-M424 HydrophobicContact CG2-CE 4.04Å; S420-M424 VanDerWaalsContact O-CB 3.27Å; S420-M424 WeakPolarHBondContact O-CB 3.36Å; S420-M424 WeakPolarHBondContact O-CE 3.49Å; S420-M424 WeakPolarHBondContact O-CG 3.29Å; S420-M424 PolarHBondContact O-N 2.83Å; V421-M424 HydrophobicContact CG2-CE 4.27Å; G422-M424 PolarHBondContact O-N 2.95Å; M424-F428 HydrophobicContact CB-CD2 3.74Å; M424-F428 HydrophobicContact CB-CE2 3.92Å; M424-F428 HydrophobicContact CG-CD2 4.05Å; M424-F428 HydrophobicContact CG-CE2 3.67Å; M424-F428 VanDerWaalsContact O-CB 3.29Å; M424-F428 WeakPolarHBondContact O-CB 3.35Å; M424-F428 WeakPolarHBondContact O-CD2 3.49Å; M424-F428 PolarHBondContact O-N 3.22Å; M424-F428 HydrophobicContact SD-CE2 4.17Å; M424-L432 HydrophobicContact CB-CD1 3.94Å; M424-L432 WeakPolarHBondContact O-CD1 3.36Å
425	A	97.3	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.7	-33.8	176.5	0	0	0	0	0	112.2	V421 G422 Q423 G429 L432 Q433 N465 F466	V421-A425 WeakPolarHBondContact O-CB 3.33Å; V421-A425 PolarHBondContact O-N 3.35Å; G422-A425 WeakPolarHBondContact O-CA 3.31Å; G422-A425 WeakPolarHBondContact O-CB 3.49Å; G422-A425 PolarHBondContact O-N 2.85Å; Q423-A425 PolarHBondContact O-N 2.82Å; A425-G429 WeakPolarHBondContact O-CA 3.31Å; A425-G429 PolarHBondContact O-N 3.14Å; A425-L432 HydrophobicContact CB-CD2 4.43Å; A425-Q433 PolarHBondContact O-NE2 3.33Å; A425-N465 HydrophobicContact CB-CB 4.34Å; A425-F466 HydrophobicContact CB-CB 4.21Å; A425-F466 HydrophobicContact CB-CD2 4.25Å
426	T	96.4	Very high	96.6	Very high	36 Å²	36	27 Å²	27	22%	0.221	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-52.9	172.1	-63.1	0	0	0	0	111.1	G422 Q423 G429 N465 K469	G422-T426 PolarHBondContact O-N 3.38Å; G422-T426 VanDerWaalsContact O-N 3.13Å; Q423-T426 WeakPolarHBondContact O-CA 3.49Å; Q423-T426 WeakPolarHBondContact O-CB 3.42Å; Q423-T426 PolarHBondContact O-N 3.21Å; T426-G429 PolarHBondContact O-N 3.22Å; T426-N465 PolarHBondContact OG1-ND2 3.21Å; T426-K469 PolarHBondContact O-NZ 2.86Å
427	D	94.6	Very high	96.5	Very high	29 Å²	29	29 Å²	29	16%	0.155	15%	0.153	C	C	.	.	H	α-helix	trans	-75.5	-36.7	-167.5	-59.2	-7.2	0	0	0	112.5	S384 E385 Q423	S384-D427 VanDerWaalsContact CB-OD2 3.28Å; S384-D427 WeakPolarHBondContact CB-OD2 3.4Å; S384-D427 PolarHBondContact OG-OD2 2.54Å; E385-D427 PolarHBondContact N-OD2 3.2Å; Q423-D427 WeakPolarHBondContact CG-OD2 3.21Å; Q423-D427 PolarHBondContact NE2-OD1 3.26Å; Q423-D427 PolarHBondContact NE2-OD2 3.32Å; Q423-D427 VanDerWaalsContact O-CG 3.3Å; Q423-D427 PolarHBondContact O-N 3.35Å
428	F	95.7	Very high	96.4	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	10	177.8	-54.3	-58.9	0	0	0	112.9	M391 E392 L395 M424 K431 L432	M391-F428 HydrophobicContact CB-CE1 3.73Å; M391-F428 HydrophobicContact CB-CZ 3.52Å; M391-F428 HydrophobicContact CE-CZ 4.04Å; M391-F428 HydrophobicContact CG-CZ 4.44Å; M391-F428 HydrophobicContact SD-CZ 4.21Å; E392-F428 HydrophobicContact CG-CD1 3.59Å; E392-F428 HydrophobicContact CG-CE1 4.08Å; L395-F428 HydrophobicContact CD1-CD2 3.6Å; L395-F428 HydrophobicContact CD1-CE2 3.88Å; L395-F428 HydrophobicContact CD1-CG 4.14Å; L395-F428 HydrophobicContact CD2-CB 4.42Å; M424-F428 HydrophobicContact CB-CD2 3.74Å; M424-F428 HydrophobicContact CB-CE2 3.92Å; M424-F428 HydrophobicContact CG-CD2 4.05Å; M424-F428 HydrophobicContact CG-CE2 3.67Å; M424-F428 VanDerWaalsContact O-CB 3.29Å; M424-F428 WeakPolarHBondContact O-CB 3.35Å; M424-F428 WeakPolarHBondContact O-CD2 3.49Å; M424-F428 PolarHBondContact O-N 3.22Å; M424-F428 HydrophobicContact SD-CE2 4.17Å; F428-K431 WeakPolarHBondContact O-CA 3.18Å; F428-K431 WeakPolarHBondContact O-CB 3.36Å; F428-K431 PolarHBondContact O-N 2.82Å; F428-L432 HydrophobicContact CB-CB 3.87Å; F428-L432 HydrophobicContact CB-CD1 4.39Å; F428-L432 HydrophobicContact CD2-CD1 4.3Å; F428-L432 PolarHBondContact O-N 2.66Å
429	G	93.2	Very high	96.3	Very high	18 Å²	18	35.4 Å²	35.4	19%	0.186	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	136.8	-179.5	0	0	0	0	0	112.6	A425 T426	A425-G429 WeakPolarHBondContact O-CA 3.31Å; A425-G429 PolarHBondContact O-N 3.14Å; T426-G429 PolarHBondContact O-N 3.22Å
430	P	94.3	Very high	96.4	Very high	57 Å²	57	33.5 Å²	33.5	37%	0.37	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.9	5.7	9.3	37	-37.2	0	0	0	114.4	Q433 K434 K469	P430-Q433 PolarHBondContact O-N 3.47Å; P430-K434 HydrophobicContact CB-CD 4.48Å; P430-K434 WeakPolarHBondContact O-CB 3.39Å; P430-K434 VanDerWaalsContact O-CG 3.28Å; P430-K434 WeakPolarHBondContact O-CG 3.44Å; P430-K434 PolarHBondContact O-N 2.65Å; P430-K469 WeakPolarHBondContact CB-O 3.47Å
431	K	94.6	Very high	96.3	Very high	86 Å²	86	33.6 Å²	33.6	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-64.7	-43.9	-173.7	-175.7	177.1	179.7	170.4	0	111.9	E392 F428 Q433 K434 T435	E392-K431 HydrophobicContact CB-CD 4.49Å; E392-K431 VanDerWaalsContact CD-CD 3.47Å; E392-K431 HydrophobicContact CG-CD 4.17Å; E392-K431 WeakPolarHBondContact OE1-CD 3.38Å; E392-K431 WeakPolarHBondContact OE2-CD 3.4Å; E392-K431 IonicContact OE2-NZ 3.1Å; E392-K431 PolarHBondContact OE2-NZ 2.66Å; F428-K431 WeakPolarHBondContact O-CA 3.18Å; F428-K431 WeakPolarHBondContact O-CB 3.36Å; F428-K431 PolarHBondContact O-N 2.82Å; K431-Q433 VanDerWaalsContact C-N 3.35Å; K431-Q433 PolarHBondContact O-N 3.31Å; K431-K434 PolarHBondContact O-N 2.93Å; K431-T435 HydrophobicContact CG-CG2 4.5Å; K431-T435 WeakPolarHBondContact O-CB 3.37Å; K431-T435 WeakPolarHBondContact O-CG2 3.4Å; K431-T435 PolarHBondContact O-N 3.24Å; K431-T435 PolarHBondContact O-OG1 3.35Å
432	L	96.9	Very high	96.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-48.1	175.8	-177.4	155.3	0	0	0	110.9	L395 M424 A425 F428 K434 T435 H436 V440 F466	L395-L432 HydrophobicContact CD1-CD1 4.19Å; L395-L432 HydrophobicContact CD2-CB 3.96Å; L395-L432 HydrophobicContact CD2-CD1 4.43Å; L395-L432 HydrophobicContact CD2-CG 4.24Å; M424-L432 HydrophobicContact CB-CD1 3.94Å; M424-L432 WeakPolarHBondContact O-CD1 3.36Å; A425-L432 HydrophobicContact CB-CD2 4.43Å; F428-L432 HydrophobicContact CB-CB 3.87Å; F428-L432 HydrophobicContact CB-CD1 4.39Å; F428-L432 HydrophobicContact CD2-CD1 4.3Å; F428-L432 PolarHBondContact O-N 2.66Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 3.3Å; L432-T435 PolarHBondContact O-N 3.1Å; L432-H436 WeakPolarHBondContact O-CA 3.5Å; L432-H436 PolarHBondContact O-N 2.92Å; L432-V440 HydrophobicContact CD2-CG1 4.49Å; L432-V440 HydrophobicContact CD2-CG2 4.2Å; L432-F466 HydrophobicContact CD2-CD2 3.93Å; L432-F466 HydrophobicContact CD2-CE2 3.6Å
433	Q	97	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-39.9	178.3	-68.4	80	-7.8	0	0	111	A425 P430 K431 H437 F466 V470	A425-Q433 PolarHBondContact O-NE2 3.33Å; P430-Q433 PolarHBondContact O-N 3.47Å; K431-Q433 VanDerWaalsContact C-N 3.35Å; K431-Q433 PolarHBondContact O-N 3.31Å; Q433-H437 VanDerWaalsContact O-CB 3.23Å; Q433-H437 WeakPolarHBondContact O-CB 3.24Å; Q433-H437 PolarHBondContact O-CD2 3.38Å; Q433-F466 HydrophobicContact CB-CE1 4.33Å; Q433-F466 HydrophobicContact CB-CE2 4.41Å; Q433-F466 HydrophobicContact CB-CZ 3.99Å; Q433-F466 HydrophobicContact CG-CD1 4.13Å; Q433-F466 HydrophobicContact CG-CD2 4.1Å; Q433-F466 HydrophobicContact CG-CE1 3.88Å; Q433-F466 HydrophobicContact CG-CE2 3.88Å; Q433-F466 HydrophobicContact CG-CG 4.23Å; Q433-F466 HydrophobicContact CG-CZ 3.74Å; Q433-F466 WeakPolarHBondContact CG-O 3.43Å; Q433-V470 HydrophobicContact CB-CB 4.13Å; Q433-V470 HydrophobicContact CB-CG2 4.15Å; Q433-V470 HydrophobicContact CG-CB 3.93Å; Q433-V470 HydrophobicContact CG-CG2 4.42Å
434	K	96.1	Very high	96.2	Very high	113 Å²	113	34.5 Å²	34.5	49%	0.491	20%	0.198	S	C	.	.	H	α-helix	trans	-69.5	-32.8	178.2	-74.4	173.6	-178.2	178.3	0	113.5	P430 K431 L432 P471 I474	P430-K434 HydrophobicContact CB-CD 4.48Å; P430-K434 WeakPolarHBondContact O-CB 3.39Å; P430-K434 VanDerWaalsContact O-CG 3.28Å; P430-K434 WeakPolarHBondContact O-CG 3.44Å; P430-K434 PolarHBondContact O-N 2.65Å; K431-K434 PolarHBondContact O-N 2.93Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 3.3Å; K434-P471 HydrophobicContact CG-CG 4Å; K434-I474 HydrophobicContact CB-CD1 4.31Å; K434-I474 HydrophobicContact CG-CD1 4.02Å
435	T	95.5	Very high	96.1	Very high	78 Å²	78	36 Å²	36	48%	0.479	21%	0.207	S	C	.	.	H	α-helix	trans	-108.2	-29.2	-167.6	54.2	0	0	0	0	114.6	K431 L432	K431-T435 HydrophobicContact CG-CG2 4.5Å; K431-T435 WeakPolarHBondContact O-CB 3.37Å; K431-T435 WeakPolarHBondContact O-CG2 3.4Å; K431-T435 PolarHBondContact O-N 3.24Å; K431-T435 PolarHBondContact O-OG1 3.35Å; L432-T435 PolarHBondContact O-N 3.1Å
436	H	96.8	Very high	96.1	Very high	45 Å²	45	42 Å²	42	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-124.8	11.7	-172.1	-61.6	82.2	0	0	0	113.4	L399 L432 S438 T439 V440	L399-H436 HydrophobicContact CD1-CB 3.61Å; L399-H436 VanDerWaalsContact CD1-CD2 3.48Å; L399-H436 WeakPolarHBondContact CD1-CD2 3.36Å; L399-H436 VanDerWaalsContact CD1-CG 3.49Å; L432-H436 WeakPolarHBondContact O-CA 3.5Å; L432-H436 PolarHBondContact O-N 2.92Å; H436-S438 PolarHBondContact O-N 3.15Å; H436-S438 VanDerWaalsContact O-N 3.07Å; H436-T439 PolarHBondContact O-N 3.09Å; H436-T439 VanDerWaalsContact O-N 3.1Å; H436-T439 PolarHBondContact O-OG1 2.9Å; H436-T439 VanDerWaalsContact O-OG1 3.06Å; H436-V440 HydrophobicContact CB-CG2 4.2Å; H436-V440 WeakPolarHBondContact O-CG2 3.33Å; H436-V440 PolarHBondContact O-N 3.21Å
437	H	96.7	Very high	96.1	Very high	41 Å²	41	40.7 Å²	40.7	19%	0.19	23%	0.227	C	C	.	.	H	α-helix	trans	-51.2	-36	176.1	58.9	86.2	0	0	0	113.3	Q433 T439 L441 P442 F466 I474 Y478	Q433-H437 VanDerWaalsContact O-CB 3.23Å; Q433-H437 WeakPolarHBondContact O-CB 3.24Å; Q433-H437 PolarHBondContact O-CD2 3.38Å; H437-T439 VanDerWaalsContact C-N 3.25Å; H437-T439 PolarHBondContact O-N 3.2Å; H437-L441 HydrophobicContact CB-CD1 4.33Å; H437-L441 WeakPolarHBondContact O-CB 3.47Å; H437-L441 PolarHBondContact O-N 3.47Å; H437-L441 VanDerWaalsContact O-N 3.13Å; H437-P442 WeakPolarHBondContact O-CD 3.46Å; H437-F466 HydrophobicContact CB-CZ 3.83Å; H437-I474 HydrophobicContact CB-CG2 3.9Å; H437-Y478 HydrophobicContact CB-CE2 4.42Å; H437-Y478 PolarHBondContact CE1-OH 2.91Å; H437-Y478 VanDerWaalsContact CE1-OH 3.31Å; H437-Y478 AromaticContact ND1-CE2 3.28Å; H437-Y478 VanDerWaalsContact ND1-CE2 3.28Å; H437-Y478 WeakPolarHBondContact ND1-CE2 3.43Å; H437-Y478 AromaticContact ND1-CZ 3.37Å; H437-Y478 PolarHBondContact ND1-OH 3.13Å
438	S	96.4	Very high	96.2	Very high	69 Å²	69	39.3 Å²	39.3	48%	0.483	22%	0.22	S	C	.	.	H	α-helix	trans	-69.5	-17.1	-176.2	66.1	0	0	0	0	115	H436 P442 Y478	H436-S438 PolarHBondContact O-N 3.15Å; H436-S438 VanDerWaalsContact O-N 3.07Å; S438-P442 WeakPolarHBondContact O-CG 3.38Å; S438-Y478 WeakPolarHBondContact CA-OH 3.47Å
439	T	96.4	Very high	96.3	Very high	66 Å²	66	43.6 Å²	43.6	41%	0.405	24%	0.242	S	C	.	.	H	α-helix	trans	-106.5	-42.1	175.2	51.4	0	0	0	0	111.4	H436 H437 A443	H436-T439 PolarHBondContact O-N 3.09Å; H436-T439 VanDerWaalsContact O-N 3.1Å; H436-T439 PolarHBondContact O-OG1 2.9Å; H436-T439 VanDerWaalsContact O-OG1 3.06Å; H437-T439 VanDerWaalsContact C-N 3.25Å; H437-T439 PolarHBondContact O-N 3.2Å; T439-A443 VanDerWaalsContact O-CB 3.28Å; T439-A443 WeakPolarHBondContact O-CB 3.47Å; T439-A443 PolarHBondContact O-N 2.73Å
440	V	97.6	Very high	96.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-51.7	-175.4	176.7	0	0	0	0	112	L399 V421 L432 H436 A443 L444 F466	L399-V440 HydrophobicContact CD1-CG2 4.14Å; L399-V440 HydrophobicContact CD2-CG2 4.04Å; V421-V440 HydrophobicContact CG1-CG1 3.7Å; L432-V440 HydrophobicContact CD2-CG1 4.49Å; L432-V440 HydrophobicContact CD2-CG2 4.2Å; H436-V440 HydrophobicContact CB-CG2 4.2Å; H436-V440 WeakPolarHBondContact O-CG2 3.33Å; H436-V440 PolarHBondContact O-N 3.21Å; V440-A443 PolarHBondContact O-N 2.96Å; V440-L444 HydrophobicContact CG1-CD1 4.05Å; V440-L444 HydrophobicContact CG1-CG 4.44Å; V440-L444 PolarHBondContact O-N 2.87Å; V440-F466 HydrophobicContact CB-CD2 4.45Å; V440-F466 HydrophobicContact CB-CE2 4Å; V440-F466 HydrophobicContact CG1-CD2 3.7Å; V440-F466 HydrophobicContact CG1-CE2 3.76Å
441	L	96.1	Very high	96.4	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-50.8	-177.9	-81.6	171.2	0	0	0	111.9	H437 A443 L444 V445 L463 F466 Y478	H437-L441 HydrophobicContact CB-CD1 4.33Å; H437-L441 WeakPolarHBondContact O-CB 3.47Å; H437-L441 PolarHBondContact O-N 3.47Å; H437-L441 VanDerWaalsContact O-N 3.13Å; L441-A443 VanDerWaalsContact C-N 3.27Å; L441-A443 PolarHBondContact O-N 3.44Å; L441-L444 PolarHBondContact O-N 3.07Å; L441-V445 WeakPolarHBondContact O-CB 3.22Å; L441-V445 WeakPolarHBondContact O-CG2 3.42Å; L441-V445 PolarHBondContact O-N 3.28Å; L441-L463 HydrophobicContact CD2-CD2 3.7Å; L441-F466 HydrophobicContact CD1-CD1 4.37Å; L441-F466 HydrophobicContact CD1-CE1 3.64Å; L441-F466 HydrophobicContact CD1-CZ 4.09Å; L441-F466 HydrophobicContact CD2-CD1 3.66Å; L441-F466 HydrophobicContact CD2-CE1 3.76Å; L441-F466 HydrophobicContact CD2-CG 4.27Å; L441-F466 HydrophobicContact CD2-CZ 4.42Å; L441-F466 HydrophobicContact CG-CD1 3.96Å; L441-F466 HydrophobicContact CG-CE1 3.53Å; L441-F466 HydrophobicContact CG-CE2 4.44Å; L441-F466 HydrophobicContact CG-CZ 3.81Å; L441-Y478 HydrophobicContact CD1-CD1 4.33Å; L441-Y478 HydrophobicContact CD1-CD2 3.67Å; L441-Y478 HydrophobicContact CD1-CE2 4.17Å; L441-Y478 HydrophobicContact CD1-CG 3.78Å
442	P	96	Very high	96.5	Very high	61 Å²	61	43.4 Å²	43.4	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-35.8	178	-27.1	38.1	0	0	0	113.4	H437 S438 Q446	H437-P442 WeakPolarHBondContact O-CD 3.46Å; S438-P442 WeakPolarHBondContact O-CG 3.38Å; P442-Q446 WeakPolarHBondContact O-CB 3.31Å; P442-Q446 PolarHBondContact O-N 3.23Å
443	A	97.3	Very high	96.4	Very high	20 Å²	20	43.5 Å²	43.5	17%	0.165	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-48.9	177.6	0	0	0	0	0	111.5	L403 L406 T439 V440 L441 V445 Q446 T447	L403-A443 HydrophobicContact CD2-CB 4.05Å; L406-A443 HydrophobicContact CD1-CB 3.77Å; T439-A443 VanDerWaalsContact O-CB 3.28Å; T439-A443 WeakPolarHBondContact O-CB 3.47Å; T439-A443 PolarHBondContact O-N 2.73Å; V440-A443 PolarHBondContact O-N 2.96Å; L441-A443 VanDerWaalsContact C-N 3.27Å; L441-A443 PolarHBondContact O-N 3.44Å; A443-V445 PolarHBondContact O-N 3.24Å; A443-Q446 WeakPolarHBondContact O-CB 3.38Å; A443-Q446 PolarHBondContact O-N 3.04Å; A443-T447 PolarHBondContact O-N 3.04Å; A443-T447 PolarHBondContact O-OG1 3.37Å
444	L	97.5	Very high	96.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-43.6	176.4	-68.8	177.4	0	0	0	112.2	V421 V440 L441 Q446 T447 L448 A462 L463	V421-L444 HydrophobicContact CB-CD2 4.34Å; V421-L444 HydrophobicContact CG1-CD1 3.93Å; V421-L444 HydrophobicContact CG1-CD2 3.87Å; V421-L444 HydrophobicContact CG1-CG 4.08Å; V440-L444 HydrophobicContact CG1-CD1 4.05Å; V440-L444 HydrophobicContact CG1-CG 4.44Å; V440-L444 PolarHBondContact O-N 2.87Å; L441-L444 PolarHBondContact O-N 3.07Å; L444-Q446 PolarHBondContact O-N 2.98Å; L444-T447 PolarHBondContact O-N 3.24Å; L444-L448 PolarHBondContact O-N 2.89Å; L444-A462 HydrophobicContact CD1-CB 4.21Å; L444-A462 HydrophobicContact CD2-CB 3.88Å; L444-L463 HydrophobicContact CB-CD1 4.33Å; L444-L463 HydrophobicContact CB-CD2 3.88Å; L444-L463 HydrophobicContact CB-CG 3.86Å; L444-L463 HydrophobicContact CD1-CD2 3.91Å; L444-L463 HydrophobicContact CD1-CG 3.98Å
445	V	96.4	Very high	96.4	Very high	32 Å²	32	39.1 Å²	39.1	19%	0.194	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-33.6	176.1	172.3	0	0	0	0	111.7	L441 A443 L448 L482 K485	L441-V445 WeakPolarHBondContact O-CB 3.22Å; L441-V445 WeakPolarHBondContact O-CG2 3.42Å; L441-V445 PolarHBondContact O-N 3.28Å; A443-V445 PolarHBondContact O-N 3.24Å; V445-L448 WeakPolarHBondContact O-CB 3.45Å; V445-L482 HydrophobicContact CG2-CD1 3.69Å; V445-K485 HydrophobicContact CG1-CB 4.29Å; V445-K485 HydrophobicContact CG1-CG 4.02Å
446	Q	96.5	Very high	96.5	Very high	126 Å²	126	36 Å²	36	59%	0.589	20%	0.204	S	C	*	.	H	α-helix	trans	-69.2	-45	171.8	-178.1	179.5	-15.5	0	0	111.4	P442 A443 L444 L448 N449	P442-Q446 WeakPolarHBondContact O-CB 3.31Å; P442-Q446 PolarHBondContact O-N 3.23Å; A443-Q446 WeakPolarHBondContact O-CB 3.38Å; A443-Q446 PolarHBondContact O-N 3.04Å; L444-Q446 PolarHBondContact O-N 2.98Å; Q446-L448 PolarHBondContact O-N 2.6Å; Q446-N449 VanDerWaalsContact O-CB 3.29Å; Q446-N449 WeakPolarHBondContact O-CB 3.23Å; Q446-N449 PolarHBondContact O-N 3.44Å; Q446-N449 PolarHBondContact O-ND2 3.47Å
447	T	97.4	Very high	96.5	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-25	179.3	-46.9	0	0	0	0	112.7	L406 A443 L444 N449 D450 V455 A459	L406-T447 HydrophobicContact CD2-CG2 4.33Å; A443-T447 PolarHBondContact O-N 3.04Å; A443-T447 PolarHBondContact O-OG1 3.37Å; L444-T447 PolarHBondContact O-N 3.24Å; T447-N449 PolarHBondContact O-N 3.2Å; T447-D450 WeakPolarHBondContact O-CB 3.1Å; T447-D450 PolarHBondContact O-N 2.9Å; T447-V455 HydrophobicContact CG2-CG1 4.1Å; T447-A459 HydrophobicContact CG2-CB 3.87Å
448	L	97	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-9	168.6	-72.9	-178.2	0	0	0	114.3	L444 V445 Q446 Q456 A459 L463 K485 L486 I489 I509	L444-L448 PolarHBondContact O-N 2.89Å; V445-L448 WeakPolarHBondContact O-CB 3.45Å; Q446-L448 PolarHBondContact O-N 2.6Å; L448-Q456 PolarHBondContact O-NE2 3.01Å; L448-A459 HydrophobicContact CD2-CB 4.07Å; L448-L463 HydrophobicContact CD1-CD1 3.55Å; L448-L463 HydrophobicContact CD2-CD1 4.23Å; L448-L463 HydrophobicContact CG-CD1 3.94Å; L448-K485 HydrophobicContact CD1-CG 4.4Å; L448-L486 HydrophobicContact CD1-CD2 4.08Å; L448-I489 HydrophobicContact CB-CD1 3.6Å; L448-I489 HydrophobicContact CD1-CD1 4Å; L448-I489 HydrophobicContact CD2-CD1 4.49Å; L448-I489 HydrophobicContact CG-CD1 4.28Å; L448-I509 HydrophobicContact CD2-CD1 3.94Å
449	N	95.8	Very high	96.6	Very high	91 Å²	91	30 Å²	30	49%	0.487	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.6	170.6	-63.4	-74.9	0	0	0	114.2	Q446 T447 K485	Q446-N449 VanDerWaalsContact O-CB 3.29Å; Q446-N449 WeakPolarHBondContact O-CB 3.23Å; Q446-N449 PolarHBondContact O-N 3.44Å; Q446-N449 PolarHBondContact O-ND2 3.47Å; T447-N449 PolarHBondContact O-N 3.2Å; N449-K485 VanDerWaalsContact OD1-CE 3.22Å; N449-K485 WeakPolarHBondContact OD1-CE 3.36Å; N449-K485 PolarHBondContact OD1-NZ 3.25Å
450	D	96.6	Very high	96.7	Very high	16 Å²	16	26.9 Å²	26.9	9%	0.086	15%	0.152	C	C	.	.			trans	-58.6	144.1	-179.3	-149.9	-66.1	0	0	0	111.2	R414 T447 V452 V455 Q456	R414-D450 WeakPolarHBondContact CD-OD2 3.15Å; R414-D450 VanDerWaalsContact CZ-CG 3.48Å; R414-D450 IonicContact CZ-OD1 2.84Å; R414-D450 IonicContact CZ-OD2 3.57Å; R414-D450 IonicContact NE-OD2 3.21Å; R414-D450 PolarHBondContact NE-OD2 2.9Å; R414-D450 IonicContact NH1-OD1 2.79Å; R414-D450 IonicContact NH1-OD2 3.59Å; R414-D450 PolarHBondContact NH1-OD2 3.04Å; R414-D450 IonicContact NH2-OD1 3.59Å; R414-D450 PolarHBondContact NH2-OD1 3.48Å; R414-D450 IonicContact NH2-OD2 2.88Å; R414-D450 PolarHBondContact NH2-OD2 3.35Å; R414-D450 VanDerWaalsContact NH2-OD2 3.16Å; T447-D450 WeakPolarHBondContact O-CB 3.1Å; T447-D450 PolarHBondContact O-N 2.9Å; D450-V452 WeakPolarHBondContact OD1-CB 3.33Å; D450-V452 PolarHBondContact OD1-N 2.96Å; D450-V455 HydrophobicContact CB-CB 4.2Å; D450-V455 HydrophobicContact CB-CG1 3.89Å; D450-Q456 HydrophobicContact CB-CB 4.48Å
451	T	94.4	Very high	96.7	Very high	126 Å²	126	28 Å²	28	77%	0.773	16%	0.161	S	C	*	.	S	Bend	trans	-83.4	-19	179	55.2	0	0	0	0	112.3
452	V	95.9	Very high	96.8	Very high	14 Å²	14	28 Å²	28	9%	0.085	16%	0.161	C	C	.	.	S	Bend	trans	-84.3	118.7	179.8	175.6	0	0	0	0	109.7	W319 A320 P411 D450 R454 V455 Q456	W319-V452 HydrophobicContact CZ3-CG1 3.91Å; A320-V452 HydrophobicContact CB-CG1 4.13Å; A320-V452 HydrophobicContact CB-CG2 4.25Å; P411-V452 HydrophobicContact CB-CB 4.48Å; P411-V452 HydrophobicContact CB-CG1 4.25Å; P411-V452 HydrophobicContact CB-CG2 3.98Å; D450-V452 WeakPolarHBondContact OD1-CB 3.33Å; D450-V452 PolarHBondContact OD1-N 2.96Å; V452-R454 PolarHBondContact O-N 3.44Å; V452-V455 HydrophobicContact CB-CB 4.18Å; V452-V455 HydrophobicContact CB-CG2 3.93Å; V452-V455 HydrophobicContact CG1-CB 4.34Å; V452-V455 HydrophobicContact CG1-CG2 3.8Å; V452-V455 PolarHBondContact O-N 3.09Å; V452-Q456 PolarHBondContact O-N 3.29Å
453	P	95.4	Very high	96.9	Very high	4 Å²	4	25 Å²	25	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-54.7	-46.7	-175.4	-28.5	36.8	0	0	0	114.1	A320 V455 Q456 A457 L504 V505	A320-P453 VanDerWaalsContact O-CD 3.3Å; A320-P453 WeakPolarHBondContact O-CD 3.46Å; P453-V455 PolarHBondContact O-N 2.9Å; P453-Q456 PolarHBondContact O-N 3.39Å; P453-A457 WeakPolarHBondContact O-CB 3.43Å; P453-A457 PolarHBondContact O-N 3.41Å; P453-L504 HydrophobicContact CB-CD2 4.12Å; P453-V505 HydrophobicContact CB-CG2 3.92Å
454	R	96.2	Very high	96.9	Very high	20 Å²	20	24.9 Å²	24.9	8%	0.075	14%	0.139	C	C	.	.	H	α-helix	trans	-60.1	-42.5	178.4	-73.5	-172.1	170.5	179.7	-0.7	112.6	W319 T324 A325 Y415 V452 N458 L504	W319-R454 HydrophobicContact CH2-CB 3.76Å; W319-R454 HydrophobicContact CZ2-CB 4.03Å; W319-R454 HydrophobicContact CZ3-CB 4.22Å; T324-R454 PolarHBondContact O-NE 3.44Å; A325-R454 PolarHBondContact O-NH2 3.04Å; Y415-R454 HydrophobicContact CD2-CB 4.32Å; V452-R454 PolarHBondContact O-N 3.44Å; R454-N458 WeakPolarHBondContact O-CB 3.45Å; R454-N458 PolarHBondContact O-N 2.99Å; R454-L504 HydrophobicContact CG-CD2 4.03Å
455	V	97.4	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-44.3	177.2	-179.8	0	0	0	0	111	W319 P411 R414 T447 D450 V452 P453 N458 A459	W319-V455 HydrophobicContact CH2-CG2 4.27Å; W319-V455 HydrophobicContact CZ3-CG2 4.32Å; P411-V455 HydrophobicContact CB-CG2 4.21Å; P411-V455 VanDerWaalsContact O-CG2 3.28Å; P411-V455 WeakPolarHBondContact O-CG2 3.48Å; R414-V455 HydrophobicContact CB-CG1 3.74Å; R414-V455 HydrophobicContact CB-CG2 4.19Å; T447-V455 HydrophobicContact CG2-CG1 4.1Å; D450-V455 HydrophobicContact CB-CB 4.2Å; D450-V455 HydrophobicContact CB-CG1 3.89Å; V452-V455 HydrophobicContact CB-CB 4.18Å; V452-V455 HydrophobicContact CB-CG2 3.93Å; V452-V455 HydrophobicContact CG1-CB 4.34Å; V452-V455 HydrophobicContact CG1-CG2 3.8Å; V452-V455 PolarHBondContact O-N 3.09Å; P453-V455 PolarHBondContact O-N 2.9Å; V455-N458 PolarHBondContact O-N 3.33Å; V455-A459 PolarHBondContact O-N 3.33Å
456	Q	97.2	Very high	97	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.056	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-42.2	-179.8	-169.2	176.1	31.2	0	0	111.7	L448 D450 V452 P453 G460 V505	L448-Q456 PolarHBondContact O-NE2 3.01Å; D450-Q456 HydrophobicContact CB-CB 4.48Å; V452-Q456 PolarHBondContact O-N 3.29Å; P453-Q456 PolarHBondContact O-N 3.39Å; Q456-G460 PolarHBondContact O-N 2.89Å; Q456-V505 HydrophobicContact CB-CG1 4.38Å; Q456-V505 HydrophobicContact CB-CG2 4.24Å; Q456-V505 HydrophobicContact CG-CG1 3.81Å; Q456-V505 HydrophobicContact CG-CG2 4.5Å
457	A	97.1	Very high	97.1	Very high	9 Å²	9	19.3 Å²	19.3	7%	0.074	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-49.2	172.4	0	0	0	0	0	110.5	P453 A459 G460 A461 L504 Q508	P453-A457 WeakPolarHBondContact O-CB 3.43Å; P453-A457 PolarHBondContact O-N 3.41Å; A457-A459 VanDerWaalsContact C-N 3.28Å; A457-A459 PolarHBondContact O-N 3.43Å; A457-G460 CarbonylContact O-C 3.57Å; A457-G460 VanDerWaalsContact O-CA 3.29Å; A457-G460 WeakPolarHBondContact O-CA 3.24Å; A457-G460 PolarHBondContact O-N 3.35Å; A457-A461 PolarHBondContact O-N 3.13Å; A457-L504 HydrophobicContact CB-CD1 4.46Å; A457-L504 HydrophobicContact CB-CD2 4.38Å; A457-L504 HydrophobicContact CB-CG 4.04Å; A457-Q508 HydrophobicContact CB-CB 4.08Å; A457-Q508 HydrophobicContact CB-CG 4.26Å; A457-Q508 WeakPolarHBondContact O-CG 2.94Å
458	N	97	Very high	97	Very high	22 Å²	22	25 Å²	25	12%	0.118	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-31.6	-177.9	-152.9	28	0	0	0	113.4	Y415 C418 N419 R454 V455 G460 A461 A462	Y415-N458 HydrophobicContact CD2-CB 3.57Å; Y415-N458 HydrophobicContact CE2-CB 3.59Å; Y415-N458 WeakPolarHBondContact CE2-ND2 3.28Å; Y415-N458 HydrophobicContact CG-CB 4.41Å; Y415-N458 PolarHBondContact O-ND2 2.81Å; C418-N458 HydrophobicContact CB-CB 3.95Å; N419-N458 PolarHBondContact N-ND2 2.87Å; R454-N458 WeakPolarHBondContact O-CB 3.45Å; R454-N458 PolarHBondContact O-N 2.99Å; V455-N458 PolarHBondContact O-N 3.33Å; N458-G460 VanDerWaalsContact C-N 3.31Å; N458-G460 PolarHBondContact O-N 3.15Å; N458-A461 PolarHBondContact O-N 2.76Å; N458-A462 PolarHBondContact O-N 3.45Å
459	A	98.2	Very high	96.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-36.4	170	0	0	0	0	0	112.4	T447 L448 V455 A457 L463	T447-A459 HydrophobicContact CG2-CB 3.87Å; L448-A459 HydrophobicContact CD2-CB 4.07Å; V455-A459 PolarHBondContact O-N 3.33Å; A457-A459 VanDerWaalsContact C-N 3.28Å; A457-A459 PolarHBondContact O-N 3.43Å; A459-L463 WeakPolarHBondContact O-CG 3.36Å; A459-L463 PolarHBondContact O-N 3.26Å; A459-L463 VanDerWaalsContact O-N 3.16Å
460	G	97.9	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.2	-35.7	172	0	0	0	0	0	113.1	Q456 A457 N458 L463 V464 T512	Q456-G460 PolarHBondContact O-N 2.89Å; A457-G460 CarbonylContact O-C 3.57Å; A457-G460 VanDerWaalsContact O-CA 3.29Å; A457-G460 WeakPolarHBondContact O-CA 3.24Å; A457-G460 PolarHBondContact O-N 3.35Å; N458-G460 VanDerWaalsContact C-N 3.31Å; N458-G460 PolarHBondContact O-N 3.15Å; G460-L463 PolarHBondContact O-N 3.37Å; G460-V464 WeakPolarHBondContact O-CG2 3.41Å; G460-V464 PolarHBondContact O-N 3.24Å; G460-T512 VanDerWaalsContact C-OG1 3.32Å; G460-T512 WeakPolarHBondContact CA-OG1 3.33Å; G460-T512 PolarHBondContact O-OG1 2.85Å
461	A	97.8	Very high	96.7	Very high	23 Å²	23	25.9 Å²	25.9	19%	0.19	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-50.7	173	0	0	0	0	0	110.9	A457 N458 L463 V464 N465	A457-A461 PolarHBondContact O-N 3.13Å; N458-A461 PolarHBondContact O-N 2.76Å; A461-L463 PolarHBondContact O-N 2.69Å; A461-L463 VanDerWaalsContact O-N 3.11Å; A461-V464 WeakPolarHBondContact O-CA 3.4Å; A461-V464 VanDerWaalsContact O-CB 3.24Å; A461-V464 WeakPolarHBondContact O-CB 3.23Å; A461-V464 PolarHBondContact O-N 3.3Å; A461-N465 PolarHBondContact O-N 2.93Å; A461-N465 PolarHBondContact O-OD1 2.94Å
462	A	98.2	Very high	96.7	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-31.5	175.6	0	0	0	0	0	113.7	C418 L444 N458 F466	C418-A462 WeakPolarHBondContact O-CB 3.31Å; L444-A462 HydrophobicContact CD1-CB 4.21Å; L444-A462 HydrophobicContact CD2-CB 3.88Å; N458-A462 PolarHBondContact O-N 3.45Å; A462-F466 PolarHBondContact O-N 2.88Å; A462-F466 VanDerWaalsContact O-N 3.07Å
463	L	98.1	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.6	-33.5	171.9	-83.4	166.9	0	0	0	113.1	L441 L444 L448 A459 G460 A461 F466 C467 L482 T512	L441-L463 HydrophobicContact CD2-CD2 3.7Å; L444-L463 HydrophobicContact CB-CD1 4.33Å; L444-L463 HydrophobicContact CB-CD2 3.88Å; L444-L463 HydrophobicContact CB-CG 3.86Å; L444-L463 HydrophobicContact CD1-CD2 3.91Å; L444-L463 HydrophobicContact CD1-CG 3.98Å; L448-L463 HydrophobicContact CD1-CD1 3.55Å; L448-L463 HydrophobicContact CD2-CD1 4.23Å; L448-L463 HydrophobicContact CG-CD1 3.94Å; A459-L463 WeakPolarHBondContact O-CG 3.36Å; A459-L463 PolarHBondContact O-N 3.26Å; A459-L463 VanDerWaalsContact O-N 3.16Å; G460-L463 PolarHBondContact O-N 3.37Å; A461-L463 PolarHBondContact O-N 2.69Å; A461-L463 VanDerWaalsContact O-N 3.11Å; L463-F466 PolarHBondContact O-N 2.94Å; L463-C467 VanDerWaalsContact O-CB 3.31Å; L463-C467 WeakPolarHBondContact O-CB 3.32Å; L463-C467 PolarHBondContact O-N 2.99Å; L463-C467 PolarHBondContact O-SG 3.17Å; L463-C467 VanDerWaalsContact O-SG 3.4Å; L463-L482 HydrophobicContact CD1-CD1 4.44Å; L463-L482 HydrophobicContact CD2-CD1 4.49Å; L463-T512 HydrophobicContact CB-CG2 3.82Å; L463-T512 HydrophobicContact CD1-CG2 4.36Å
464	V	98.2	Very high	96.5	Very high	16 Å²	16	28.9 Å²	28.9	10%	0.097	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-54	173.3	173	0	0	0	0	109.4	G460 A461 F466 C467 E468 T511	G460-V464 WeakPolarHBondContact O-CG2 3.41Å; G460-V464 PolarHBondContact O-N 3.24Å; A461-V464 WeakPolarHBondContact O-CA 3.4Å; A461-V464 VanDerWaalsContact O-CB 3.24Å; A461-V464 WeakPolarHBondContact O-CB 3.23Å; A461-V464 PolarHBondContact O-N 3.3Å; V464-F466 PolarHBondContact O-N 3.38Å; V464-C467 PolarHBondContact O-N 3.14Å; V464-E468 HydrophobicContact CG1-CG 4.4Å; V464-E468 WeakPolarHBondContact CG1-OE1 3.28Å; V464-E468 WeakPolarHBondContact O-CG 3.48Å; V464-E468 PolarHBondContact O-N 3.08Å; V464-T511 HydrophobicContact CG2-CG2 4.19Å
465	N	98	Very high	96.5	Very high	41 Å²	41	27.9 Å²	27.9	22%	0.219	14%	0.141	C	C	.	.	H	α-helix	trans	-53.6	-40.9	176.4	-62.3	73	0	0	0	112	G422 A425 T426 A461	G422-N465 WeakPolarHBondContact O-CB 3.35Å; A425-N465 HydrophobicContact CB-CB 4.34Å; T426-N465 PolarHBondContact OG1-ND2 3.21Å; A461-N465 PolarHBondContact O-N 2.93Å; A461-N465 PolarHBondContact O-OD1 2.94Å
466	F	98	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-45.1	176	-169.4	-79.2	0	0	0	112.3	A425 L432 Q433 H437 V440 L441 A462 L463 V464 V470	A425-F466 HydrophobicContact CB-CB 4.21Å; A425-F466 HydrophobicContact CB-CD2 4.25Å; L432-F466 HydrophobicContact CD2-CD2 3.93Å; L432-F466 HydrophobicContact CD2-CE2 3.6Å; Q433-F466 HydrophobicContact CB-CE1 4.33Å; Q433-F466 HydrophobicContact CB-CE2 4.41Å; Q433-F466 HydrophobicContact CB-CZ 3.99Å; Q433-F466 HydrophobicContact CG-CD1 4.13Å; Q433-F466 HydrophobicContact CG-CD2 4.1Å; Q433-F466 HydrophobicContact CG-CE1 3.88Å; Q433-F466 HydrophobicContact CG-CE2 3.88Å; Q433-F466 HydrophobicContact CG-CG 4.23Å; Q433-F466 HydrophobicContact CG-CZ 3.74Å; Q433-F466 WeakPolarHBondContact CG-O 3.43Å; H437-F466 HydrophobicContact CB-CZ 3.83Å; V440-F466 HydrophobicContact CB-CD2 4.45Å; V440-F466 HydrophobicContact CB-CE2 4Å; V440-F466 HydrophobicContact CG1-CD2 3.7Å; V440-F466 HydrophobicContact CG1-CE2 3.76Å; L441-F466 HydrophobicContact CD1-CD1 4.37Å; L441-F466 HydrophobicContact CD1-CE1 3.64Å; L441-F466 HydrophobicContact CD1-CZ 4.09Å; L441-F466 HydrophobicContact CD2-CD1 3.66Å; L441-F466 HydrophobicContact CD2-CE1 3.76Å; L441-F466 HydrophobicContact CD2-CG 4.27Å; L441-F466 HydrophobicContact CD2-CZ 4.42Å; L441-F466 HydrophobicContact CG-CD1 3.96Å; L441-F466 HydrophobicContact CG-CE1 3.53Å; L441-F466 HydrophobicContact CG-CE2 4.44Å; L441-F466 HydrophobicContact CG-CZ 3.81Å; A462-F466 PolarHBondContact O-N 2.88Å; A462-F466 VanDerWaalsContact O-N 3.07Å; L463-F466 PolarHBondContact O-N 2.94Å; V464-F466 PolarHBondContact O-N 3.38Å; F466-V470 HydrophobicContact CD1-CB 4.2Å; F466-V470 HydrophobicContact CE1-CB 3.95Å; F466-V470 HydrophobicContact CE1-CG2 3.84Å; F466-V470 WeakPolarHBondContact O-CB 3.48Å; F466-V470 PolarHBondContact O-N 3.31Å
467	C	96.9	Very high	96.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-70.7	-28.1	-176.9	-80.1	0	0	0	0	113.7	L463 V464 K469 V470 S515 A519	L463-C467 VanDerWaalsContact O-CB 3.31Å; L463-C467 WeakPolarHBondContact O-CB 3.32Å; L463-C467 PolarHBondContact O-N 2.99Å; L463-C467 PolarHBondContact O-SG 3.17Å; L463-C467 VanDerWaalsContact O-SG 3.4Å; V464-C467 PolarHBondContact O-N 3.14Å; C467-K469 VanDerWaalsContact C-N 3.29Å; C467-K469 PolarHBondContact O-N 3Å; C467-V470 WeakPolarHBondContact O-CG1 3.26Å; C467-S515 WeakPolarHBondContact CB-OG 3.42Å; C467-A519 HydrophobicContact CB-CB 4.46Å; C467-A519 WeakPolarHBondContact O-CB 3.41Å
468	E	95.2	Very high	96.3	Very high	128 Å²	128	37.7 Å²	37.7	60%	0.598	19%	0.191	S	C	*	.	H	α-helix	trans	-62.9	-33.7	177.4	-76.7	172.8	176.4	0	0	113.2	V464	V464-E468 HydrophobicContact CG1-CG 4.4Å; V464-E468 WeakPolarHBondContact CG1-OE1 3.28Å; V464-E468 WeakPolarHBondContact O-CG 3.48Å; V464-E468 PolarHBondContact O-N 3.08Å
469	K	93.3	Very high	96.2	Very high	89 Å²	89	36.7 Å²	36.7	39%	0.387	19%	0.186	S	C	.	.	S	Bend	trans	-112.2	5.6	-178.2	-59.7	-165.1	178.7	-180	0	114.4	T426 P430 C467 P471	T426-K469 PolarHBondContact O-NZ 2.86Å; P430-K469 WeakPolarHBondContact CB-O 3.47Å; C467-K469 VanDerWaalsContact C-N 3.29Å; C467-K469 PolarHBondContact O-N 3Å; K469-P471 WeakPolarHBondContact O-CD 3.31Å
470	V	96.2	Very high	96.1	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.067	21%	0.211	C	C	.	.			trans	-79.3	128.5	178.3	70.7	0	0	0	0	111.1	Q433 F466 C467 Q472 I474 L475 A519	Q433-V470 HydrophobicContact CB-CB 4.13Å; Q433-V470 HydrophobicContact CB-CG2 4.15Å; Q433-V470 HydrophobicContact CG-CB 3.93Å; Q433-V470 HydrophobicContact CG-CG2 4.42Å; F466-V470 HydrophobicContact CD1-CB 4.2Å; F466-V470 HydrophobicContact CE1-CB 3.95Å; F466-V470 HydrophobicContact CE1-CG2 3.84Å; F466-V470 WeakPolarHBondContact O-CB 3.48Å; F466-V470 PolarHBondContact O-N 3.31Å; C467-V470 WeakPolarHBondContact O-CG1 3.26Å; V470-Q472 PolarHBondContact O-N 3.32Å; V470-I474 HydrophobicContact CG2-CB 4.14Å; V470-I474 HydrophobicContact CG2-CG2 4.14Å; V470-L475 HydrophobicContact CG1-CB 3.98Å; V470-L475 HydrophobicContact CG1-CD1 4.34Å; V470-L475 HydrophobicContact CG1-CD2 4.08Å; V470-L475 HydrophobicContact CG1-CG 4.36Å; V470-L475 HydrophobicContact CG2-CB 4.26Å; V470-A519 HydrophobicContact CG1-CB 4.37Å
471	P	94.3	Very high	95.9	Very high	26 Å²	26	47.5 Å²	47.5	17%	0.169	24%	0.244	C	C	.	.			trans	-62.3	133.2	170.3	-23.1	33.9	0	0	0	111.7	K434 K469 H473 I474 L475	K434-P471 HydrophobicContact CG-CG 4Å; K469-P471 WeakPolarHBondContact O-CD 3.31Å; P471-H473 VanDerWaalsContact CB-CE1 3.43Å; P471-H473 WeakPolarHBondContact CB-CE1 3.45Å; P471-H473 PolarHBondContact O-N 3.33Å; P471-H473 VanDerWaalsContact O-N 3.1Å; P471-I474 HydrophobicContact CB-CD1 4.44Å; P471-I474 HydrophobicContact CB-CG1 4.43Å; P471-I474 HydrophobicContact CG-CD1 4.18Å; P471-I474 WeakPolarHBondContact O-CB 3.39Å; P471-I474 PolarHBondContact O-N 3.28Å; P471-L475 PolarHBondContact O-N 2.93Å
472	Q	94.7	Very high	95.9	Very high	59 Å²	59	46.6 Å²	46.6	28%	0.276	24%	0.236	S	C	.	.	H	α-helix	trans	-49.3	-42.8	-178.9	-177.3	-173.2	95.2	0	0	113.1	V470 I474 L475 V476 A520 E521 K523	V470-Q472 PolarHBondContact O-N 3.32Å; Q472-I474 PolarHBondContact O-N 2.98Å; Q472-L475 PolarHBondContact O-N 3.03Å; Q472-V476 HydrophobicContact CG-CG2 4.32Å; Q472-V476 VanDerWaalsContact O-CG2 3.27Å; Q472-V476 WeakPolarHBondContact O-CG2 3.31Å; Q472-V476 PolarHBondContact O-N 3.34Å; Q472-A520 PolarHBondContact NE2-O 3.35Å; Q472-E521 VanDerWaalsContact NE2-CD 3.28Å; Q472-E521 PolarHBondContact NE2-OE2 2.92Å; Q472-K523 HydrophobicContact CG-CG 4.36Å
473	H	92.8	Very high	95.8	Very high	134 Å²	134	46.5 Å²	46.5	62%	0.62	24%	0.235	S	C	*	.	H	α-helix	trans	-63.6	-22.3	-178.4	72.6	-89.3	0	0	0	113.8	P471 N477	P471-H473 VanDerWaalsContact CB-CE1 3.43Å; P471-H473 WeakPolarHBondContact CB-CE1 3.45Å; P471-H473 PolarHBondContact O-N 3.33Å; P471-H473 VanDerWaalsContact O-N 3.1Å; H473-N477 PolarHBondContact O-ND2 3.26Å
474	I	94.7	Very high	95.7	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-82.9	-48.9	173.2	-63.6	-177.7	0	0	0	109.7	K434 H437 V470 P471 Q472 V476 N477 Y478	K434-I474 HydrophobicContact CB-CD1 4.31Å; K434-I474 HydrophobicContact CG-CD1 4.02Å; H437-I474 HydrophobicContact CB-CG2 3.9Å; V470-I474 HydrophobicContact CG2-CB 4.14Å; V470-I474 HydrophobicContact CG2-CG2 4.14Å; P471-I474 HydrophobicContact CB-CD1 4.44Å; P471-I474 HydrophobicContact CB-CG1 4.43Å; P471-I474 HydrophobicContact CG-CD1 4.18Å; P471-I474 WeakPolarHBondContact O-CB 3.39Å; P471-I474 PolarHBondContact O-N 3.28Å; Q472-I474 PolarHBondContact O-N 2.98Å; I474-V476 VanDerWaalsContact C-N 3.26Å; I474-V476 PolarHBondContact O-N 3.09Å; I474-N477 WeakPolarHBondContact O-CB 3.48Å; I474-N477 PolarHBondContact O-N 2.8Å; I474-N477 VanDerWaalsContact O-N 3.13Å; I474-N477 PolarHBondContact O-ND2 3.27Å; I474-N477 VanDerWaalsContact O-ND2 3.08Å; I474-Y478 HydrophobicContact CG2-CE2 4.46Å
475	L	95.4	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-38.6	-177.1	-179.5	60.9	0	0	0	112.6	V470 P471 Q472 N477 Y478 L479 L482 A519 A520	V470-L475 HydrophobicContact CG1-CB 3.98Å; V470-L475 HydrophobicContact CG1-CD1 4.34Å; V470-L475 HydrophobicContact CG1-CD2 4.08Å; V470-L475 HydrophobicContact CG1-CG 4.36Å; V470-L475 HydrophobicContact CG2-CB 4.26Å; P471-L475 PolarHBondContact O-N 2.93Å; Q472-L475 PolarHBondContact O-N 3.03Å; L475-N477 PolarHBondContact O-N 3.05Å; L475-Y478 PolarHBondContact O-N 3.1Å; L475-L479 HydrophobicContact CG-CD1 4.4Å; L475-L479 PolarHBondContact O-N 2.78Å; L475-L479 VanDerWaalsContact O-N 3.12Å; L475-L482 HydrophobicContact CD1-CD2 4.09Å; L475-A519 HydrophobicContact CD2-CB 3.63Å; L475-A520 HydrophobicContact CD2-CB 4.22Å
476	V	94.9	Very high	95.6	Very high	57 Å²	57	47.5 Å²	47.5	35%	0.345	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.6	179.3	169.7	0	0	0	0	112.9	Q472 I474 Y478 L479 K523	Q472-V476 HydrophobicContact CG-CG2 4.32Å; Q472-V476 VanDerWaalsContact O-CG2 3.27Å; Q472-V476 WeakPolarHBondContact O-CG2 3.31Å; Q472-V476 PolarHBondContact O-N 3.34Å; I474-V476 VanDerWaalsContact C-N 3.26Å; I474-V476 PolarHBondContact O-N 3.09Å; V476-Y478 PolarHBondContact O-N 3.05Å; V476-L479 PolarHBondContact O-N 3.13Å; V476-K523 HydrophobicContact CG2-CB 3.99Å; V476-K523 HydrophobicContact CG2-CD 4.25Å; V476-K523 HydrophobicContact CG2-CG 3.68Å
477	N	95.7	Very high	95.5	Very high	119 Å²	119	49.7 Å²	49.7	64%	0.636	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.5	179.7	-57.8	-59	0	0	0	113.7	H473 I474 L475	H473-N477 PolarHBondContact O-ND2 3.26Å; I474-N477 WeakPolarHBondContact O-CB 3.48Å; I474-N477 PolarHBondContact O-N 2.8Å; I474-N477 VanDerWaalsContact O-N 3.13Å; I474-N477 PolarHBondContact O-ND2 3.27Å; I474-N477 VanDerWaalsContact O-ND2 3.08Å; L475-N477 PolarHBondContact O-N 3.05Å
478	Y	96.7	Very high	95.5	Very high	50 Å²	50	55.3 Å²	55.3	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-9.3	-178.2	-60	-83.8	0	0	0	112.5	H437 S438 L441 I474 L475 V476 D480 D481 L482	H437-Y478 HydrophobicContact CB-CE2 4.42Å; H437-Y478 PolarHBondContact CE1-OH 2.91Å; H437-Y478 VanDerWaalsContact CE1-OH 3.31Å; H437-Y478 AromaticContact ND1-CE2 3.28Å; H437-Y478 VanDerWaalsContact ND1-CE2 3.28Å; H437-Y478 WeakPolarHBondContact ND1-CE2 3.43Å; H437-Y478 AromaticContact ND1-CZ 3.37Å; H437-Y478 PolarHBondContact ND1-OH 3.13Å; S438-Y478 WeakPolarHBondContact CA-OH 3.47Å; L441-Y478 HydrophobicContact CD1-CD1 4.33Å; L441-Y478 HydrophobicContact CD1-CD2 3.67Å; L441-Y478 HydrophobicContact CD1-CE2 4.17Å; L441-Y478 HydrophobicContact CD1-CG 3.78Å; I474-Y478 HydrophobicContact CG2-CE2 4.46Å; L475-Y478 PolarHBondContact O-N 3.1Å; V476-Y478 PolarHBondContact O-N 3.05Å; Y478-D480 PolarHBondContact O-N 3.1Å; Y478-D481 PolarHBondContact O-N 3Å; Y478-L482 VanDerWaalsContact O-CB 3.26Å; Y478-L482 WeakPolarHBondContact O-CB 3.4Å; Y478-L482 PolarHBondContact O-N 3.32Å
479	L	95.1	Very high	95.6	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-41.9	-164.2	-167.5	61	0	0	0	112.6	L475 V476 V483 V516 A520 K523 Y527	L475-L479 HydrophobicContact CG-CD1 4.4Å; L475-L479 PolarHBondContact O-N 2.78Å; L475-L479 VanDerWaalsContact O-N 3.12Å; V476-L479 PolarHBondContact O-N 3.13Å; L479-V483 HydrophobicContact CD1-CG2 3.89Å; L479-V483 HydrophobicContact CG-CG2 4.18Å; L479-V483 WeakPolarHBondContact O-CB 3.44Å; L479-V483 VanDerWaalsContact O-CG2 3.22Å; L479-V483 WeakPolarHBondContact O-CG2 3.19Å; L479-V483 PolarHBondContact O-N 3.39Å; L479-V516 HydrophobicContact CD1-CG1 3.65Å; L479-A520 HydrophobicContact CD1-CB 4.03Å; L479-A520 HydrophobicContact CD2-CB 3.88Å; L479-K523 HydrophobicContact CD2-CB 4.16Å; L479-Y527 HydrophobicContact CD2-CD2 4.36Å; L479-Y527 HydrophobicContact CD2-CE2 3.51Å; L479-Y527 HydrophobicContact CG-CD2 4.42Å; L479-Y527 HydrophobicContact CG-CE2 3.62Å
480	D	95.7	Very high	95.7	Very high	99 Å²	99	45.4 Å²	45.4	53%	0.529	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-48.1	178.7	-83.2	-29.3	0	0	0	112.8	Y478 S484 Y527	Y478-D480 PolarHBondContact O-N 3.1Å; D480-S484 VanDerWaalsContact O-CB 3.24Å; D480-S484 WeakPolarHBondContact O-CB 3.4Å; D480-S484 PolarHBondContact O-N 2.78Å; D480-S484 PolarHBondContact O-OG 3Å; D480-Y527 WeakPolarHBondContact OD1-CE1 3.42Å; D480-Y527 VanDerWaalsContact OD1-CZ 3.27Å; D480-Y527 PolarHBondContact OD1-OH 2.7Å
481	D	95.2	Very high	95.6	Very high	128 Å²	128	47.7 Å²	47.7	68%	0.684	25%	0.245	S	C	*	.	H	α-helix	trans	-70.7	-43.6	-178.8	-72.1	-28.9	0	0	0	110.9	Y478 S484 K485	Y478-D481 PolarHBondContact O-N 3Å; D481-S484 PolarHBondContact O-N 3.04Å; D481-K485 WeakPolarHBondContact O-CB 3.36Å; D481-K485 PolarHBondContact O-N 2.92Å
482	L	96.5	Very high	95.7	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-51.3	178.4	178.6	59.8	0	0	0	111.1	V445 L463 L475 Y478 S484 K485 L486 V516	V445-L482 HydrophobicContact CG2-CD1 3.69Å; L463-L482 HydrophobicContact CD1-CD1 4.44Å; L463-L482 HydrophobicContact CD2-CD1 4.49Å; L475-L482 HydrophobicContact CD1-CD2 4.09Å; Y478-L482 VanDerWaalsContact O-CB 3.26Å; Y478-L482 WeakPolarHBondContact O-CB 3.4Å; Y478-L482 PolarHBondContact O-N 3.32Å; L482-S484 PolarHBondContact O-N 3.26Å; L482-K485 WeakPolarHBondContact O-CB 3.27Å; L482-K485 PolarHBondContact O-N 3.22Å; L482-K485 VanDerWaalsContact O-N 3.16Å; L482-L486 HydrophobicContact CD1-CD1 4.14Å; L482-L486 HydrophobicContact CD1-CG 4.29Å; L482-L486 HydrophobicContact CG-CD1 4.09Å; L482-L486 WeakPolarHBondContact O-CG 3.45Å; L482-L486 PolarHBondContact O-N 3.23Å; L482-V516 HydrophobicContact CD2-CG1 4.06Å; L482-V516 HydrophobicContact CD2-CG2 3.75Å; L482-V516 HydrophobicContact CG-CG2 4.4Å
483	V	96.5	Very high	95.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-46	178.7	161.7	0	0	0	0	111.2	L479 K485 L486 E487 V516 F524 Y527 F531	L479-V483 HydrophobicContact CD1-CG2 3.89Å; L479-V483 HydrophobicContact CG-CG2 4.18Å; L479-V483 WeakPolarHBondContact O-CB 3.44Å; L479-V483 VanDerWaalsContact O-CG2 3.22Å; L479-V483 WeakPolarHBondContact O-CG2 3.19Å; L479-V483 PolarHBondContact O-N 3.39Å; V483-K485 PolarHBondContact O-N 3.04Å; V483-L486 PolarHBondContact O-N 3.28Å; V483-E487 WeakPolarHBondContact O-CB 3.36Å; V483-E487 PolarHBondContact O-N 3.49Å; V483-V516 HydrophobicContact CG2-CG1 4.49Å; V483-F524 HydrophobicContact CG2-CE2 3.8Å; V483-Y527 HydrophobicContact CB-CD1 4.03Å; V483-Y527 HydrophobicContact CB-CE1 4.29Å; V483-Y527 HydrophobicContact CB-CG 4.27Å; V483-Y527 HydrophobicContact CG1-CD1 3.42Å; V483-Y527 VanDerWaalsContact CG1-CD1 3.42Å; V483-Y527 HydrophobicContact CG1-CE1 4.13Å; V483-Y527 HydrophobicContact CG1-CG 3.68Å; V483-Y527 HydrophobicContact CG2-CD1 4.27Å; V483-Y527 HydrophobicContact CG2-CD2 4.15Å; V483-Y527 HydrophobicContact CG2-CE2 4.47Å; V483-Y527 HydrophobicContact CG2-CG 4.06Å; V483-F531 HydrophobicContact CG1-CE2 3.54Å; V483-F531 HydrophobicContact CG1-CZ 3.79Å
484	S	96.3	Very high	95.7	Very high	48 Å²	48	43 Å²	43	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-34.4	178.8	-60.2	0	0	0	0	111.2	D480 D481 L482 Q488 R530	D480-S484 VanDerWaalsContact O-CB 3.24Å; D480-S484 WeakPolarHBondContact O-CB 3.4Å; D480-S484 PolarHBondContact O-N 2.78Å; D480-S484 PolarHBondContact O-OG 3Å; D481-S484 PolarHBondContact O-N 3.04Å; L482-S484 PolarHBondContact O-N 3.26Å; S484-Q488 PolarHBondContact O-N 3.36Å; S484-Q488 VanDerWaalsContact O-N 3.14Å; S484-R530 PolarHBondContact OG-NH1 3.42Å
485	K	96.8	Very high	95.6	Very high	29 Å²	29	47.1 Å²	47.1	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-69.6	-46.9	175.5	-172.3	56.4	173.1	170.8	0	112.6	V445 L448 N449 D481 L482 V483 E487 Q488 I489	V445-K485 HydrophobicContact CG1-CB 4.29Å; V445-K485 HydrophobicContact CG1-CG 4.02Å; L448-K485 HydrophobicContact CD1-CG 4.4Å; N449-K485 VanDerWaalsContact OD1-CE 3.22Å; N449-K485 WeakPolarHBondContact OD1-CE 3.36Å; N449-K485 PolarHBondContact OD1-NZ 3.25Å; D481-K485 WeakPolarHBondContact O-CB 3.36Å; D481-K485 PolarHBondContact O-N 2.92Å; L482-K485 WeakPolarHBondContact O-CB 3.27Å; L482-K485 PolarHBondContact O-N 3.22Å; L482-K485 VanDerWaalsContact O-N 3.16Å; V483-K485 PolarHBondContact O-N 3.04Å; K485-E487 VanDerWaalsContact C-N 3.33Å; K485-E487 PolarHBondContact O-N 2.95Å; K485-Q488 WeakPolarHBondContact O-CB 3.49Å; K485-Q488 PolarHBondContact O-N 3.24Å; K485-I489 HydrophobicContact CD-CD1 4.28Å; K485-I489 HydrophobicContact CG-CD1 4.09Å; K485-I489 WeakPolarHBondContact O-CG1 3.38Å; K485-I489 PolarHBondContact O-N 3.09Å; K485-I489 VanDerWaalsContact O-N 3.09Å
486	L	97.4	Very high	95.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-41.2	177.9	-67.9	172.6	0	0	0	111.3	L448 L482 V483 Q488 I489 M490 I509 T512 V513 V516 F531	L448-L486 HydrophobicContact CD1-CD2 4.08Å; L482-L486 HydrophobicContact CD1-CD1 4.14Å; L482-L486 HydrophobicContact CD1-CG 4.29Å; L482-L486 HydrophobicContact CG-CD1 4.09Å; L482-L486 WeakPolarHBondContact O-CG 3.45Å; L482-L486 PolarHBondContact O-N 3.23Å; V483-L486 PolarHBondContact O-N 3.28Å; L486-Q488 PolarHBondContact O-N 3.47Å; L486-I489 PolarHBondContact O-N 2.83Å; L486-M490 VanDerWaalsContact O-CB 3.26Å; L486-M490 WeakPolarHBondContact O-CB 3.44Å; L486-M490 PolarHBondContact O-N 3.01Å; L486-I509 HydrophobicContact CD2-CD1 4.07Å; L486-I509 HydrophobicContact CD2-CG2 4.36Å; L486-T512 HydrophobicContact CD1-CG2 4.3Å; L486-T512 HydrophobicContact CD2-CG2 3.88Å; L486-V513 HydrophobicContact CB-CG2 3.86Å; L486-V513 HydrophobicContact CD1-CG2 4.03Å; L486-V513 HydrophobicContact CG-CG2 4.4Å; L486-V516 HydrophobicContact CD1-CB 4.5Å; L486-V516 HydrophobicContact CD1-CG2 3.99Å; L486-F531 HydrophobicContact CB-CE1 4.47Å; L486-F531 HydrophobicContact CB-CZ 4.42Å
487	E	96.7	Very high	95.3	Very high	46 Å²	46	47.3 Å²	47.3	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-45.8	174.1	179.9	-176.3	-172.9	0	0	111.6	V483 K485 I489 N491 R530 F531	V483-E487 WeakPolarHBondContact O-CB 3.36Å; V483-E487 PolarHBondContact O-N 3.49Å; K485-E487 VanDerWaalsContact C-N 3.33Å; K485-E487 PolarHBondContact O-N 2.95Å; E487-I489 PolarHBondContact O-N 3.13Å; E487-N491 WeakPolarHBondContact O-CB 3.37Å; E487-N491 PolarHBondContact O-N 2.98Å; E487-N491 VanDerWaalsContact O-N 3.08Å; E487-N491 PolarHBondContact O-ND2 2.94Å; E487-R530 WeakPolarHBondContact OE2-CD 3.41Å; E487-R530 IonicContact OE2-CZ 3.4Å; E487-R530 IonicContact OE2-NE 3.27Å; E487-R530 IonicContact OE2-NH1 3.11Å; E487-R530 PolarHBondContact OE2-NH1 2.96Å; E487-F531 HydrophobicContact CB-CE1 4.06Å; E487-F531 HydrophobicContact CB-CZ 4.01Å
488	Q	96.5	Very high	95.1	Very high	119 Å²	119	45.8 Å²	45.8	56%	0.556	24%	0.24	S	C	*	.	H	α-helix	trans	-59.2	-47.7	177.4	-175.1	-166.7	5.1	0	0	111.4	S484 K485 L486 S492	S484-Q488 PolarHBondContact O-N 3.36Å; S484-Q488 VanDerWaalsContact O-N 3.14Å; K485-Q488 WeakPolarHBondContact O-CB 3.49Å; K485-Q488 PolarHBondContact O-N 3.24Å; L486-Q488 PolarHBondContact O-N 3.47Å; Q488-S492 WeakPolarHBondContact O-CB 3.36Å; Q488-S492 PolarHBondContact O-N 3.23Å; Q488-S492 VanDerWaalsContact O-N 3.08Å
489	I	96.4	Very high	94.8	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-69.7	-45.7	-176.6	-63.2	166.7	0	0	0	110.5	L448 K485 L486 E487 N491 S492 K493 V505 I509	L448-I489 HydrophobicContact CB-CD1 3.6Å; L448-I489 HydrophobicContact CD1-CD1 4Å; L448-I489 HydrophobicContact CD2-CD1 4.49Å; L448-I489 HydrophobicContact CG-CD1 4.28Å; K485-I489 HydrophobicContact CD-CD1 4.28Å; K485-I489 HydrophobicContact CG-CD1 4.09Å; K485-I489 WeakPolarHBondContact O-CG1 3.38Å; K485-I489 PolarHBondContact O-N 3.09Å; K485-I489 VanDerWaalsContact O-N 3.09Å; L486-I489 PolarHBondContact O-N 2.83Å; E487-I489 PolarHBondContact O-N 3.13Å; I489-N491 VanDerWaalsContact C-N 3.31Å; I489-N491 PolarHBondContact O-N 3.29Å; I489-S492 PolarHBondContact O-N 3.35Å; I489-S492 VanDerWaalsContact O-N 3.16Å; I489-K493 HydrophobicContact CG2-CG 3.91Å; I489-K493 WeakPolarHBondContact O-CB 3.47Å; I489-K493 WeakPolarHBondContact O-CG 3.42Å; I489-K493 PolarHBondContact O-N 3.43Å; I489-V505 HydrophobicContact CG2-CG1 4.31Å; I489-I509 HydrophobicContact CD1-CD1 4.48Å; I489-I509 HydrophobicContact CG2-CD1 3.97Å; I489-I509 HydrophobicContact CG2-CG1 3.78Å
490	M	95.5	Very high	94.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-55.5	-48	178.2	-175.7	-172.9	64.9	0	0	110.8	L486 S492 K493 F494 L506 I509 F531 V534 L535	L486-M490 VanDerWaalsContact O-CB 3.26Å; L486-M490 WeakPolarHBondContact O-CB 3.44Å; L486-M490 PolarHBondContact O-N 3.01Å; M490-S492 PolarHBondContact O-N 2.85Å; M490-K493 PolarHBondContact O-N 3.31Å; M490-F494 WeakPolarHBondContact O-CB 3.43Å; M490-F494 PolarHBondContact O-N 3.33Å; M490-L506 HydrophobicContact CG-CD1 4.12Å; M490-I509 HydrophobicContact CB-CG2 4.02Å; M490-F531 HydrophobicContact CE-CD1 3.44Å; M490-F531 VanDerWaalsContact CE-CD1 3.44Å; M490-F531 HydrophobicContact CE-CE1 4.06Å; M490-F531 HydrophobicContact CE-CG 4.37Å; M490-F531 HydrophobicContact SD-CD1 3.76Å; M490-F531 HydrophobicContact SD-CE1 4.37Å; M490-V534 HydrophobicContact CE-CB 3.91Å; M490-V534 HydrophobicContact CE-CG1 3.99Å; M490-V534 HydrophobicContact CE-CG2 4.2Å; M490-V534 HydrophobicContact SD-CG1 4.31Å; M490-L535 HydrophobicContact SD-CD2 4.34Å
491	N	94.5	Very high	94.3	Very high	60 Å²	60	53.8 Å²	53.8	32%	0.321	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-43.2	177.9	-76.2	-48.5	0	0	0	112.3	E487 I489 Q495	E487-N491 WeakPolarHBondContact O-CB 3.37Å; E487-N491 PolarHBondContact O-N 2.98Å; E487-N491 VanDerWaalsContact O-N 3.08Å; E487-N491 PolarHBondContact O-ND2 2.94Å; I489-N491 VanDerWaalsContact C-N 3.31Å; I489-N491 PolarHBondContact O-N 3.29Å; N491-Q495 WeakPolarHBondContact O-CG 3.41Å; N491-Q495 PolarHBondContact O-N 3.11Å
492	S	95.2	Very high	94.1	Very high	73 Å²	73	51.9 Å²	51.9	51%	0.51	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-46	178.3	-172.3	0	0	0	0	112.1	Q488 I489 M490 Q495 E496	Q488-S492 WeakPolarHBondContact O-CB 3.36Å; Q488-S492 PolarHBondContact O-N 3.23Å; Q488-S492 VanDerWaalsContact O-N 3.08Å; I489-S492 PolarHBondContact O-N 3.35Å; I489-S492 VanDerWaalsContact O-N 3.16Å; M490-S492 PolarHBondContact O-N 2.85Å; S492-Q495 PolarHBondContact O-N 2.96Å; S492-E496 PolarHBondContact O-N 3.09Å
493	K	94.7	Very high	93.9	Very high	26 Å²	26	54.2 Å²	54.2	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-76.1	-27.7	-177.4	-65	-59.8	-177.5	176.5	0	112.7	I489 M490 E496 M497 V505 L506	I489-K493 HydrophobicContact CG2-CG 3.91Å; I489-K493 WeakPolarHBondContact O-CB 3.47Å; I489-K493 WeakPolarHBondContact O-CG 3.42Å; I489-K493 PolarHBondContact O-N 3.43Å; M490-K493 PolarHBondContact O-N 3.31Å; K493-E496 WeakPolarHBondContact CD-OE2 3.34Å; K493-E496 WeakPolarHBondContact CE-OE2 3.41Å; K493-E496 IonicContact NZ-OE1 3.82Å; K493-E496 IonicContact NZ-OE2 3.21Å; K493-E496 PolarHBondContact NZ-OE2 2.89Å; K493-E496 PolarHBondContact O-N 3.08Å; K493-M497 WeakPolarHBondContact O-CB 3.42Å; K493-M497 PolarHBondContact O-N 3Å; K493-V505 HydrophobicContact CD-CB 4.12Å; K493-V505 HydrophobicContact CD-CG1 4.23Å; K493-V505 HydrophobicContact CG-CB 4.09Å; K493-V505 HydrophobicContact CG-CG1 3.86Å; K493-L506 HydrophobicContact CB-CB 4.11Å; K493-L506 HydrophobicContact CB-CD1 4.41Å
494	F	93.4	Very high	93.8	Very high	22 Å²	22	55 Å²	55	10%	0.096	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-44.3	167.6	175.8	-103.5	0	0	0	111.8	M490 M497 V498 L506 V534 Y537 I538	M490-F494 WeakPolarHBondContact O-CB 3.43Å; M490-F494 PolarHBondContact O-N 3.33Å; F494-M497 HydrophobicContact CD2-CE 4.12Å; F494-M497 HydrophobicContact CE2-CE 3.97Å; F494-M497 PolarHBondContact O-N 3.38Å; F494-V498 HydrophobicContact CE1-CG2 4.27Å; F494-V498 HydrophobicContact CE2-CG2 4.22Å; F494-V498 HydrophobicContact CZ-CG2 3.98Å; F494-V498 WeakPolarHBondContact O-CG2 3.34Å; F494-V498 PolarHBondContact O-N 2.9Å; F494-V498 VanDerWaalsContact O-N 3.1Å; F494-L506 HydrophobicContact CB-CD1 4.26Å; F494-L506 HydrophobicContact CB-CD2 4.44Å; F494-L506 HydrophobicContact CD2-CD2 4.37Å; F494-V534 HydrophobicContact CG-CG1 4.39Å; F494-Y537 HydrophobicContact CE1-CD1 4.44Å; F494-Y537 AromaticContact CE2-CD1 3.89Å; F494-Y537 HydrophobicContact CE2-CD1 3.89Å; F494-Y537 HydrophobicContact CE2-CE1 4.19Å; F494-Y537 AromaticContact CZ-CD1 3.41Å; F494-Y537 HydrophobicContact CZ-CD1 3.41Å; F494-Y537 VanDerWaalsContact CZ-CD1 3.41Å; F494-Y537 AromaticContact CZ-CE1 3.52Å; F494-Y537 HydrophobicContact CZ-CE1 3.52Å; F494-Y537 HydrophobicContact CZ-CG 4.45Å; F494-I538 HydrophobicContact CD2-CD1 3.88Å; F494-I538 HydrophobicContact CD2-CG1 3.66Å; F494-I538 HydrophobicContact CE2-CD1 4.36Å; F494-I538 HydrophobicContact CE2-CG1 3.62Å
495	Q	93	Very high	93.8	Very high	99 Å²	99	52.9 Å²	52.9	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-42.9	173.6	-64.7	-61.3	-31.8	0	0	111.6	N491 S492 M497 V498 E499	N491-Q495 WeakPolarHBondContact O-CG 3.41Å; N491-Q495 PolarHBondContact O-N 3.11Å; S492-Q495 PolarHBondContact O-N 2.96Å; Q495-M497 VanDerWaalsContact C-N 3.3Å; Q495-M497 PolarHBondContact O-N 3.03Å; Q495-V498 PolarHBondContact O-N 2.92Å; Q495-V498 VanDerWaalsContact O-N 3.12Å; Q495-E499 WeakPolarHBondContact O-CB 3.49Å; Q495-E499 WeakPolarHBondContact O-CG 3.46Å; Q495-E499 PolarHBondContact O-N 3.24Å
496	E	92.3	Very high	93.8	Very high	36 Å²	36	51.6 Å²	51.6	17%	0.168	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-39.2	176.8	-163	179.4	157.6	0	0	112.2	S492 K493 E499 H500 R502	S492-E496 PolarHBondContact O-N 3.09Å; K493-E496 WeakPolarHBondContact CD-OE2 3.34Å; K493-E496 WeakPolarHBondContact CE-OE2 3.41Å; K493-E496 IonicContact NZ-OE1 3.82Å; K493-E496 IonicContact NZ-OE2 3.21Å; K493-E496 PolarHBondContact NZ-OE2 2.89Å; K493-E496 PolarHBondContact O-N 3.08Å; E496-E499 PolarHBondContact O-N 3.35Å; E496-H500 WeakPolarHBondContact O-CA 3.39Å; E496-H500 WeakPolarHBondContact O-CB 3.33Å; E496-H500 PolarHBondContact O-N 2.69Å; E496-R502 HydrophobicContact CG-CB 4.21Å; E496-R502 WeakPolarHBondContact OE1-CD 3.48Å; E496-R502 IonicContact OE1-NH1 2.84Å; E496-R502 PolarHBondContact OE1-NH1 3.06Å
497	M	92.6	Very high	93.7	Very high	24 Å²	24	52.7 Å²	52.7	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-43.8	173.8	-173.9	-149.2	65.8	0	0	111.7	K493 F494 Q495 G501 R502 K503 L506 L547 L550	K493-M497 WeakPolarHBondContact O-CB 3.42Å; K493-M497 PolarHBondContact O-N 3Å; F494-M497 HydrophobicContact CD2-CE 4.12Å; F494-M497 HydrophobicContact CE2-CE 3.97Å; F494-M497 PolarHBondContact O-N 3.38Å; Q495-M497 VanDerWaalsContact C-N 3.3Å; Q495-M497 PolarHBondContact O-N 3.03Å; M497-G501 WeakPolarHBondContact O-CA 3.1Å; M497-G501 PolarHBondContact O-N 2.82Å; M497-R502 WeakPolarHBondContact CA-O 3.12Å; M497-R502 WeakPolarHBondContact CB-O 3.3Å; M497-R502 PolarHBondContact N-O 3.47Å; M497-K503 HydrophobicContact CG-CB 4.37Å; M497-L506 HydrophobicContact CB-CD2 4Å; M497-L506 HydrophobicContact CG-CD2 4.24Å; M497-L506 HydrophobicContact SD-CD2 3.67Å; M497-L547 HydrophobicContact SD-CD2 4.33Å; M497-L550 HydrophobicContact SD-CD2 3.41Å; M497-L550 WeakPolarHBondContact SD-CD2 3.48Å
498	V	89.8	Confident	93.7	Very high	87 Å²	87	52.4 Å²	52.4	53%	0.527	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-38.8	178.9	173.2	0	0	0	0	111.7	F494 Q495	F494-V498 HydrophobicContact CE1-CG2 4.27Å; F494-V498 HydrophobicContact CE2-CG2 4.22Å; F494-V498 HydrophobicContact CZ-CG2 3.98Å; F494-V498 WeakPolarHBondContact O-CG2 3.34Å; F494-V498 PolarHBondContact O-N 2.9Å; F494-V498 VanDerWaalsContact O-N 3.1Å; Q495-V498 PolarHBondContact O-N 2.92Å; Q495-V498 VanDerWaalsContact O-N 3.12Å
499	E	91.7	Very high	93.7	Very high	135 Å²	135	46.7 Å²	46.7	63%	0.631	24%	0.243	S	C	*	.	H	α-helix	trans	-82.4	-36.9	-176	-69.4	-179.1	170.1	0	0	113.5	Q495 E496	Q495-E499 WeakPolarHBondContact O-CB 3.49Å; Q495-E499 WeakPolarHBondContact O-CG 3.46Å; Q495-E499 PolarHBondContact O-N 3.24Å; E496-E499 PolarHBondContact O-N 3.35Å
500	H	90.5	Very high	93.8	Very high	137 Å²	137	46.3 Å²	46.3	63%	0.634	24%	0.241	S	C	*	.	H	α-helix	trans	-126.5	-6.5	-168.7	-59.7	-57	0	0	0	114.5	E496 R502	E496-H500 WeakPolarHBondContact O-CA 3.39Å; E496-H500 WeakPolarHBondContact O-CB 3.33Å; E496-H500 PolarHBondContact O-N 2.69Å; H500-R502 HydrophobicContact CB-CG 4.38Å; H500-R502 PolarHBondContact O-N 3.46Å
501	G	89.2	Confident	93.9	Very high	48 Å²	48	47.4 Å²	47.4	50%	0.495	25%	0.248	S	C	.	.			trans	75.6	8.2	-176.1	0	0	0	0	0	114.5	M497	M497-G501 WeakPolarHBondContact O-CA 3.1Å; M497-G501 PolarHBondContact O-N 2.82Å
502	R	90.6	Very high	94	Very high	88 Å²	88	44.6 Å²	44.6	33%	0.332	23%	0.232	S	C	.	.			trans	-78	124.1	-179.7	-73.2	-178.2	169.6	-164.5	-6.7	112.1	D323 E496 M497 H500	D323-R502 HydrophobicContact CB-CG 4.26Å; D323-R502 WeakPolarHBondContact OD2-CA 3.37Å; E496-R502 HydrophobicContact CG-CB 4.21Å; E496-R502 WeakPolarHBondContact OE1-CD 3.48Å; E496-R502 IonicContact OE1-NH1 2.84Å; E496-R502 PolarHBondContact OE1-NH1 3.06Å; M497-R502 WeakPolarHBondContact CA-O 3.12Å; M497-R502 WeakPolarHBondContact CB-O 3.3Å; M497-R502 PolarHBondContact N-O 3.47Å; H500-R502 HydrophobicContact CB-CG 4.38Å; H500-R502 PolarHBondContact O-N 3.46Å
503	K	93.1	Very high	94.2	Very high	52 Å²	52	41.1 Å²	41.1	23%	0.226	21%	0.208	C	C	.	.			trans	-129.5	-17.7	-167.4	64.6	-170.6	178.7	-166.1	0	115.1	D323 M497 V505 L506 M507 D546 L547	D323-K503 PolarHBondContact OD1-N 3.33Å; D323-K503 VanDerWaalsContact OD1-N 3.14Å; D323-K503 PolarHBondContact OD2-N 3.21Å; M497-K503 HydrophobicContact CG-CB 4.37Å; K503-V505 PolarHBondContact O-N 3.47Å; K503-L506 PolarHBondContact O-N 2.67Å; K503-L506 VanDerWaalsContact O-N 3.14Å; K503-M507 HydrophobicContact CG-CE 4.02Å; K503-M507 HydrophobicContact CG-SD 4.48Å; K503-M507 WeakPolarHBondContact O-CG 3.47Å; K503-M507 PolarHBondContact O-N 2.84Å; K503-D546 PolarHBondContact NZ-O 2.94Å; K503-L547 HydrophobicContact CD-CD2 3.87Å
504	L	94.8	Very high	94.3	Very high	17 Å²	17	40 Å²	40	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-51.9	-56.6	-173.4	175.9	63.5	0	0	0	112.6	D323 T324 P453 R454 A457 L506 M507 Q508	D323-L504 VanDerWaalsContact OD1-CB 3.24Å; D323-L504 WeakPolarHBondContact OD1-CB 3.45Å; D323-L504 PolarHBondContact OD1-N 2.8Å; T324-L504 WeakPolarHBondContact O-CD2 3.38Å; P453-L504 HydrophobicContact CB-CD2 4.12Å; R454-L504 HydrophobicContact CG-CD2 4.03Å; A457-L504 HydrophobicContact CB-CD1 4.46Å; A457-L504 HydrophobicContact CB-CD2 4.38Å; A457-L504 HydrophobicContact CB-CG 4.04Å; L504-L506 VanDerWaalsContact C-N 3.33Å; L504-L506 PolarHBondContact O-N 2.94Å; L504-M507 PolarHBondContact O-N 3.14Å; L504-Q508 PolarHBondContact O-N 2.97Å
505	V	96	Very high	94.5	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-37.8	-177.7	-175.1	0	0	0	0	111	P453 Q456 I489 K493 K503 M507 Q508 I509	P453-V505 HydrophobicContact CB-CG2 3.92Å; Q456-V505 HydrophobicContact CB-CG1 4.38Å; Q456-V505 HydrophobicContact CB-CG2 4.24Å; Q456-V505 HydrophobicContact CG-CG1 3.81Å; Q456-V505 HydrophobicContact CG-CG2 4.5Å; I489-V505 HydrophobicContact CG2-CG1 4.31Å; K493-V505 HydrophobicContact CD-CB 4.12Å; K493-V505 HydrophobicContact CD-CG1 4.23Å; K493-V505 HydrophobicContact CG-CB 4.09Å; K493-V505 HydrophobicContact CG-CG1 3.86Å; K503-V505 PolarHBondContact O-N 3.47Å; V505-M507 PolarHBondContact O-N 3.48Å; V505-Q508 PolarHBondContact O-N 3.06Å; V505-I509 HydrophobicContact CG1-CG1 3.92Å; V505-I509 WeakPolarHBondContact O-CB 3.46Å; V505-I509 WeakPolarHBondContact O-CG1 3.49Å; V505-I509 PolarHBondContact O-N 3.1Å
506	L	95.9	Very high	94.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-45.3	178.7	-179.4	62.6	0	0	0	111	M490 K493 F494 M497 K503 L504 Q508 I509 V510 I538 L550	M490-L506 HydrophobicContact CG-CD1 4.12Å; K493-L506 HydrophobicContact CB-CB 4.11Å; K493-L506 HydrophobicContact CB-CD1 4.41Å; F494-L506 HydrophobicContact CB-CD1 4.26Å; F494-L506 HydrophobicContact CB-CD2 4.44Å; F494-L506 HydrophobicContact CD2-CD2 4.37Å; M497-L506 HydrophobicContact CB-CD2 4Å; M497-L506 HydrophobicContact CG-CD2 4.24Å; M497-L506 HydrophobicContact SD-CD2 3.67Å; K503-L506 PolarHBondContact O-N 2.67Å; K503-L506 VanDerWaalsContact O-N 3.14Å; L504-L506 VanDerWaalsContact C-N 3.33Å; L504-L506 PolarHBondContact O-N 2.94Å; L506-Q508 VanDerWaalsContact C-N 3.34Å; L506-Q508 PolarHBondContact O-N 3.49Å; L506-I509 PolarHBondContact O-N 2.85Å; L506-V510 HydrophobicContact CD1-CG2 4.38Å; L506-V510 VanDerWaalsContact O-CG2 3.28Å; L506-V510 WeakPolarHBondContact O-CG2 3.42Å; L506-V510 PolarHBondContact O-N 3.44Å; L506-I538 HydrophobicContact CD1-CD1 4.49Å; L506-I538 HydrophobicContact CD2-CD1 4.46Å; L506-L550 HydrophobicContact CD2-CD1 4.19Å; L506-L550 HydrophobicContact CD2-CD2 3.93Å; L506-L550 HydrophobicContact CG-CD1 4.02Å
507	M	95.1	Very high	94.9	Very high	24 Å²	24	33.3 Å²	33.3	12%	0.118	18%	0.175	C	C	.	.	H	α-helix	trans	-57.1	-48.1	176.6	-72.4	-171.9	-57.9	0	0	111.3	K503 L504 V505 V510 T511 L549 L550 K553	K503-M507 HydrophobicContact CG-CE 4.02Å; K503-M507 HydrophobicContact CG-SD 4.48Å; K503-M507 WeakPolarHBondContact O-CG 3.47Å; K503-M507 PolarHBondContact O-N 2.84Å; L504-M507 PolarHBondContact O-N 3.14Å; V505-M507 PolarHBondContact O-N 3.48Å; M507-V510 PolarHBondContact O-N 3.17Å; M507-T511 PolarHBondContact O-N 3.44Å; M507-T511 PolarHBondContact O-OG1 3.14Å; M507-L549 HydrophobicContact SD-CB 4.35Å; M507-L549 HydrophobicContact SD-CD2 4.12Å; M507-L549 HydrophobicContact SD-CG 4.19Å; M507-L550 HydrophobicContact CB-CD1 4.39Å; M507-L550 HydrophobicContact CG-CB 3.69Å; M507-L550 HydrophobicContact CG-CD1 3.65Å; M507-L550 HydrophobicContact CG-CG 4.22Å; M507-L550 HydrophobicContact SD-CB 4.07Å; M507-K553 HydrophobicContact CB-CD 4.18Å
508	Q	96.9	Very high	95.1	Very high	40 Å²	40	36 Å²	36	19%	0.187	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-42.4	-178.7	-173.1	53.5	45.4	0	0	112.6	A457 L504 V505 L506 V510 T511 T512	A457-Q508 HydrophobicContact CB-CB 4.08Å; A457-Q508 HydrophobicContact CB-CG 4.26Å; A457-Q508 WeakPolarHBondContact O-CG 2.94Å; L504-Q508 PolarHBondContact O-N 2.97Å; V505-Q508 PolarHBondContact O-N 3.06Å; L506-Q508 VanDerWaalsContact C-N 3.34Å; L506-Q508 PolarHBondContact O-N 3.49Å; Q508-V510 VanDerWaalsContact C-N 3.29Å; Q508-V510 PolarHBondContact O-N 3.34Å; Q508-T511 CarbonylContact O-C 3.59Å; Q508-T511 WeakPolarHBondContact O-CA 3.47Å; Q508-T511 WeakPolarHBondContact O-CB 3.48Å; Q508-T511 PolarHBondContact O-N 2.94Å; Q508-T511 VanDerWaalsContact O-N 3.1Å; Q508-T512 PolarHBondContact O-N 3.38Å; Q508-T512 PolarHBondContact O-OG1 3.38Å; Q508-T512 VanDerWaalsContact O-OG1 3.06Å
509	I	97.4	Very high	95.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-34.9	179.9	-66.9	-69.2	0	0	0	111.5	L448 L486 I489 M490 V505 L506 T511 T512 V513	L448-I509 HydrophobicContact CD2-CD1 3.94Å; L486-I509 HydrophobicContact CD2-CD1 4.07Å; L486-I509 HydrophobicContact CD2-CG2 4.36Å; I489-I509 HydrophobicContact CD1-CD1 4.48Å; I489-I509 HydrophobicContact CG2-CD1 3.97Å; I489-I509 HydrophobicContact CG2-CG1 3.78Å; M490-I509 HydrophobicContact CB-CG2 4.02Å; V505-I509 HydrophobicContact CG1-CG1 3.92Å; V505-I509 WeakPolarHBondContact O-CB 3.46Å; V505-I509 WeakPolarHBondContact O-CG1 3.49Å; V505-I509 PolarHBondContact O-N 3.1Å; L506-I509 PolarHBondContact O-N 2.85Å; I509-T511 VanDerWaalsContact C-N 3.33Å; I509-T512 PolarHBondContact O-N 3.29Å; I509-V513 HydrophobicContact CG2-CG2 4.43Å; I509-V513 VanDerWaalsContact O-CG2 3.31Å; I509-V513 WeakPolarHBondContact O-CG2 3.5Å; I509-V513 PolarHBondContact O-N 2.96Å
510	V	97.4	Very high	95.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.2	-44.3	172	167.9	0	0	0	0	110.8	L506 M507 Q508 V513 A514 L535 K553 C557	L506-V510 HydrophobicContact CD1-CG2 4.38Å; L506-V510 VanDerWaalsContact O-CG2 3.28Å; L506-V510 WeakPolarHBondContact O-CG2 3.42Å; L506-V510 PolarHBondContact O-N 3.44Å; M507-V510 PolarHBondContact O-N 3.17Å; Q508-V510 VanDerWaalsContact C-N 3.29Å; Q508-V510 PolarHBondContact O-N 3.34Å; V510-V513 PolarHBondContact O-N 3.39Å; V510-A514 PolarHBondContact O-N 3.5Å; V510-A514 VanDerWaalsContact O-N 3.1Å; V510-L535 HydrophobicContact CG1-CD2 4.27Å; V510-L535 HydrophobicContact CG2-CD2 4.2Å; V510-K553 HydrophobicContact CG1-CB 4.37Å; V510-K553 WeakPolarHBondContact CG1-O 3.05Å; V510-C557 HydrophobicContact CG1-CB 3.59Å; V510-C557 PolarHBondContact O-SG 2.92Å; V510-C557 VanDerWaalsContact O-SG 3.33Å
511	T	97.1	Very high	95.8	Very high	23 Å²	23	25 Å²	25	14%	0.141	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-43	173.8	-62.2	0	0	0	0	112	V464 M507 Q508 I509 V513 A514 S515 K553	V464-T511 HydrophobicContact CG2-CG2 4.19Å; M507-T511 PolarHBondContact O-N 3.44Å; M507-T511 PolarHBondContact O-OG1 3.14Å; Q508-T511 CarbonylContact O-C 3.59Å; Q508-T511 WeakPolarHBondContact O-CA 3.47Å; Q508-T511 WeakPolarHBondContact O-CB 3.48Å; Q508-T511 PolarHBondContact O-N 2.94Å; Q508-T511 VanDerWaalsContact O-N 3.1Å; I509-T511 VanDerWaalsContact C-N 3.33Å; T511-V513 PolarHBondContact O-N 3.44Å; T511-A514 VanDerWaalsContact O-CB 3.31Å; T511-A514 WeakPolarHBondContact O-CB 3.44Å; T511-A514 PolarHBondContact O-N 3.06Å; T511-A514 VanDerWaalsContact O-N 3.11Å; T511-S515 PolarHBondContact O-N 3.1Å; T511-K553 PolarHBondContact OG1-NZ 3.36Å
512	T	97.9	Very high	96	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.1	-42.2	176.4	-51.8	0	0	0	0	112.1	G460 L463 L486 Q508 I509 A514 S515 V516	G460-T512 VanDerWaalsContact C-OG1 3.32Å; G460-T512 WeakPolarHBondContact CA-OG1 3.33Å; G460-T512 PolarHBondContact O-OG1 2.85Å; L463-T512 HydrophobicContact CB-CG2 3.82Å; L463-T512 HydrophobicContact CD1-CG2 4.36Å; L486-T512 HydrophobicContact CD1-CG2 4.3Å; L486-T512 HydrophobicContact CD2-CG2 3.88Å; Q508-T512 PolarHBondContact O-N 3.38Å; Q508-T512 PolarHBondContact O-OG1 3.38Å; Q508-T512 VanDerWaalsContact O-OG1 3.06Å; I509-T512 PolarHBondContact O-N 3.29Å; T512-A514 VanDerWaalsContact C-N 3.28Å; T512-A514 PolarHBondContact O-N 2.84Å; T512-S515 PolarHBondContact O-N 3.45Å; T512-V516 VanDerWaalsContact O-CG2 3.3Å; T512-V516 WeakPolarHBondContact O-CG2 3.16Å; T512-V516 PolarHBondContact O-N 3.26Å
513	V	98.1	Very high	96.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-39.6	174.8	170.7	0	0	0	0	111	L486 I509 V510 T511 V516 A517 F524 F531 I561	L486-V513 HydrophobicContact CB-CG2 3.86Å; L486-V513 HydrophobicContact CD1-CG2 4.03Å; L486-V513 HydrophobicContact CG-CG2 4.4Å; I509-V513 HydrophobicContact CG2-CG2 4.43Å; I509-V513 VanDerWaalsContact O-CG2 3.31Å; I509-V513 WeakPolarHBondContact O-CG2 3.5Å; I509-V513 PolarHBondContact O-N 2.96Å; V510-V513 PolarHBondContact O-N 3.39Å; T511-V513 PolarHBondContact O-N 3.44Å; V513-V516 PolarHBondContact O-N 3.04Å; V513-A517 WeakPolarHBondContact O-CB 3.32Å; V513-A517 PolarHBondContact O-N 3.4Å; V513-F524 HydrophobicContact CG1-CZ 4.33Å; V513-F531 HydrophobicContact CG1-CD1 3.89Å; V513-F531 HydrophobicContact CG1-CD2 4.43Å; V513-F531 HydrophobicContact CG1-CE1 4.02Å; V513-F531 HydrophobicContact CG1-CG 4.12Å; V513-F531 HydrophobicContact CG1-CZ 4.33Å; V513-F531 HydrophobicContact CG2-CD1 4.13Å; V513-F531 HydrophobicContact CG2-CE1 3.66Å; V513-F531 HydrophobicContact CG2-CZ 4.23Å; V513-I561 HydrophobicContact CG1-CD1 4.09Å
514	A	97.1	Very high	96.4	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-48.6	178.1	0	0	0	0	0	111.7	V510 T511 T512 A517 D518 C557 L560	V510-A514 PolarHBondContact O-N 3.5Å; V510-A514 VanDerWaalsContact O-N 3.1Å; T511-A514 VanDerWaalsContact O-CB 3.31Å; T511-A514 WeakPolarHBondContact O-CB 3.44Å; T511-A514 PolarHBondContact O-N 3.06Å; T511-A514 VanDerWaalsContact O-N 3.11Å; T512-A514 VanDerWaalsContact C-N 3.28Å; T512-A514 PolarHBondContact O-N 2.84Å; A514-A517 PolarHBondContact O-N 3.49Å; A514-D518 PolarHBondContact O-N 3.1Å; A514-C557 HydrophobicContact CB-CB 3.93Å; A514-L560 HydrophobicContact CB-CB 4.46Å; A514-L560 HydrophobicContact CB-CD1 3.79Å
515	S	97.2	Very high	96.5	Very high	16 Å²	16	32.3 Å²	32.3	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-41.9	177.5	177.9	0	0	0	0	112.4	C467 T511 T512 A517 D518 A519	C467-S515 WeakPolarHBondContact CB-OG 3.42Å; T511-S515 PolarHBondContact O-N 3.1Å; T512-S515 PolarHBondContact O-N 3.45Å; S515-A517 VanDerWaalsContact C-N 3.34Å; S515-A517 PolarHBondContact O-N 2.95Å; S515-D518 PolarHBondContact O-N 3.17Å; S515-A519 WeakPolarHBondContact O-CB 3.44Å; S515-A519 PolarHBondContact O-N 3.5Å
516	V	97.5	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-40.2	174.7	172.1	0	0	0	0	111.7	L479 L482 V483 L486 T512 V513 A520 F524	L479-V516 HydrophobicContact CD1-CG1 3.65Å; L482-V516 HydrophobicContact CD2-CG1 4.06Å; L482-V516 HydrophobicContact CD2-CG2 3.75Å; L482-V516 HydrophobicContact CG-CG2 4.4Å; V483-V516 HydrophobicContact CG2-CG1 4.49Å; L486-V516 HydrophobicContact CD1-CB 4.5Å; L486-V516 HydrophobicContact CD1-CG2 3.99Å; T512-V516 VanDerWaalsContact O-CG2 3.3Å; T512-V516 WeakPolarHBondContact O-CG2 3.16Å; T512-V516 PolarHBondContact O-N 3.26Å; V513-V516 PolarHBondContact O-N 3.04Å; V516-A520 WeakPolarHBondContact O-CB 3.43Å; V516-A520 PolarHBondContact O-N 3.33Å; V516-F524 HydrophobicContact CG1-CE2 4.22Å
517	A	97.2	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.3	-43.3	178.3	0	0	0	0	0	111.7	V513 A514 S515 A520 E521 F524 I561 A564	V513-A517 WeakPolarHBondContact O-CB 3.32Å; V513-A517 PolarHBondContact O-N 3.4Å; A514-A517 PolarHBondContact O-N 3.49Å; S515-A517 VanDerWaalsContact C-N 3.34Å; S515-A517 PolarHBondContact O-N 2.95Å; A517-A520 PolarHBondContact O-N 3.39Å; A517-E521 PolarHBondContact O-N 3.42Å; A517-F524 HydrophobicContact CB-CD1 3.83Å; A517-F524 HydrophobicContact CB-CD2 3.94Å; A517-F524 HydrophobicContact CB-CE1 3.87Å; A517-F524 HydrophobicContact CB-CE2 3.98Å; A517-F524 HydrophobicContact CB-CG 3.86Å; A517-F524 HydrophobicContact CB-CZ 3.94Å; A517-I561 HydrophobicContact CB-CG1 3.64Å; A517-A564 VanDerWaalsContact O-CB 3.22Å; A517-A564 WeakPolarHBondContact O-CB 3.13Å
518	D	95.9	Very high	96.6	Very high	80 Å²	80	36.3 Å²	36.3	43%	0.428	19%	0.185	S	C	.	.	H	α-helix	trans	-61.1	-51	177.5	-164.4	55.3	0	0	0	111.1	A514 S515 A520 E521 L560	A514-D518 PolarHBondContact O-N 3.1Å; S515-D518 PolarHBondContact O-N 3.17Å; D518-A520 VanDerWaalsContact C-N 3.3Å; D518-A520 PolarHBondContact O-N 2.94Å; D518-E521 WeakPolarHBondContact O-CG 3.46Å; D518-E521 PolarHBondContact O-N 3.41Å; D518-L560 HydrophobicContact CB-CD2 4.38Å
519	A	95.5	Very high	96.6	Very high	20 Å²	20	38.9 Å²	38.9	17%	0.165	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-29.3	177.6	0	0	0	0	0	114	C467 V470 L475 S515	C467-A519 HydrophobicContact CB-CB 4.46Å; C467-A519 WeakPolarHBondContact O-CB 3.41Å; V470-A519 HydrophobicContact CG1-CB 4.37Å; L475-A519 HydrophobicContact CD2-CB 3.63Å; S515-A519 WeakPolarHBondContact O-CB 3.44Å; S515-A519 PolarHBondContact O-N 3.5Å
520	A	96.6	Very high	96.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-83	-20.3	177.9	0	0	0	0	0	113.5	Q472 L475 L479 V516 A517 D518 K522 K523 F524	Q472-A520 PolarHBondContact NE2-O 3.35Å; L475-A520 HydrophobicContact CD2-CB 4.22Å; L479-A520 HydrophobicContact CD1-CB 4.03Å; L479-A520 HydrophobicContact CD2-CB 3.88Å; V516-A520 WeakPolarHBondContact O-CB 3.43Å; V516-A520 PolarHBondContact O-N 3.33Å; A517-A520 PolarHBondContact O-N 3.39Å; D518-A520 VanDerWaalsContact C-N 3.3Å; D518-A520 PolarHBondContact O-N 2.94Å; A520-K522 PolarHBondContact O-N 2.94Å; A520-K523 WeakPolarHBondContact O-CB 3.34Å; A520-K523 PolarHBondContact O-N 3.43Å; A520-F524 HydrophobicContact CB-CB 4.08Å; A520-F524 HydrophobicContact CB-CD2 4.17Å
521	E	94.9	Very high	96.4	Very high	107 Å²	107	43.5 Å²	43.5	50%	0.5	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	42.9	-126.5	-175	-49.3	175.2	156.9	0	0	112.3	Q472 A517 D518 K523 F524 A564	Q472-E521 VanDerWaalsContact NE2-CD 3.28Å; Q472-E521 PolarHBondContact NE2-OE2 2.92Å; A517-E521 PolarHBondContact O-N 3.42Å; D518-E521 WeakPolarHBondContact O-CG 3.46Å; D518-E521 PolarHBondContact O-N 3.41Å; E521-K523 PolarHBondContact O-N 3.49Å; E521-F524 VanDerWaalsContact O-CB 3.28Å; E521-F524 WeakPolarHBondContact O-CB 3.34Å; E521-F524 PolarHBondContact O-N 3.07Å; E521-A564 CarbonylContact C-O 3.41Å
522	K	93.8	Very high	96.3	Very high	166 Å²	166	42.5 Å²	42.5	72%	0.722	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-58.8	-20.9	-179.6	-66.5	-179.5	-179.4	172.3	0	113.3	A520 F524 L525 A564	A520-K522 PolarHBondContact O-N 2.94Å; K522-F524 PolarHBondContact O-N 3.42Å; K522-L525 WeakPolarHBondContact O-CB 3.32Å; K522-L525 PolarHBondContact O-N 3.33Å; K522-A564 WeakPolarHBondContact CA-O 3.3Å; K522-A564 PolarHBondContact N-O 3.02Å
523	K	95.9	Very high	96.1	Very high	112 Å²	112	46.1 Å²	46.1	49%	0.487	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-72	-14.4	176	-55.7	-67.2	-174.6	178.9	0	112.2	Q472 V476 L479 A520 E521 L525 P526	Q472-K523 HydrophobicContact CG-CG 4.36Å; V476-K523 HydrophobicContact CG2-CB 3.99Å; V476-K523 HydrophobicContact CG2-CD 4.25Å; V476-K523 HydrophobicContact CG2-CG 3.68Å; L479-K523 HydrophobicContact CD2-CB 4.16Å; A520-K523 WeakPolarHBondContact O-CB 3.34Å; A520-K523 PolarHBondContact O-N 3.43Å; E521-K523 PolarHBondContact O-N 3.49Å; K523-L525 VanDerWaalsContact C-N 3.29Å; K523-L525 PolarHBondContact O-N 3.28Å; K523-P526 WeakPolarHBondContact O-CD 3.14Å
524	F	97	Very high	95.9	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-77.1	-12.9	175.5	-155.8	-100.6	0	0	0	113.9	V483 V513 V516 A517 A520 E521 K522 P526 Y527 Y528 F531 I561 V565	V483-F524 HydrophobicContact CG2-CE2 3.8Å; V513-F524 HydrophobicContact CG1-CZ 4.33Å; V516-F524 HydrophobicContact CG1-CE2 4.22Å; A517-F524 HydrophobicContact CB-CD1 3.83Å; A517-F524 HydrophobicContact CB-CD2 3.94Å; A517-F524 HydrophobicContact CB-CE1 3.87Å; A517-F524 HydrophobicContact CB-CE2 3.98Å; A517-F524 HydrophobicContact CB-CG 3.86Å; A517-F524 HydrophobicContact CB-CZ 3.94Å; A520-F524 HydrophobicContact CB-CB 4.08Å; A520-F524 HydrophobicContact CB-CD2 4.17Å; E521-F524 VanDerWaalsContact O-CB 3.28Å; E521-F524 WeakPolarHBondContact O-CB 3.34Å; E521-F524 PolarHBondContact O-N 3.07Å; K522-F524 PolarHBondContact O-N 3.42Å; F524-P526 VanDerWaalsContact C-N 3.35Å; F524-P526 VanDerWaalsContact O-N 3.16Å; F524-Y527 HydrophobicContact CD2-CD2 4.03Å; F524-Y527 HydrophobicContact CE2-CD2 4.38Å; F524-Y527 HydrophobicContact CG-CD2 4.31Å; F524-Y527 WeakPolarHBondContact O-CD2 3.28Å; F524-Y527 PolarHBondContact O-N 3.34Å; F524-Y528 PolarHBondContact O-N 2.9Å; F524-F531 HydrophobicContact CE1-CD2 4.19Å; F524-F531 AromaticContact CZ-CD2 3.88Å; F524-F531 HydrophobicContact CZ-CD2 3.88Å; F524-F531 AromaticContact CZ-CE2 3.78Å; F524-F531 HydrophobicContact CZ-CE2 3.78Å; F524-I561 HydrophobicContact CD1-CG2 4.29Å; F524-I561 HydrophobicContact CE1-CD1 4.23Å; F524-I561 HydrophobicContact CE1-CG1 4.01Å; F524-I561 HydrophobicContact CE1-CG2 4.23Å; F524-V565 HydrophobicContact CD1-CG1 4.42Å
525	L	95.9	Very high	95.8	Very high	81 Å²	81	47.1 Å²	47.1	42%	0.424	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-46.9	-44.1	-177.2	-171.9	78.8	0	0	0	114.8	K522 K523 Y527 Y528 V565 K569	K522-L525 WeakPolarHBondContact O-CB 3.32Å; K522-L525 PolarHBondContact O-N 3.33Å; K523-L525 VanDerWaalsContact C-N 3.29Å; K523-L525 PolarHBondContact O-N 3.28Å; L525-Y527 PolarHBondContact O-N 2.91Å; L525-Y528 PolarHBondContact O-N 2.76Å; L525-V565 HydrophobicContact CD1-CB 3.93Å; L525-V565 HydrophobicContact CD1-CG1 4.45Å; L525-K569 HydrophobicContact CD1-CB 3.77Å; L525-K569 HydrophobicContact CD1-CD 4.41Å; L525-K569 HydrophobicContact CD1-CG 3.85Å
526	P	96.5	Very high	95.5	Very high	94 Å²	94	48.7 Å²	48.7	61%	0.61	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-65.6	-18.6	-179.1	-20.2	34.6	0	0	0	114.3	K523 F524	K523-P526 WeakPolarHBondContact O-CD 3.14Å; F524-P526 VanDerWaalsContact C-N 3.35Å; F524-P526 VanDerWaalsContact O-N 3.16Å
527	Y	96.8	Very high	95.2	Very high	18 Å²	18	54.3 Å²	54.3	7%	0.071	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-101.4	-10.6	-174	-46	-72	0	0	0	113.5	L479 D480 V483 F524 L525 D529 R530	L479-Y527 HydrophobicContact CD2-CD2 4.36Å; L479-Y527 HydrophobicContact CD2-CE2 3.51Å; L479-Y527 HydrophobicContact CG-CD2 4.42Å; L479-Y527 HydrophobicContact CG-CE2 3.62Å; D480-Y527 WeakPolarHBondContact OD1-CE1 3.42Å; D480-Y527 VanDerWaalsContact OD1-CZ 3.27Å; D480-Y527 PolarHBondContact OD1-OH 2.7Å; V483-Y527 HydrophobicContact CB-CD1 4.03Å; V483-Y527 HydrophobicContact CB-CE1 4.29Å; V483-Y527 HydrophobicContact CB-CG 4.27Å; V483-Y527 HydrophobicContact CG1-CD1 3.42Å; V483-Y527 VanDerWaalsContact CG1-CD1 3.42Å; V483-Y527 HydrophobicContact CG1-CE1 4.13Å; V483-Y527 HydrophobicContact CG1-CG 3.68Å; V483-Y527 HydrophobicContact CG2-CD1 4.27Å; V483-Y527 HydrophobicContact CG2-CD2 4.15Å; V483-Y527 HydrophobicContact CG2-CE2 4.47Å; V483-Y527 HydrophobicContact CG2-CG 4.06Å; F524-Y527 HydrophobicContact CD2-CD2 4.03Å; F524-Y527 HydrophobicContact CE2-CD2 4.38Å; F524-Y527 HydrophobicContact CG-CD2 4.31Å; F524-Y527 WeakPolarHBondContact O-CD2 3.28Å; F524-Y527 PolarHBondContact O-N 3.34Å; L525-Y527 PolarHBondContact O-N 2.91Å; Y527-D529 VanDerWaalsContact C-N 3.28Å; Y527-D529 PolarHBondContact O-N 3.46Å; Y527-R530 VanDerWaalsContact O-CB 3.28Å; Y527-R530 WeakPolarHBondContact O-CB 3.42Å; Y527-R530 PolarHBondContact O-N 3.17Å
528	Y	96.7	Very high	94.9	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-46.2	-50.6	-177.7	-178.8	-87.3	0	0	0	113.3	F524 L525 R530 F531 M532 I561 V565 K569 F570 D573	F524-Y528 PolarHBondContact O-N 2.9Å; L525-Y528 PolarHBondContact O-N 2.76Å; Y528-R530 PolarHBondContact O-N 3.39Å; Y528-R530 VanDerWaalsContact O-N 3.17Å; Y528-F531 PolarHBondContact O-N 3.47Å; Y528-M532 HydrophobicContact CD1-CB 4.22Å; Y528-M532 HydrophobicContact CD2-CE 4.28Å; Y528-M532 HydrophobicContact CE1-CB 3.83Å; Y528-M532 HydrophobicContact CE1-CG 3.86Å; Y528-M532 HydrophobicContact CE2-CE 3.51Å; Y528-M532 HydrophobicContact CE2-CG 4.44Å; Y528-M532 WeakPolarHBondContact O-CB 3.35Å; Y528-M532 PolarHBondContact O-N 3.35Å; Y528-M532 VanDerWaalsContact O-N 3.12Å; Y528-I561 HydrophobicContact CD2-CG2 3.55Å; Y528-I561 HydrophobicContact CE2-CG2 3.86Å; Y528-V565 HydrophobicContact CD2-CB 4.32Å; Y528-V565 HydrophobicContact CD2-CG1 3.89Å; Y528-V565 HydrophobicContact CD2-CG2 3.69Å; Y528-V565 HydrophobicContact CE2-CG2 3.87Å; Y528-K569 HydrophobicContact CD1-CD 4.35Å; Y528-K569 HydrophobicContact CD1-CG 4.22Å; Y528-K569 HydrophobicContact CD2-CG 4.21Å; Y528-K569 HydrophobicContact CE1-CG 4.47Å; Y528-K569 HydrophobicContact CE2-CG 4.46Å; Y528-K569 HydrophobicContact CG-CG 4.07Å; Y528-F570 AromaticContact CE2-CD2 3.98Å; Y528-F570 HydrophobicContact CE2-CD2 3.98Å; Y528-F570 WeakPolarHBondContact OH-CD2 3.43Å; Y528-D573 WeakPolarHBondContact OH-CB 3.5Å; Y528-D573 PolarHBondContact OH-OD2 2.69Å
529	D	95.8	Very high	94.6	Very high	94 Å²	94	50.7 Å²	50.7	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-70.6	-12.1	-173.9	-61.8	-48.5	0	0	0	113	Y527 P533 K569	Y527-D529 VanDerWaalsContact C-N 3.28Å; Y527-D529 PolarHBondContact O-N 3.46Å; D529-P533 WeakPolarHBondContact O-CD 3.28Å; D529-K569 VanDerWaalsContact CG-NZ 3.26Å; D529-K569 IonicContact OD1-NZ 2.82Å; D529-K569 PolarHBondContact OD1-NZ 3.16Å; D529-K569 IonicContact OD2-NZ 2.76Å; D529-K569 PolarHBondContact OD2-NZ 2.82Å
530	R	95.5	Very high	94.2	Very high	96 Å²	96	54.2 Å²	54.2	36%	0.362	26%	0.261	S	S	.	.	H	α-helix	trans	-79.4	-34.3	176.7	-63.1	175.2	167.4	-147.8	13.4	112.7	S484 E487 Y527 Y528	S484-R530 PolarHBondContact OG-NH1 3.42Å; E487-R530 WeakPolarHBondContact OE2-CD 3.41Å; E487-R530 IonicContact OE2-CZ 3.4Å; E487-R530 IonicContact OE2-NE 3.27Å; E487-R530 IonicContact OE2-NH1 3.11Å; E487-R530 PolarHBondContact OE2-NH1 2.96Å; Y527-R530 VanDerWaalsContact O-CB 3.28Å; Y527-R530 WeakPolarHBondContact O-CB 3.42Å; Y527-R530 PolarHBondContact O-N 3.17Å; Y528-R530 PolarHBondContact O-N 3.39Å; Y528-R530 VanDerWaalsContact O-N 3.17Å
531	F	96.5	Very high	93.7	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-102.6	-42.5	-174.4	-63.9	-82.5	0	0	0	113.2	V483 L486 E487 M490 V513 F524 Y528 P533 V534 L535 I561	V483-F531 HydrophobicContact CG1-CE2 3.54Å; V483-F531 HydrophobicContact CG1-CZ 3.79Å; L486-F531 HydrophobicContact CB-CE1 4.47Å; L486-F531 HydrophobicContact CB-CZ 4.42Å; E487-F531 HydrophobicContact CB-CE1 4.06Å; E487-F531 HydrophobicContact CB-CZ 4.01Å; M490-F531 HydrophobicContact CE-CD1 3.44Å; M490-F531 VanDerWaalsContact CE-CD1 3.44Å; M490-F531 HydrophobicContact CE-CE1 4.06Å; M490-F531 HydrophobicContact CE-CG 4.37Å; M490-F531 HydrophobicContact SD-CD1 3.76Å; M490-F531 HydrophobicContact SD-CE1 4.37Å; V513-F531 HydrophobicContact CG1-CD1 3.89Å; V513-F531 HydrophobicContact CG1-CD2 4.43Å; V513-F531 HydrophobicContact CG1-CE1 4.02Å; V513-F531 HydrophobicContact CG1-CG 4.12Å; V513-F531 HydrophobicContact CG1-CZ 4.33Å; V513-F531 HydrophobicContact CG2-CD1 4.13Å; V513-F531 HydrophobicContact CG2-CE1 3.66Å; V513-F531 HydrophobicContact CG2-CZ 4.23Å; F524-F531 HydrophobicContact CE1-CD2 4.19Å; F524-F531 AromaticContact CZ-CD2 3.88Å; F524-F531 HydrophobicContact CZ-CD2 3.88Å; F524-F531 AromaticContact CZ-CE2 3.78Å; F524-F531 HydrophobicContact CZ-CE2 3.78Å; Y528-F531 PolarHBondContact O-N 3.47Å; F531-P533 VanDerWaalsContact C-CD 3.43Å; F531-P533 VanDerWaalsContact C-N 3.35Å; F531-P533 VanDerWaalsContact O-N 3.17Å; F531-V534 PolarHBondContact O-N 2.94Å; F531-L535 HydrophobicContact CB-CD1 3.95Å; F531-L535 HydrophobicContact CB-CG 4.49Å; F531-L535 WeakPolarHBondContact O-CG 3.33Å; F531-L535 PolarHBondContact O-N 2.97Å; F531-I561 HydrophobicContact CB-CD1 4.32Å
532	M	95.1	Very high	93.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-54.7	-39.9	-169.2	-167.5	56.9	61.4	0	0	114.3	Y528 V534 L535 K536 I558 I561 F570	Y528-M532 HydrophobicContact CD1-CB 4.22Å; Y528-M532 HydrophobicContact CD2-CE 4.28Å; Y528-M532 HydrophobicContact CE1-CB 3.83Å; Y528-M532 HydrophobicContact CE1-CG 3.86Å; Y528-M532 HydrophobicContact CE2-CE 3.51Å; Y528-M532 HydrophobicContact CE2-CG 4.44Å; Y528-M532 WeakPolarHBondContact O-CB 3.35Å; Y528-M532 PolarHBondContact O-N 3.35Å; Y528-M532 VanDerWaalsContact O-N 3.12Å; M532-V534 PolarHBondContact O-N 3.47Å; M532-L535 PolarHBondContact O-N 3.35Å; M532-K536 HydrophobicContact CG-CD 4.34Å; M532-K536 HydrophobicContact CG-CG 4.4Å; M532-K536 WeakPolarHBondContact O-CB 3.2Å; M532-K536 WeakPolarHBondContact O-CG 3.48Å; M532-K536 PolarHBondContact O-N 2.83Å; M532-K536 HydrophobicContact SD-CG 4.2Å; M532-I558 HydrophobicContact CE-CG2 4.15Å; M532-I558 HydrophobicContact SD-CB 4.43Å; M532-I558 HydrophobicContact SD-CG1 4.01Å; M532-I558 HydrophobicContact SD-CG2 3.91Å; M532-I561 HydrophobicContact CE-CB 4.19Å; M532-I561 HydrophobicContact CE-CG2 3.78Å; M532-F570 HydrophobicContact CE-CE2 4.1Å
533	P	92.9	Very high	92.7	Very high	75 Å²	75	49.9 Å²	49.9	49%	0.487	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-43.1	177.2	-23.9	35.3	0	0	0	113.8	D529 F531 Y537	D529-P533 WeakPolarHBondContact O-CD 3.28Å; F531-P533 VanDerWaalsContact C-CD 3.43Å; F531-P533 VanDerWaalsContact C-N 3.35Å; F531-P533 VanDerWaalsContact O-N 3.17Å; P533-Y537 PolarHBondContact O-N 3.17Å; P533-Y537 VanDerWaalsContact O-N 3.1Å
534	V	92.9	Very high	92.1	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-69.6	-43.7	-179.7	177.3	0	0	0	0	110.2	M490 F494 F531 M532 K536 Y537 I538	M490-V534 HydrophobicContact CE-CB 3.91Å; M490-V534 HydrophobicContact CE-CG1 3.99Å; M490-V534 HydrophobicContact CE-CG2 4.2Å; M490-V534 HydrophobicContact SD-CG1 4.31Å; F494-V534 HydrophobicContact CG-CG1 4.39Å; F531-V534 PolarHBondContact O-N 2.94Å; M532-V534 PolarHBondContact O-N 3.47Å; V534-K536 PolarHBondContact O-N 2.99Å; V534-Y537 WeakPolarHBondContact O-CB 3.32Å; V534-Y537 PolarHBondContact O-N 3.17Å; V534-Y537 VanDerWaalsContact O-N 3.14Å; V534-I538 HydrophobicContact CG1-CD1 4.04Å; V534-I538 WeakPolarHBondContact O-CG1 3.47Å; V534-I538 PolarHBondContact O-N 3.02Å
535	L	94.9	Very high	91.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-44.8	178.1	-65.2	171.1	0	0	0	111.6	M490 V510 F531 M532 Y537 I538 M539 T554 C557 I558 I561	M490-L535 HydrophobicContact SD-CD2 4.34Å; V510-L535 HydrophobicContact CG1-CD2 4.27Å; V510-L535 HydrophobicContact CG2-CD2 4.2Å; F531-L535 HydrophobicContact CB-CD1 3.95Å; F531-L535 HydrophobicContact CB-CG 4.49Å; F531-L535 WeakPolarHBondContact O-CG 3.33Å; F531-L535 PolarHBondContact O-N 2.97Å; M532-L535 PolarHBondContact O-N 3.35Å; L535-Y537 VanDerWaalsContact C-N 3.31Å; L535-Y537 PolarHBondContact O-N 2.88Å; L535-I538 PolarHBondContact O-N 2.91Å; L535-M539 WeakPolarHBondContact O-CB 3.43Å; L535-M539 PolarHBondContact O-N 3.44Å; L535-T554 HydrophobicContact CB-CG2 4.05Å; L535-T554 HydrophobicContact CD2-CG2 3.97Å; L535-T554 WeakPolarHBondContact O-CG2 3.36Å; L535-C557 HydrophobicContact CD2-CB 4.4Å; L535-I558 HydrophobicContact CB-CD1 3.92Å; L535-I558 HydrophobicContact CB-CG1 3.65Å; L535-I558 HydrophobicContact CD1-CG1 4.17Å; L535-I558 HydrophobicContact CG-CG1 4.49Å; L535-I561 HydrophobicContact CD1-CD1 3.6Å
536	K	92.3	Very high	90.9	Very high	49 Å²	49	55.4 Å²	55.4	21%	0.213	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-41.9	174	-74.2	-173	-58.2	-177.2	0	111.9	M532 V534 I538 M539 E540 D573	M532-K536 HydrophobicContact CG-CD 4.34Å; M532-K536 HydrophobicContact CG-CG 4.4Å; M532-K536 WeakPolarHBondContact O-CB 3.2Å; M532-K536 WeakPolarHBondContact O-CG 3.48Å; M532-K536 PolarHBondContact O-N 2.83Å; M532-K536 HydrophobicContact SD-CG 4.2Å; V534-K536 PolarHBondContact O-N 2.99Å; K536-I538 PolarHBondContact O-N 3.4Å; K536-M539 PolarHBondContact O-N 3.21Å; K536-E540 WeakPolarHBondContact O-CB 3.5Å; K536-E540 VanDerWaalsContact O-CG 3.31Å; K536-E540 WeakPolarHBondContact O-CG 3.36Å; K536-E540 PolarHBondContact O-N 2.85Å; K536-D573 IonicContact NZ-OD1 3.62Å; K536-D573 PolarHBondContact NZ-OD1 3.16Å
537	Y	91.1	Very high	90.5	Very high	118 Å²	118	52.5 Å²	52.5	46%	0.463	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-45.3	176.9	-173.5	-80.9	0	0	0	111.9	F494 P533 V534 L535 M539 E540 N541	F494-Y537 HydrophobicContact CE1-CD1 4.44Å; F494-Y537 AromaticContact CE2-CD1 3.89Å; F494-Y537 HydrophobicContact CE2-CD1 3.89Å; F494-Y537 HydrophobicContact CE2-CE1 4.19Å; F494-Y537 AromaticContact CZ-CD1 3.41Å; F494-Y537 HydrophobicContact CZ-CD1 3.41Å; F494-Y537 VanDerWaalsContact CZ-CD1 3.41Å; F494-Y537 AromaticContact CZ-CE1 3.52Å; F494-Y537 HydrophobicContact CZ-CE1 3.52Å; F494-Y537 HydrophobicContact CZ-CG 4.45Å; P533-Y537 PolarHBondContact O-N 3.17Å; P533-Y537 VanDerWaalsContact O-N 3.1Å; V534-Y537 WeakPolarHBondContact O-CB 3.32Å; V534-Y537 PolarHBondContact O-N 3.17Å; V534-Y537 VanDerWaalsContact O-N 3.14Å; L535-Y537 VanDerWaalsContact C-N 3.31Å; L535-Y537 PolarHBondContact O-N 2.88Å; Y537-M539 VanDerWaalsContact C-N 3.34Å; Y537-M539 PolarHBondContact O-N 3.04Å; Y537-E540 PolarHBondContact O-N 3.05Å; Y537-N541 HydrophobicContact CD1-CB 4.38Å; Y537-N541 HydrophobicContact CE1-CB 3.99Å; Y537-N541 WeakPolarHBondContact O-CB 3.27Å; Y537-N541 PolarHBondContact O-N 2.94Å; Y537-N541 PolarHBondContact O-ND2 2.93Å
538	I	91.2	Very high	90.1	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-47.2	176.2	-65.5	166.4	0	0	0	109.6	F494 L506 V534 L535 K536 E540 N541 A542 L550 T554	F494-I538 HydrophobicContact CD2-CD1 3.88Å; F494-I538 HydrophobicContact CD2-CG1 3.66Å; F494-I538 HydrophobicContact CE2-CD1 4.36Å; F494-I538 HydrophobicContact CE2-CG1 3.62Å; L506-I538 HydrophobicContact CD1-CD1 4.49Å; L506-I538 HydrophobicContact CD2-CD1 4.46Å; V534-I538 HydrophobicContact CG1-CD1 4.04Å; V534-I538 WeakPolarHBondContact O-CG1 3.47Å; V534-I538 PolarHBondContact O-N 3.02Å; L535-I538 PolarHBondContact O-N 2.91Å; K536-I538 PolarHBondContact O-N 3.4Å; I538-E540 VanDerWaalsContact C-N 3.3Å; I538-E540 PolarHBondContact O-N 3.24Å; I538-N541 PolarHBondContact O-N 2.98Å; I538-A542 HydrophobicContact CG2-CB 4.05Å; I538-A542 WeakPolarHBondContact O-CB 3.33Å; I538-A542 PolarHBondContact O-N 3.24Å; I538-L550 HydrophobicContact CG2-CD1 4.47Å; I538-L550 HydrophobicContact CG2-CD2 4.1Å; I538-L550 HydrophobicContact CG2-CG 4.01Å; I538-T554 HydrophobicContact CB-CG2 4.03Å; I538-T554 HydrophobicContact CG2-CG2 4.03Å; I538-T554 WeakPolarHBondContact CG2-OG1 3.37Å
539	M	88.4	Confident	89.7	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-34.5	178.9	-171.8	177.8	70.8	0	0	113.4	L535 K536 Y537 R551 T554 I555 I558 V577 L580	L535-M539 WeakPolarHBondContact O-CB 3.43Å; L535-M539 PolarHBondContact O-N 3.44Å; K536-M539 PolarHBondContact O-N 3.21Å; Y537-M539 VanDerWaalsContact C-N 3.34Å; Y537-M539 PolarHBondContact O-N 3.04Å; M539-R551 PolarHBondContact O-NE 3.19Å; M539-R551 PolarHBondContact O-NH2 2.93Å; M539-R551 VanDerWaalsContact O-NH2 3.11Å; M539-T554 HydrophobicContact CB-CG2 4.28Å; M539-I555 HydrophobicContact CG-CG1 3.89Å; M539-I555 HydrophobicContact SD-CG1 3.7Å; M539-I558 HydrophobicContact CB-CD1 4.21Å; M539-I558 HydrophobicContact CE-CD1 4.09Å; M539-I558 HydrophobicContact SD-CD1 3.72Å; M539-V577 HydrophobicContact CE-CB 4.32Å; M539-V577 HydrophobicContact CE-CG1 4.28Å; M539-V577 HydrophobicContact CE-CG2 4.09Å; M539-L580 HydrophobicContact CE-CB 3.71Å; M539-L580 HydrophobicContact CE-CD1 3.4Å; M539-L580 HydrophobicContact CE-CG 4.17Å
540	E	87.2	Confident	89.5	Confident	94 Å²	94	51.9 Å²	51.9	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-75.1	-35.8	177.4	-75.5	176.6	-176.9	0	0	113	K536 Y537 I538 L580	K536-E540 WeakPolarHBondContact O-CB 3.5Å; K536-E540 VanDerWaalsContact O-CG 3.31Å; K536-E540 WeakPolarHBondContact O-CG 3.36Å; K536-E540 PolarHBondContact O-N 2.85Å; Y537-E540 PolarHBondContact O-N 3.05Å; I538-E540 VanDerWaalsContact C-N 3.3Å; I538-E540 PolarHBondContact O-N 3.24Å; E540-L580 HydrophobicContact CB-CD2 4.4Å; E540-L580 HydrophobicContact CG-CD1 3.39Å; E540-L580 HydrophobicContact CG-CD2 3.61Å; E540-L580 HydrophobicContact CG-CG 4.14Å
541	N	86.9	Confident	89.3	Confident	83 Å²	83	48.2 Å²	48.2	44%	0.444	24%	0.241	S	C	.	.	H	α-helix	trans	-111.6	-18.6	-164.9	-64.8	-85.5	0	0	0	114.7	Y537 I538 T543	Y537-N541 HydrophobicContact CD1-CB 4.38Å; Y537-N541 HydrophobicContact CE1-CB 3.99Å; Y537-N541 WeakPolarHBondContact O-CB 3.27Å; Y537-N541 PolarHBondContact O-N 2.94Å; Y537-N541 PolarHBondContact O-ND2 2.93Å; I538-N541 PolarHBondContact O-N 2.98Å; N541-T543 PolarHBondContact O-N 3.15Å
542	A	85.5	Confident	89.1	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.033	24%	0.241	C	C	.	.			trans	-80.4	49.4	-178.6	0	0	0	0	0	113	I538 L547 R551	I538-A542 HydrophobicContact CG2-CB 4.05Å; I538-A542 WeakPolarHBondContact O-CB 3.33Å; I538-A542 PolarHBondContact O-N 3.24Å; A542-L547 HydrophobicContact CB-CB 4.05Å; A542-L547 HydrophobicContact CB-CD1 4.16Å; A542-R551 HydrophobicContact CB-CB 4.39Å; A542-R551 WeakPolarHBondContact O-CD 3.34Å
543	T	81.2	Confident	89	Confident	94 Å²	94	50 Å²	50	58%	0.577	25%	0.248	S	C	*	.			trans	-86.6	-8.4	-169.8	57.9	0	0	0	0	115	N541	N541-T543 PolarHBondContact O-N 3.15Å
544	H	84.3	Confident	89.1	Confident	118 Å²	118	46.4 Å²	46.4	55%	0.546	23%	0.225	S	C	.	.	S	Bend	trans	-67.3	148.7	178.4	-162.4	-95	0	0	0	111.8	D546 L547 R548	H544-D546 VanDerWaalsContact C-N 3.27Å; H544-D546 IonicContact CE1-OD2 3.15Å; H544-D546 PolarHBondContact CE1-OD2 3.36Å; H544-D546 PolarHBondContact ND1-N 2.83Å; H544-D546 IonicContact ND1-OD2 2.86Å; H544-D546 PolarHBondContact ND1-OD2 3.11Å; H544-D546 VanDerWaalsContact ND1-OD2 3.15Å; H544-D546 PolarHBondContact O-N 3.42Å; H544-L547 HydrophobicContact CB-CD1 4.46Å; H544-L547 PolarHBondContact O-N 3.26Å; H544-R548 PolarHBondContact O-N 3.08Å
545	K	82.9	Confident	89.1	Confident	90 Å²	90	45.3 Å²	45.3	39%	0.391	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-51.7	-45	-178.6	-74	-160.6	-179.6	-168.1	0	112.1	L547 R548 E591 D594	K545-L547 PolarHBondContact O-N 3.11Å; K545-L547 VanDerWaalsContact O-N 3.12Å; K545-R548 WeakPolarHBondContact O-CB 3.45Å; K545-R548 VanDerWaalsContact O-CG 3.22Å; K545-R548 WeakPolarHBondContact O-CG 3.43Å; K545-R548 PolarHBondContact O-N 3.4Å; K545-E591 WeakPolarHBondContact CE-OE2 3.43Å; K545-E591 IonicContact NZ-OE2 2.75Å; K545-E591 PolarHBondContact NZ-OE2 3.37Å; K545-D594 IonicContact NZ-OD2 2.78Å
546	D	84.8	Confident	89	Confident	102 Å²	102	47 Å²	47	55%	0.545	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-67.2	-14	-178.9	-46	-29.2	0	0	0	114.4	K503 H544	K503-D546 PolarHBondContact NZ-O 2.94Å; H544-D546 VanDerWaalsContact C-N 3.27Å; H544-D546 IonicContact CE1-OD2 3.15Å; H544-D546 PolarHBondContact CE1-OD2 3.36Å; H544-D546 PolarHBondContact ND1-N 2.83Å; H544-D546 IonicContact ND1-OD2 2.86Å; H544-D546 PolarHBondContact ND1-OD2 3.11Å; H544-D546 VanDerWaalsContact ND1-OD2 3.15Å; H544-D546 PolarHBondContact O-N 3.42Å
547	L	88.5	Confident	89.2	Confident	34 Å²	34	44.7 Å²	44.7	18%	0.178	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-106	2.1	-179.7	-61	178.1	0	0	0	112.9	M497 K503 A542 H544 K545 L549 L550 R551	M497-L547 HydrophobicContact SD-CD2 4.33Å; K503-L547 HydrophobicContact CD-CD2 3.87Å; A542-L547 HydrophobicContact CB-CB 4.05Å; A542-L547 HydrophobicContact CB-CD1 4.16Å; H544-L547 HydrophobicContact CB-CD1 4.46Å; H544-L547 PolarHBondContact O-N 3.26Å; K545-L547 PolarHBondContact O-N 3.11Å; K545-L547 VanDerWaalsContact O-N 3.12Å; L547-L549 VanDerWaalsContact C-N 3.32Å; L547-L549 PolarHBondContact O-N 2.95Å; L547-L550 HydrophobicContact CD2-CD2 4.31Å; L547-L550 WeakPolarHBondContact O-CB 3.46Å; L547-L550 PolarHBondContact O-N 2.83Å; L547-L550 VanDerWaalsContact O-N 3.13Å; L547-R551 PolarHBondContact O-N 3Å
548	R	87.1	Confident	89.5	Confident	30 Å²	30	39.1 Å²	39.1	11%	0.113	19%	0.194	C	C	.	.	H	α-helix	trans	-55.8	-44.7	-178.5	-72.9	-176	171.9	176.9	-6.1	112.5	H544 K545 L550 R551 G552 P598 Q599	H544-R548 PolarHBondContact O-N 3.08Å; K545-R548 WeakPolarHBondContact O-CB 3.45Å; K545-R548 VanDerWaalsContact O-CG 3.22Å; K545-R548 WeakPolarHBondContact O-CG 3.43Å; K545-R548 PolarHBondContact O-N 3.4Å; R548-L550 PolarHBondContact O-N 3.4Å; R548-R551 WeakPolarHBondContact O-CB 3.33Å; R548-R551 PolarHBondContact O-N 3.3Å; R548-R551 VanDerWaalsContact O-N 3.16Å; R548-G552 PolarHBondContact O-N 2.93Å; R548-P598 HydrophobicContact CB-CG 4.24Å; R548-Q599 HydrophobicContact CB-CG 3.97Å; R548-Q599 VanDerWaalsContact CB-NE2 3.34Å; R548-Q599 WeakPolarHBondContact O-CG 3.46Å
549	L	88.6	Confident	89.6	Confident	68 Å²	68	39.1 Å²	39.1	36%	0.356	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-44	176.8	-176.5	62.4	0	0	0	112.5	M507 L547 R551 G552 K553 Y602	M507-L549 HydrophobicContact SD-CB 4.35Å; M507-L549 HydrophobicContact SD-CD2 4.12Å; M507-L549 HydrophobicContact SD-CG 4.19Å; L547-L549 VanDerWaalsContact C-N 3.32Å; L547-L549 PolarHBondContact O-N 2.95Å; L549-R551 VanDerWaalsContact C-N 3.27Å; L549-R551 PolarHBondContact O-N 3.26Å; L549-G552 PolarHBondContact O-N 3.11Å; L549-K553 PolarHBondContact O-N 3.31Å; L549-Y602 HydrophobicContact CD1-CE2 3.94Å
550	L	92.7	Very high	90	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-42.8	174.3	171.3	63.9	0	0	0	110.9	M497 L506 M507 I538 L547 R548 K553 T554	M497-L550 HydrophobicContact SD-CD2 3.41Å; M497-L550 WeakPolarHBondContact SD-CD2 3.48Å; L506-L550 HydrophobicContact CD2-CD1 4.19Å; L506-L550 HydrophobicContact CD2-CD2 3.93Å; L506-L550 HydrophobicContact CG-CD1 4.02Å; M507-L550 HydrophobicContact CB-CD1 4.39Å; M507-L550 HydrophobicContact CG-CB 3.69Å; M507-L550 HydrophobicContact CG-CD1 3.65Å; M507-L550 HydrophobicContact CG-CG 4.22Å; M507-L550 HydrophobicContact SD-CB 4.07Å; I538-L550 HydrophobicContact CG2-CD1 4.47Å; I538-L550 HydrophobicContact CG2-CD2 4.1Å; I538-L550 HydrophobicContact CG2-CG 4.01Å; L547-L550 HydrophobicContact CD2-CD2 4.31Å; L547-L550 WeakPolarHBondContact O-CB 3.46Å; L547-L550 PolarHBondContact O-N 2.83Å; L547-L550 VanDerWaalsContact O-N 3.13Å; R548-L550 PolarHBondContact O-N 3.4Å; L550-K553 PolarHBondContact O-N 2.96Å; L550-T554 WeakPolarHBondContact O-CB 3.48Å; L550-T554 PolarHBondContact O-N 3.01Å; L550-T554 PolarHBondContact O-OG1 3.03Å
551	R	91.4	Very high	90.4	Very high	20 Å²	20	35.6 Å²	35.6	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-43.5	178.5	-164.8	171	-177.4	-132.8	-0.3	111.5	M539 A542 L547 R548 L549 T554 I555 T584	M539-R551 PolarHBondContact O-NE 3.19Å; M539-R551 PolarHBondContact O-NH2 2.93Å; M539-R551 VanDerWaalsContact O-NH2 3.11Å; A542-R551 HydrophobicContact CB-CB 4.39Å; A542-R551 WeakPolarHBondContact O-CD 3.34Å; L547-R551 PolarHBondContact O-N 3Å; R548-R551 WeakPolarHBondContact O-CB 3.33Å; R548-R551 PolarHBondContact O-N 3.3Å; R548-R551 VanDerWaalsContact O-N 3.16Å; L549-R551 VanDerWaalsContact C-N 3.27Å; L549-R551 PolarHBondContact O-N 3.26Å; R551-T554 WeakPolarHBondContact O-CB 3.26Å; R551-T554 PolarHBondContact O-N 2.92Å; R551-I555 HydrophobicContact CG-CD1 4.34Å; R551-I555 VanDerWaalsContact O-CG1 3.31Å; R551-I555 WeakPolarHBondContact O-CG1 3.42Å; R551-I555 PolarHBondContact O-N 3.12Å; R551-T584 VanDerWaalsContact CZ-OG1 3.3Å; R551-T584 PolarHBondContact NH1-OG1 3.05Å; R551-T584 VanDerWaalsContact NH1-OG1 3.1Å; R551-T584 PolarHBondContact NH2-OG1 3.41Å
552	G	90.5	Very high	90.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57	-53.5	172.9	0	0	0	0	0	112.5	R548 L549 T554 I555 E556 Y602	R548-G552 PolarHBondContact O-N 2.93Å; L549-G552 PolarHBondContact O-N 3.11Å; G552-T554 PolarHBondContact O-N 2.9Å; G552-I555 WeakPolarHBondContact O-CB 3.25Å; G552-I555 PolarHBondContact O-N 3.24Å; G552-I555 VanDerWaalsContact O-N 3.09Å; G552-E556 PolarHBondContact O-N 3.02Å; G552-Y602 VanDerWaalsContact C-CG 3.45Å; G552-Y602 WeakPolarHBondContact O-CB 3.34Å; G552-Y602 WeakPolarHBondContact O-CD1 3.14Å
553	K	93.5	Very high	91.2	Very high	39 Å²	39	33.8 Å²	33.8	17%	0.17	17%	0.168	C	C	.	.	H	α-helix	trans	-59.1	-35	176	-72.4	-177.5	173.1	-64.2	0	113	M507 V510 T511 L549 L550 E556 C557 Y602	M507-K553 HydrophobicContact CB-CD 4.18Å; V510-K553 HydrophobicContact CG1-CB 4.37Å; V510-K553 WeakPolarHBondContact CG1-O 3.05Å; T511-K553 PolarHBondContact OG1-NZ 3.36Å; L549-K553 PolarHBondContact O-N 3.31Å; L550-K553 PolarHBondContact O-N 2.96Å; K553-E556 PolarHBondContact O-N 3.01Å; K553-C557 WeakPolarHBondContact O-CB 3.34Å; K553-C557 PolarHBondContact O-N 3.39Å; K553-Y602 HydrophobicContact CG-CE1 3.92Å
554	T	94.9	Very high	91.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-42.7	175.5	-57.9	0	0	0	0	111.8	L535 I538 M539 L550 R551 G552 E556 C557 I558	L535-T554 HydrophobicContact CB-CG2 4.05Å; L535-T554 HydrophobicContact CD2-CG2 3.97Å; L535-T554 WeakPolarHBondContact O-CG2 3.36Å; I538-T554 HydrophobicContact CB-CG2 4.03Å; I538-T554 HydrophobicContact CG2-CG2 4.03Å; I538-T554 WeakPolarHBondContact CG2-OG1 3.37Å; M539-T554 HydrophobicContact CB-CG2 4.28Å; L550-T554 WeakPolarHBondContact O-CB 3.48Å; L550-T554 PolarHBondContact O-N 3.01Å; L550-T554 PolarHBondContact O-OG1 3.03Å; R551-T554 WeakPolarHBondContact O-CB 3.26Å; R551-T554 PolarHBondContact O-N 2.92Å; G552-T554 PolarHBondContact O-N 2.9Å; T554-E556 VanDerWaalsContact C-N 3.31Å; T554-E556 PolarHBondContact O-N 3.22Å; T554-C557 PolarHBondContact O-N 2.81Å; T554-I558 HydrophobicContact CG2-CD1 4.15Å; T554-I558 WeakPolarHBondContact O-CG1 3.23Å; T554-I558 PolarHBondContact O-N 3.3Å
555	I	93.2	Very high	92.4	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-46	175.4	-74.2	161.9	0	0	0	110.2	M539 R551 G552 I558 S559 L581 M603 A606	M539-I555 HydrophobicContact CG-CG1 3.89Å; M539-I555 HydrophobicContact SD-CG1 3.7Å; R551-I555 HydrophobicContact CG-CD1 4.34Å; R551-I555 VanDerWaalsContact O-CG1 3.31Å; R551-I555 WeakPolarHBondContact O-CG1 3.42Å; R551-I555 PolarHBondContact O-N 3.12Å; G552-I555 WeakPolarHBondContact O-CB 3.25Å; G552-I555 PolarHBondContact O-N 3.24Å; G552-I555 VanDerWaalsContact O-N 3.09Å; I555-I558 PolarHBondContact O-N 3.19Å; I555-S559 PolarHBondContact O-N 2.77Å; I555-S559 PolarHBondContact O-OG 3.47Å; I555-L581 HydrophobicContact CB-CD2 4.36Å; I555-L581 HydrophobicContact CD1-CD2 3.69Å; I555-L581 HydrophobicContact CG1-CD2 3.81Å; I555-L581 HydrophobicContact CG2-CD2 3.61Å; I555-M603 HydrophobicContact CD1-CG 4.06Å; I555-A606 HydrophobicContact CG2-CB 3.4Å; I555-A606 VanDerWaalsContact CG2-CB 3.4Å
556	E	93.3	Very high	92.9	Very high	36 Å²	36	21.3 Å²	21.3	17%	0.168	11%	0.113	C	C	.	.	H	α-helix	trans	-58.6	-50.4	174.5	163	159.5	-97.3	0	0	112	G552 K553 T554 I558 S559 L560 Y602 R609	G552-E556 PolarHBondContact O-N 3.02Å; K553-E556 PolarHBondContact O-N 3.01Å; T554-E556 VanDerWaalsContact C-N 3.31Å; T554-E556 PolarHBondContact O-N 3.22Å; E556-I558 VanDerWaalsContact C-N 3.33Å; E556-I558 PolarHBondContact O-N 3.36Å; E556-S559 WeakPolarHBondContact CA-OG 3.49Å; E556-S559 PolarHBondContact O-N 2.87Å; E556-S559 PolarHBondContact O-OG 3.37Å; E556-L560 HydrophobicContact CG-CD1 3.75Å; E556-L560 HydrophobicContact CG-CG 4.48Å; E556-L560 PolarHBondContact O-N 2.96Å; E556-Y602 HydrophobicContact CB-CD1 3.85Å; E556-R609 IonicContact OE1-CZ 2.85Å; E556-R609 IonicContact OE1-NH1 3.45Å; E556-R609 PolarHBondContact OE1-NH1 3.27Å; E556-R609 IonicContact OE1-NH2 3.37Å; E556-R609 PolarHBondContact OE1-NH2 3.14Å
557	C	96.6	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-45.7	178.3	-173.3	0	0	0	0	112.3	V510 A514 L535 K553 T554 S559 L560 I561	V510-C557 HydrophobicContact CG1-CB 3.59Å; V510-C557 PolarHBondContact O-SG 2.92Å; V510-C557 VanDerWaalsContact O-SG 3.33Å; A514-C557 HydrophobicContact CB-CB 3.93Å; L535-C557 HydrophobicContact CD2-CB 4.4Å; K553-C557 WeakPolarHBondContact O-CB 3.34Å; K553-C557 PolarHBondContact O-N 3.39Å; T554-C557 PolarHBondContact O-N 2.81Å; C557-S559 VanDerWaalsContact C-N 3.32Å; C557-S559 PolarHBondContact O-N 2.93Å; C557-L560 PolarHBondContact O-N 2.64Å; C557-I561 WeakPolarHBondContact O-CB 3.41Å; C557-I561 VanDerWaalsContact O-CG1 3.28Å; C557-I561 WeakPolarHBondContact O-CG1 3.26Å; C557-I561 PolarHBondContact O-N 2.96Å
558	I	96.3	Very high	93.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-58.6	-45.9	175.9	-70.6	169.3	0	0	0	110.8	M532 L535 M539 T554 I555 E556 G562 F570 V577	M532-I558 HydrophobicContact CE-CG2 4.15Å; M532-I558 HydrophobicContact SD-CB 4.43Å; M532-I558 HydrophobicContact SD-CG1 4.01Å; M532-I558 HydrophobicContact SD-CG2 3.91Å; L535-I558 HydrophobicContact CB-CD1 3.92Å; L535-I558 HydrophobicContact CB-CG1 3.65Å; L535-I558 HydrophobicContact CD1-CG1 4.17Å; L535-I558 HydrophobicContact CG-CG1 4.49Å; M539-I558 HydrophobicContact CB-CD1 4.21Å; M539-I558 HydrophobicContact CE-CD1 4.09Å; M539-I558 HydrophobicContact SD-CD1 3.72Å; T554-I558 HydrophobicContact CG2-CD1 4.15Å; T554-I558 WeakPolarHBondContact O-CG1 3.23Å; T554-I558 PolarHBondContact O-N 3.3Å; I555-I558 PolarHBondContact O-N 3.19Å; E556-I558 VanDerWaalsContact C-N 3.33Å; E556-I558 PolarHBondContact O-N 3.36Å; I558-G562 PolarHBondContact O-N 3.44Å; I558-F570 HydrophobicContact CG2-CE2 3.98Å; I558-F570 HydrophobicContact CG2-CZ 3.98Å; I558-V577 HydrophobicContact CG2-CG1 4.11Å; I558-V577 HydrophobicContact CG2-CG2 3.83Å
559	S	94.6	Very high	93.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-67.4	-39.6	-177.5	71.2	0	0	0	0	113	I555 E556 C557 G562 L563 R609	I555-S559 PolarHBondContact O-N 2.77Å; I555-S559 PolarHBondContact O-OG 3.47Å; E556-S559 WeakPolarHBondContact CA-OG 3.49Å; E556-S559 PolarHBondContact O-N 2.87Å; E556-S559 PolarHBondContact O-OG 3.37Å; C557-S559 VanDerWaalsContact C-N 3.32Å; C557-S559 PolarHBondContact O-N 2.93Å; S559-G562 PolarHBondContact O-N 3.37Å; S559-L563 PolarHBondContact O-N 3.49Å; S559-R609 WeakPolarHBondContact OG-CD 3.1Å; S559-R609 PolarHBondContact OG-NH1 3.47Å; S559-R609 VanDerWaalsContact OG-NH1 3.16Å
560	L	95.7	Very high	94	Very high	21 Å²	21	25.2 Å²	25.2	11%	0.11	12%	0.124	C	C	.	.	H	α-helix	trans	-69.7	-44	176.6	-77.1	168.5	0	0	0	111.7	A514 D518 E556 C557 G562 L563 A564	A514-L560 HydrophobicContact CB-CB 4.46Å; A514-L560 HydrophobicContact CB-CD1 3.79Å; D518-L560 HydrophobicContact CB-CD2 4.38Å; E556-L560 HydrophobicContact CG-CD1 3.75Å; E556-L560 HydrophobicContact CG-CG 4.48Å; E556-L560 PolarHBondContact O-N 2.96Å; C557-L560 PolarHBondContact O-N 2.64Å; L560-G562 VanDerWaalsContact C-N 3.27Å; L560-G562 PolarHBondContact O-N 3.39Å; L560-L563 PolarHBondContact O-N 3.13Å; L560-A564 WeakPolarHBondContact O-CB 3.43Å; L560-A564 PolarHBondContact O-N 2.98Å
561	I	97.1	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.1	-44.6	172.1	-70.2	170.1	0	0	0	110.2	V513 A517 F524 Y528 F531 M532 L535 C557 L563 A564 V565	V513-I561 HydrophobicContact CG1-CD1 4.09Å; A517-I561 HydrophobicContact CB-CG1 3.64Å; F524-I561 HydrophobicContact CD1-CG2 4.29Å; F524-I561 HydrophobicContact CE1-CD1 4.23Å; F524-I561 HydrophobicContact CE1-CG1 4.01Å; F524-I561 HydrophobicContact CE1-CG2 4.23Å; Y528-I561 HydrophobicContact CD2-CG2 3.55Å; Y528-I561 HydrophobicContact CE2-CG2 3.86Å; F531-I561 HydrophobicContact CB-CD1 4.32Å; M532-I561 HydrophobicContact CE-CB 4.19Å; M532-I561 HydrophobicContact CE-CG2 3.78Å; L535-I561 HydrophobicContact CD1-CD1 3.6Å; C557-I561 WeakPolarHBondContact O-CB 3.41Å; C557-I561 VanDerWaalsContact O-CG1 3.28Å; C557-I561 WeakPolarHBondContact O-CG1 3.26Å; C557-I561 PolarHBondContact O-N 2.96Å; I561-L563 VanDerWaalsContact C-N 3.34Å; I561-L563 PolarHBondContact O-N 2.91Å; I561-A564 PolarHBondContact O-N 2.71Å; I561-V565 HydrophobicContact CG2-CG1 4.42Å; I561-V565 WeakPolarHBondContact O-CG1 3.34Å; I561-V565 WeakPolarHBondContact O-CG2 3.48Å; I561-V565 PolarHBondContact O-N 2.84Å
562	G	95.3	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-43.6	177.6	0	0	0	0	0	112.8	I558 S559 L560 G566 F570 L613	I558-G562 PolarHBondContact O-N 3.44Å; S559-G562 PolarHBondContact O-N 3.37Å; L560-G562 VanDerWaalsContact C-N 3.27Å; L560-G562 PolarHBondContact O-N 3.39Å; G562-G566 PolarHBondContact O-N 3.02Å; G562-F570 VanDerWaalsContact CA-CD2 3.43Å; G562-L613 WeakPolarHBondContact O-CD2 3.37Å
563	L	93.5	Very high	94	Very high	49 Å²	49	34.3 Å²	34.3	26%	0.257	17%	0.17	S	C	.	.	H	α-helix	trans	-64.1	-46.3	176.3	-170.4	65.5	0	0	0	111.6	S559 L560 I561 G566 R609 K612 L613	S559-L563 PolarHBondContact O-N 3.49Å; L560-L563 PolarHBondContact O-N 3.13Å; I561-L563 VanDerWaalsContact C-N 3.34Å; I561-L563 PolarHBondContact O-N 2.91Å; L563-G566 PolarHBondContact O-N 3.11Å; L563-R609 HydrophobicContact CD2-CG 4.49Å; L563-K612 HydrophobicContact CD1-CD 4.41Å; L563-K612 HydrophobicContact CD1-CG 4.48Å; L563-L613 HydrophobicContact CD1-CB 4.33Å; L563-L613 HydrophobicContact CD1-CD1 4.47Å
564	A	94.2	Very high	93.9	Very high	9 Å²	9	32.7 Å²	32.7	7%	0.074	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-45.5	-179.2	0	0	0	0	0	113.2	A517 E521 K522 L560 I561 G566	A517-A564 VanDerWaalsContact O-CB 3.22Å; A517-A564 WeakPolarHBondContact O-CB 3.13Å; E521-A564 CarbonylContact C-O 3.41Å; K522-A564 WeakPolarHBondContact CA-O 3.3Å; K522-A564 PolarHBondContact N-O 3.02Å; L560-A564 WeakPolarHBondContact O-CB 3.43Å; L560-A564 PolarHBondContact O-N 2.98Å; I561-A564 PolarHBondContact O-N 2.71Å; A564-G566 VanDerWaalsContact C-N 3.35Å
565	V	95.3	Very high	93.5	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-80.8	-16	-177.4	-57.1	0	0	0	0	114	F524 L525 Y528 I561 K569 F570	F524-V565 HydrophobicContact CD1-CG1 4.42Å; L525-V565 HydrophobicContact CD1-CB 3.93Å; L525-V565 HydrophobicContact CD1-CG1 4.45Å; Y528-V565 HydrophobicContact CD2-CB 4.32Å; Y528-V565 HydrophobicContact CD2-CG1 3.89Å; Y528-V565 HydrophobicContact CD2-CG2 3.69Å; Y528-V565 HydrophobicContact CE2-CG2 3.87Å; I561-V565 HydrophobicContact CG2-CG1 4.42Å; I561-V565 WeakPolarHBondContact O-CG1 3.34Å; I561-V565 WeakPolarHBondContact O-CG2 3.48Å; I561-V565 PolarHBondContact O-N 2.84Å; V565-K569 HydrophobicContact CB-CB 4.31Å; V565-K569 HydrophobicContact CB-CG 4.38Å; V565-K569 HydrophobicContact CG2-CB 3.9Å; V565-K569 HydrophobicContact CG2-CG 3.98Å; V565-F570 HydrophobicContact CG2-CB 4.46Å
566	G	93	Very high	93.1	Very high	20 Å²	20	36.4 Å²	36.4	21%	0.206	19%	0.192	C	C	.	.			trans	84.2	165	178.8	0	0	0	0	0	115.1	G562 L563 A564 E568 K569 F570	G562-G566 PolarHBondContact O-N 3.02Å; L563-G566 PolarHBondContact O-N 3.11Å; A564-G566 VanDerWaalsContact C-N 3.35Å; G566-E568 VanDerWaalsContact C-N 3.33Å; G566-E568 PolarHBondContact O-N 3.38Å; G566-K569 PolarHBondContact O-N 3.29Å; G566-F570 PolarHBondContact O-N 3.27Å
567	K	92.5	Very high	92.9	Very high	76 Å²	76	34.9 Å²	34.9	33%	0.33	19%	0.185	S	C	.	.	H	α-helix	trans	-54.5	-44.4	-171.1	179.3	175.7	178.8	171.1	0	113.1	K569 F570 I571 L613 L614 D617	K567-K569 VanDerWaalsContact C-N 3.29Å; K567-K569 PolarHBondContact O-N 2.9Å; K567-F570 PolarHBondContact O-N 3.35Å; K567-I571 WeakPolarHBondContact O-CB 3.26Å; K567-I571 PolarHBondContact O-N 3.03Å; K567-L613 HydrophobicContact CB-CD1 4.16Å; K567-L613 HydrophobicContact CB-CG 4.3Å; K567-L613 VanDerWaalsContact N-CD1 3.28Å; K567-L614 HydrophobicContact CD-CD2 4.49Å; K567-L614 HydrophobicContact CG-CD2 4.21Å; K567-L614 PolarHBondContact NZ-O 3.31Å; K567-D617 WeakPolarHBondContact CE-OD2 3.28Å; K567-D617 IonicContact NZ-OD2 2.8Å; K567-D617 PolarHBondContact NZ-OD2 2.91Å
568	E	92.1	Very high	92.5	Very high	186 Å²	186	34.9 Å²	34.9	87%	0.869	19%	0.185	S	C	*	.	H	α-helix	trans	-58.3	-39.4	-174.4	-64.4	176.5	173.9	0	0	112.9	G566	G566-E568 VanDerWaalsContact C-N 3.33Å; G566-E568 PolarHBondContact O-N 3.38Å
569	K	94.3	Very high	91.9	Very high	52 Å²	52	39.4 Å²	39.4	23%	0.226	21%	0.21	C	C	.	.	H	α-helix	trans	-82.5	-40.5	178.8	-179.4	65	179.9	179.4	0	111.6	L525 Y528 D529 V565 G566 K567	L525-K569 HydrophobicContact CD1-CB 3.77Å; L525-K569 HydrophobicContact CD1-CD 4.41Å; L525-K569 HydrophobicContact CD1-CG 3.85Å; Y528-K569 HydrophobicContact CD1-CD 4.35Å; Y528-K569 HydrophobicContact CD1-CG 4.22Å; Y528-K569 HydrophobicContact CD2-CG 4.21Å; Y528-K569 HydrophobicContact CE1-CG 4.47Å; Y528-K569 HydrophobicContact CE2-CG 4.46Å; Y528-K569 HydrophobicContact CG-CG 4.07Å; D529-K569 VanDerWaalsContact CG-NZ 3.26Å; D529-K569 IonicContact OD1-NZ 2.82Å; D529-K569 PolarHBondContact OD1-NZ 3.16Å; D529-K569 IonicContact OD2-NZ 2.76Å; D529-K569 PolarHBondContact OD2-NZ 2.82Å; V565-K569 HydrophobicContact CB-CB 4.31Å; V565-K569 HydrophobicContact CB-CG 4.38Å; V565-K569 HydrophobicContact CG2-CB 3.9Å; V565-K569 HydrophobicContact CG2-CG 3.98Å; G566-K569 PolarHBondContact O-N 3.29Å; K567-K569 VanDerWaalsContact C-N 3.29Å; K567-K569 PolarHBondContact O-N 2.9Å
570	F	94.9	Very high	91	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-76.9	-21.7	-174	-167.7	-114.7	0	0	0	114	Y528 M532 I558 G562 V565 G566 K567 Q572 D573 V574 V577 I610 L613	Y528-F570 AromaticContact CE2-CD2 3.98Å; Y528-F570 HydrophobicContact CE2-CD2 3.98Å; Y528-F570 WeakPolarHBondContact OH-CD2 3.43Å; M532-F570 HydrophobicContact CE-CE2 4.1Å; I558-F570 HydrophobicContact CG2-CE2 3.98Å; I558-F570 HydrophobicContact CG2-CZ 3.98Å; G562-F570 VanDerWaalsContact CA-CD2 3.43Å; V565-F570 HydrophobicContact CG2-CB 4.46Å; G566-F570 PolarHBondContact O-N 3.27Å; K567-F570 PolarHBondContact O-N 3.35Å; F570-Q572 PolarHBondContact O-N 2.82Å; F570-D573 HydrophobicContact CD2-CB 4.47Å; F570-D573 HydrophobicContact CE2-CB 4.36Å; F570-D573 PolarHBondContact O-N 3.36Å; F570-V574 HydrophobicContact CD1-CG2 3.31Å; F570-V574 HydrophobicContact CE1-CG2 3.59Å; F570-V574 HydrophobicContact CG-CG2 4.25Å; F570-V574 PolarHBondContact O-N 2.77Å; F570-V574 VanDerWaalsContact O-N 3.13Å; F570-V577 HydrophobicContact CZ-CG2 4.37Å; F570-I610 HydrophobicContact CE1-CG1 4.2Å; F570-L613 HydrophobicContact CB-CD2 3.92Å; F570-L613 HydrophobicContact CD1-CD2 3.35Å; F570-L613 HydrophobicContact CE1-CD2 4.18Å; F570-L613 HydrophobicContact CG-CD2 3.92Å
571	I	91.7	Very high	90.2	Very high	86 Å²	86	39.3 Å²	39.3	44%	0.441	21%	0.209	S	C	.	.	H	α-helix	trans	-53.5	-33.1	-172	-161.2	67.7	0	0	0	114.4	K567 D573 L614	K567-I571 WeakPolarHBondContact O-CB 3.26Å; K567-I571 PolarHBondContact O-N 3.03Å; I571-D573 VanDerWaalsContact C-N 3.25Å; I571-D573 PolarHBondContact O-N 3.12Å; I571-L614 HydrophobicContact CD1-CD2 3.73Å
572	Q	90.8	Very high	89.3	Confident	116 Å²	116	40.3 Å²	40.3	54%	0.542	21%	0.214	S	C	.	.	H	α-helix	trans	-67.8	-25.9	179	66.1	177.5	9.3	0	0	112.9	F570	F570-Q572 PolarHBondContact O-N 2.82Å
573	D	92.2	Very high	88.4	Confident	11 Å²	11	45.6 Å²	45.6	6%	0.059	24%	0.239	C	C	.	.	H	α-helix	trans	-103.4	-15.8	-175.5	-73.2	-60.7	0	0	0	112.3	Y528 K536 F570 I571 G575 P576 V577	Y528-D573 WeakPolarHBondContact OH-CB 3.5Å; Y528-D573 PolarHBondContact OH-OD2 2.69Å; K536-D573 IonicContact NZ-OD1 3.62Å; K536-D573 PolarHBondContact NZ-OD1 3.16Å; F570-D573 HydrophobicContact CD2-CB 4.47Å; F570-D573 HydrophobicContact CE2-CB 4.36Å; F570-D573 PolarHBondContact O-N 3.36Å; I571-D573 VanDerWaalsContact C-N 3.25Å; I571-D573 PolarHBondContact O-N 3.12Å; D573-G575 PolarHBondContact O-N 3.34Å; D573-P576 WeakPolarHBondContact O-CD 3.37Å; D573-V577 VanDerWaalsContact O-CB 3.32Å; D573-V577 WeakPolarHBondContact O-CB 3.37Å; D573-V577 WeakPolarHBondContact O-CG2 3.37Å; D573-V577 PolarHBondContact O-N 2.97Å
574	V	89.7	Confident	87.2	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.024	23%	0.233	C	C	.	.	H	α-helix	trans	-52.4	-52	175.7	169.8	0	0	0	0	112.1	F570 V577 M578 I610 L614 Y621	F570-V574 HydrophobicContact CD1-CG2 3.31Å; F570-V574 HydrophobicContact CE1-CG2 3.59Å; F570-V574 HydrophobicContact CG-CG2 4.25Å; F570-V574 PolarHBondContact O-N 2.77Å; F570-V574 VanDerWaalsContact O-N 3.13Å; V574-V577 PolarHBondContact O-N 3.44Å; V574-M578 HydrophobicContact CG1-CG 4.05Å; V574-M578 VanDerWaalsContact O-CB 3.29Å; V574-M578 WeakPolarHBondContact O-CB 3.42Å; V574-M578 VanDerWaalsContact O-CG 3.27Å; V574-M578 WeakPolarHBondContact O-CG 3.36Å; V574-M578 PolarHBondContact O-N 2.85Å; V574-I610 HydrophobicContact CG1-CG2 4.5Å; V574-L614 HydrophobicContact CG1-CD1 3.79Å; V574-L614 HydrophobicContact CG2-CD2 4.17Å; V574-Y621 HydrophobicContact CG1-CE2 4.45Å
575	G	88	Confident	85.7	Confident	25 Å²	25	46.4 Å²	46.4	26%	0.258	24%	0.241	S	C	.	.	H	α-helix	trans	-59.6	-53.6	-176.7	0	0	0	0	0	112.9	D573 V577 M578 N579	D573-G575 PolarHBondContact O-N 3.34Å; G575-V577 PolarHBondContact O-N 2.93Å; G575-M578 PolarHBondContact O-N 3.38Å; G575-N579 WeakPolarHBondContact O-CB 3.29Å; G575-N579 PolarHBondContact O-N 3.32Å; G575-N579 PolarHBondContact O-ND2 3.41Å
576	P	85.3	Confident	84.1	Confident	57 Å²	57	50.3 Å²	50.3	37%	0.37	27%	0.265	S	S	.	.	H	α-helix	trans	-55.1	-47.2	172.6	-27.6	34.3	0	0	0	113.5	D573 N579 L580	D573-P576 WeakPolarHBondContact O-CD 3.37Å; P576-N579 PolarHBondContact O-N 2.9Å; P576-L580 WeakPolarHBondContact O-CD1 3.32Å; P576-L580 WeakPolarHBondContact O-CG 3.22Å; P576-L580 PolarHBondContact O-N 3.03Å
577	V	87.7	Confident	82.4	Confident	4 Å²	4	55 Å²	55	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-48.6	-179.3	171.8	0	0	0	0	110.9	M539 I558 F570 D573 V574 G575 N579 L580 L581 I610	M539-V577 HydrophobicContact CE-CB 4.32Å; M539-V577 HydrophobicContact CE-CG1 4.28Å; M539-V577 HydrophobicContact CE-CG2 4.09Å; I558-V577 HydrophobicContact CG2-CG1 4.11Å; I558-V577 HydrophobicContact CG2-CG2 3.83Å; F570-V577 HydrophobicContact CZ-CG2 4.37Å; D573-V577 VanDerWaalsContact O-CB 3.32Å; D573-V577 WeakPolarHBondContact O-CB 3.37Å; D573-V577 WeakPolarHBondContact O-CG2 3.37Å; D573-V577 PolarHBondContact O-N 2.97Å; V574-V577 PolarHBondContact O-N 3.44Å; G575-V577 PolarHBondContact O-N 2.93Å; V577-N579 PolarHBondContact O-N 3.16Å; V577-L580 PolarHBondContact O-N 3.22Å; V577-L581 HydrophobicContact CG1-CD1 4.02Å; V577-L581 HydrophobicContact CG1-CG 4.47Å; V577-L581 WeakPolarHBondContact O-CG 3.21Å; V577-L581 PolarHBondContact O-N 3.32Å; V577-I610 HydrophobicContact CG1-CD1 4.19Å
578	M	87.8	Confident	80.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-45	177.2	-72.7	-58.9	-68.1	0	0	111.5	V574 G575 L580 L581 L582 I610 F618 Y621 V625	V574-M578 HydrophobicContact CG1-CG 4.05Å; V574-M578 VanDerWaalsContact O-CB 3.29Å; V574-M578 WeakPolarHBondContact O-CB 3.42Å; V574-M578 VanDerWaalsContact O-CG 3.27Å; V574-M578 WeakPolarHBondContact O-CG 3.36Å; V574-M578 PolarHBondContact O-N 2.85Å; G575-M578 PolarHBondContact O-N 3.38Å; M578-L580 VanDerWaalsContact C-N 3.25Å; M578-L580 PolarHBondContact O-N 2.99Å; M578-L581 PolarHBondContact O-N 2.61Å; M578-L581 HydrophobicContact SD-CD1 4.22Å; M578-L582 WeakPolarHBondContact O-CB 3.36Å; M578-L582 WeakPolarHBondContact O-CG 3.03Å; M578-L582 PolarHBondContact O-N 2.93Å; M578-I610 HydrophobicContact SD-CD1 3.79Å; M578-I610 HydrophobicContact SD-CG2 4.15Å; M578-F618 HydrophobicContact CE-CE2 3.92Å; M578-F618 HydrophobicContact CE-CZ 4.23Å; M578-F618 HydrophobicContact SD-CE2 4.39Å; M578-Y621 HydrophobicContact CB-CD1 4.25Å; M578-Y621 HydrophobicContact CB-CE1 3.83Å; M578-Y621 HydrophobicContact CE-CD1 3.73Å; M578-Y621 HydrophobicContact CE-CD2 4.42Å; M578-Y621 HydrophobicContact CE-CE1 4.4Å; M578-Y621 HydrophobicContact CE-CG 3.74Å; M578-Y621 HydrophobicContact CG-CD1 4.3Å; M578-Y621 HydrophobicContact CG-CE1 4.03Å; M578-V625 HydrophobicContact CE-CG1 4.24Å
579	N	84.4	Confident	77.7	Confident	96 Å²	96	56 Å²	56	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-58.9	-38.6	176.9	-80.6	-29.8	0	0	0	112.3	G575 P576 V577 L582 Q583	G575-N579 WeakPolarHBondContact O-CB 3.29Å; G575-N579 PolarHBondContact O-N 3.32Å; G575-N579 PolarHBondContact O-ND2 3.41Å; P576-N579 PolarHBondContact O-N 2.9Å; V577-N579 PolarHBondContact O-N 3.16Å; N579-L582 PolarHBondContact O-N 2.7Å; N579-Q583 WeakPolarHBondContact O-CB 3.25Å; N579-Q583 VanDerWaalsContact O-CG 3.28Å; N579-Q583 WeakPolarHBondContact O-CG 3.49Å; N579-Q583 PolarHBondContact O-N 2.92Å
580	L	76.5	Confident	75.3	Confident	20 Å²	20	55.1 Å²	55.1	11%	0.105	30%	0.304	C	S	.	.	H	α-helix	trans	-69.9	-40.8	177.9	-79.2	159	0	0	0	112.8	M539 E540 P576 V577 M578 L582 Q583 T584	M539-L580 HydrophobicContact CE-CB 3.71Å; M539-L580 HydrophobicContact CE-CD1 3.4Å; M539-L580 HydrophobicContact CE-CG 4.17Å; E540-L580 HydrophobicContact CB-CD2 4.4Å; E540-L580 HydrophobicContact CG-CD1 3.39Å; E540-L580 HydrophobicContact CG-CD2 3.61Å; E540-L580 HydrophobicContact CG-CG 4.14Å; P576-L580 WeakPolarHBondContact O-CD1 3.32Å; P576-L580 WeakPolarHBondContact O-CG 3.22Å; P576-L580 PolarHBondContact O-N 3.03Å; V577-L580 PolarHBondContact O-N 3.22Å; M578-L580 VanDerWaalsContact C-N 3.25Å; M578-L580 PolarHBondContact O-N 2.99Å; L580-L582 VanDerWaalsContact C-N 3.32Å; L580-Q583 PolarHBondContact O-N 2.95Å; L580-T584 PolarHBondContact O-N 2.82Å; L580-T584 VanDerWaalsContact O-N 3.15Å; L580-T584 PolarHBondContact O-OG1 3.35Å
581	L	78.3	Confident	72.8	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-44.3	172.8	-66.4	171.8	0	0	0	110.7	I555 V577 M578 T584 Q585 M603 W607 I610	I555-L581 HydrophobicContact CB-CD2 4.36Å; I555-L581 HydrophobicContact CD1-CD2 3.69Å; I555-L581 HydrophobicContact CG1-CD2 3.81Å; I555-L581 HydrophobicContact CG2-CD2 3.61Å; V577-L581 HydrophobicContact CG1-CD1 4.02Å; V577-L581 HydrophobicContact CG1-CG 4.47Å; V577-L581 WeakPolarHBondContact O-CG 3.21Å; V577-L581 PolarHBondContact O-N 3.32Å; M578-L581 PolarHBondContact O-N 2.61Å; M578-L581 HydrophobicContact SD-CD1 4.22Å; L581-T584 WeakPolarHBondContact O-CB 3.28Å; L581-T584 PolarHBondContact O-N 2.68Å; L581-Q585 PolarHBondContact O-N 2.91Å; L581-M603 HydrophobicContact CD2-CG 4.07Å; L581-M603 WeakPolarHBondContact O-CE 3.36Å; L581-W607 HydrophobicContact CB-CZ2 4.37Å; L581-I610 HydrophobicContact CD1-CD1 4.21Å
582	L	78.4	Confident	70.4	Confident	22 Å²	22	59.2 Å²	59.2	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-70	-36.5	-179.7	-66.2	177.8	0	0	0	113.3	M578 N579 L580 T584 Q585 T586 V624 V625	M578-L582 WeakPolarHBondContact O-CB 3.36Å; M578-L582 WeakPolarHBondContact O-CG 3.03Å; M578-L582 PolarHBondContact O-N 2.93Å; N579-L582 PolarHBondContact O-N 2.7Å; L580-L582 VanDerWaalsContact C-N 3.32Å; L582-T584 VanDerWaalsContact C-N 3.33Å; L582-Q585 WeakPolarHBondContact O-CB 3.29Å; L582-Q585 PolarHBondContact O-N 2.97Å; L582-T586 PolarHBondContact O-N 2.75Å; L582-T586 PolarHBondContact O-OG1 2.87Å; L582-V624 HydrophobicContact CD1-CB 4.22Å; L582-V624 HydrophobicContact CD1-CG1 3.92Å; L582-V624 HydrophobicContact CD1-CG2 4.42Å; L582-V624 HydrophobicContact CD2-CB 3.77Å; L582-V624 HydrophobicContact CD2-CG1 3.26Å; L582-V624 HydrophobicContact CG-CG1 4.06Å; L582-V625 HydrophobicContact CD2-CG1 4.49Å
583	Q	75.4	Confident	68.2	Low	111 Å²	111	58.8 Å²	58.8	52%	0.519	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-39.2	175	-81.6	179.2	8.1	0	0	112.1	N579 L580 Q585 T586 Q587	N579-Q583 WeakPolarHBondContact O-CB 3.25Å; N579-Q583 VanDerWaalsContact O-CG 3.28Å; N579-Q583 WeakPolarHBondContact O-CG 3.49Å; N579-Q583 PolarHBondContact O-N 2.92Å; L580-Q583 PolarHBondContact O-N 2.95Å; Q583-Q585 PolarHBondContact O-N 2.89Å; Q583-T586 PolarHBondContact O-N 2.82Å; Q583-Q587 PolarHBondContact O-N 3.32Å
584	T	68.2	Low	66.3	Low	22 Å²	22	62 Å²	62	14%	0.135	35%	0.353	C	S	.	.	H	α-helix	trans	-59.3	-29.9	177	-55.2	0	0	0	0	111.5	R551 L580 L581 L582 M603	R551-T584 VanDerWaalsContact CZ-OG1 3.3Å; R551-T584 PolarHBondContact NH1-OG1 3.05Å; R551-T584 VanDerWaalsContact NH1-OG1 3.1Å; R551-T584 PolarHBondContact NH2-OG1 3.41Å; L580-T584 PolarHBondContact O-N 2.82Å; L580-T584 VanDerWaalsContact O-N 3.15Å; L580-T584 PolarHBondContact O-OG1 3.35Å; L581-T584 WeakPolarHBondContact O-CB 3.28Å; L581-T584 PolarHBondContact O-N 2.68Å; L582-T584 VanDerWaalsContact C-N 3.33Å; T584-M603 HydrophobicContact CG2-CE 4.46Å; T584-M603 HydrophobicContact CG2-SD 3.95Å
585	Q	64	Low	64.5	Low	53 Å²	53	70.1 Å²	70.1	25%	0.248	39%	0.391	C	S	.	.	H	α-helix	trans	-87.9	-25.7	-176.5	-143.2	-178.7	22.2	0	0	114.5	L581 L582 Q583 M603	L581-Q585 PolarHBondContact O-N 2.91Å; L582-Q585 WeakPolarHBondContact O-CB 3.29Å; L582-Q585 PolarHBondContact O-N 2.97Å; Q583-Q585 PolarHBondContact O-N 2.89Å; Q585-M603 HydrophobicContact CB-CE 4.36Å; Q585-M603 HydrophobicContact CG-CE 4.44Å
586	T	61.2	Low	63.2	Low	93 Å²	93	73.2 Å²	73.2	57%	0.571	40%	0.402	S	S	*	.	H	α-helix	trans	-101.7	-2.3	-170.3	44.7	0	0	0	0	113.9	L582 Q583 P588	L582-T586 PolarHBondContact O-N 2.75Å; L582-T586 PolarHBondContact O-OG1 2.87Å; Q583-T586 PolarHBondContact O-N 2.82Å; T586-P588 WeakPolarHBondContact O-CD 3.4Å
587	Q	57.3	Low	62.4	Low	120 Å²	120	71.9 Å²	71.9	56%	0.561	39%	0.391	S	S	*	.			trans	-68.4	113.7	175.5	-78.5	-169.2	-1.4	0	0	110.4	Q583 D589 S590	Q583-Q587 PolarHBondContact O-N 3.32Å; Q587-D589 VanDerWaalsContact C-N 3.27Å; Q587-D589 PolarHBondContact O-N 3.16Å; Q587-S590 PolarHBondContact O-OG 3.34Å
588	P	43.2	Very low	61.8	Low	121 Å²	121	74.6 Å²	74.6	79%	0.786	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.8	-176.7	-4.4	21.6	0	0	0	113.6	T586	T586-P588 WeakPolarHBondContact O-CD 3.4Å
589	D	42.7	Very low	61.3	Low	160 Å²	160	74.8 Å²	74.8	86%	0.856	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-0.3	-171.5	-68.6	-29	0	0	0	113.5	Q587	Q587-D589 VanDerWaalsContact C-N 3.27Å; Q587-D589 PolarHBondContact O-N 3.16Å
590	S	42.8	Very low	60.9	Low	35 Å²	35	71.1 Å²	71.1	25%	0.245	39%	0.393	C	S	.	.	S	Bend	trans	-75.8	136.9	162.8	37.8	0	0	0	0	107.7	Q587 S592	Q587-S590 PolarHBondContact O-OG 3.34Å; S590-S592 WeakPolarHBondContact CB-OG 3.5Å; S590-S592 PolarHBondContact O-N 2.86Å; S590-S592 PolarHBondContact O-OG 3.47Å; S590-S592 WeakPolarHBondContact OG-CB 3.25Å; S590-S592 PolarHBondContact OG-OG 3.47Å
591	E	43	Very low	61	Low	126 Å²	126	71.8 Å²	71.8	59%	0.589	40%	0.399	S	S	*	.	S	Bend	trans	-58.1	24.4	159.4	-64	169	159.5	0	0	112	K545 S593 D594	K545-E591 WeakPolarHBondContact CE-OE2 3.43Å; K545-E591 IonicContact NZ-OE2 2.75Å; K545-E591 PolarHBondContact NZ-OE2 3.37Å; E591-S593 PolarHBondContact O-N 2.9Å; E591-D594 PolarHBondContact O-N 3.41Å
592	S	41.1	Very low	61.3	Low	46 Å²	46	73.5 Å²	73.5	32%	0.322	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	17.7	176.3	60.2	0	0	0	0	113.2	S590	S590-S592 WeakPolarHBondContact CB-OG 3.5Å; S590-S592 PolarHBondContact O-N 2.86Å; S590-S592 PolarHBondContact O-OG 3.47Å; S590-S592 WeakPolarHBondContact OG-CB 3.25Å; S590-S592 PolarHBondContact OG-OG 3.47Å
593	S	45.1	Very low	61.6	Low	107 Å²	107	73 Å²	73	75%	0.748	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1	155.7	61.6	0	0	0	0	111.8	E591 E595	E591-S593 PolarHBondContact O-N 2.9Å; S593-E595 PolarHBondContact O-N 3.33Å; S593-E595 VanDerWaalsContact O-N 3.1Å
594	D	51.9	Low	61.8	Low	79 Å²	79	67.8 Å²	67.8	42%	0.422	38%	0.378	S	S	.	.			trans	-55.7	114.8	163.3	-70.1	-21.9	0	0	0	106.9	K545 E591 D596 D597	K545-D594 IonicContact NZ-OD2 2.78Å; E591-D594 PolarHBondContact O-N 3.41Å; D594-D596 PolarHBondContact O-N 3.02Å; D594-D597 PolarHBondContact O-N 2.87Å
595	E	53.2	Low	62.6	Low	175 Å²	175	68.1 Å²	68.1	82%	0.818	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-15.3	179.3	-72.9	178.8	150.9	0	0	111.9	S593	S593-E595 PolarHBondContact O-N 3.33Å; S593-E595 VanDerWaalsContact O-N 3.1Å
596	D	59.9	Low	63.9	Low	90 Å²	90	65.6 Å²	65.6	48%	0.481	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	44	-179.8	-68	-36.5	0	0	0	114.1	D594 P598 R670	D594-D596 PolarHBondContact O-N 3.02Å; D596-P598 WeakPolarHBondContact O-CD 3.06Å; D596-R670 IonicContact OD1-NH2 2.62Å; D596-R670 IonicContact OD2-CZ 3.87Å; D596-R670 IonicContact OD2-NH2 2.75Å; D596-R670 PolarHBondContact OD2-NH2 3.41Å
597	D	69.3	Low	65.2	Low	29 Å²	29	61.2 Å²	61.2	16%	0.155	34%	0.343	C	S	.	.			trans	-74.2	111.3	169.2	-170.7	-17.1	0	0	0	110.4	D594 Q599 A600	D594-D597 PolarHBondContact O-N 2.87Å; D597-Q599 PolarHBondContact O-N 3.49Å; D597-Q599 WeakPolarHBondContact OD1-CB 3.25Å; D597-Q599 PolarHBondContact OD1-N 3.25Å; D597-Q599 VanDerWaalsContact OD1-N 3.08Å; D597-Q599 PolarHBondContact OD1-NE2 2.98Å; D597-Q599 PolarHBondContact OD2-NE2 3.09Å; D597-A600 WeakPolarHBondContact O-CB 3.3Å; D597-A600 PolarHBondContact O-N 3.41Å
598	P	74.2	Confident	66.5	Low	61 Å²	61	56.5 Å²	56.5	40%	0.396	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-7.9	-175.4	28.2	-37.5	0	0	0	113.7	R548 D596 Y602	R548-P598 HydrophobicContact CB-CG 4.24Å; D596-P598 WeakPolarHBondContact O-CD 3.06Å; P598-Y602 WeakPolarHBondContact O-CD2 3.25Å; P598-Y602 WeakPolarHBondContact O-CE2 3.37Å
599	Q	78.2	Confident	68.8	Low	4 Å²	4	53.1 Å²	53.1	2%	0.019	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-18.2	175.1	-72.1	163.2	99.7	0	0	113.8	R548 D597 S601 Y602 M603	R548-Q599 HydrophobicContact CB-CG 3.97Å; R548-Q599 VanDerWaalsContact CB-NE2 3.34Å; R548-Q599 WeakPolarHBondContact O-CG 3.46Å; D597-Q599 PolarHBondContact O-N 3.49Å; D597-Q599 WeakPolarHBondContact OD1-CB 3.25Å; D597-Q599 PolarHBondContact OD1-N 3.25Å; D597-Q599 VanDerWaalsContact OD1-N 3.08Å; D597-Q599 PolarHBondContact OD1-NE2 2.98Å; D597-Q599 PolarHBondContact OD2-NE2 3.09Å; Q599-S601 PolarHBondContact O-N 3.03Å; Q599-Y602 PolarHBondContact O-N 3.45Å; Q599-M603 HydrophobicContact CB-SD 4.49Å; Q599-M603 WeakPolarHBondContact O-CG 3.36Å; Q599-M603 PolarHBondContact O-N 2.92Å
600	A	75.1	Confident	71.1	Confident	19 Å²	19	45.6 Å²	45.6	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-58.1	-49.5	-171.5	0	0	0	0	0	111.5	D597 Y602 M603 I604	D597-A600 WeakPolarHBondContact O-CB 3.3Å; D597-A600 PolarHBondContact O-N 3.41Å; A600-Y602 PolarHBondContact O-N 2.91Å; A600-M603 PolarHBondContact O-N 3.45Å; A600-I604 WeakPolarHBondContact O-CB 3.34Å; A600-I604 VanDerWaalsContact O-CG1 3.22Å; A600-I604 WeakPolarHBondContact O-CG1 3.28Å; A600-I604 PolarHBondContact O-N 3.37Å
601	S	77.9	Confident	73.4	Confident	33 Å²	33	43.9 Å²	43.9	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-55.3	-50.1	175.6	58.8	0	0	0	0	112.8	Q599 M603 I604 S605 D676	Q599-S601 PolarHBondContact O-N 3.03Å; S601-M603 VanDerWaalsContact C-N 3.34Å; S601-M603 PolarHBondContact O-N 3.37Å; S601-I604 WeakPolarHBondContact O-CB 3.44Å; S601-I604 PolarHBondContact O-N 3.1Å; S601-S605 PolarHBondContact O-N 3.47Å; S601-S605 PolarHBondContact O-OG 3.34Å; S601-D676 VanDerWaalsContact CB-OD1 3.3Å; S601-D676 WeakPolarHBondContact CB-OD1 3.41Å
602	Y	85.2	Confident	75.6	Confident	38 Å²	38	43.7 Å²	43.7	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-39	179.2	-66.5	-82	0	0	0	112.7	L549 G552 K553 E556 P598 Q599 A600 A606	L549-Y602 HydrophobicContact CD1-CE2 3.94Å; G552-Y602 VanDerWaalsContact C-CG 3.45Å; G552-Y602 WeakPolarHBondContact O-CB 3.34Å; G552-Y602 WeakPolarHBondContact O-CD1 3.14Å; K553-Y602 HydrophobicContact CG-CE1 3.92Å; E556-Y602 HydrophobicContact CB-CD1 3.85Å; P598-Y602 WeakPolarHBondContact O-CD2 3.25Å; P598-Y602 WeakPolarHBondContact O-CE2 3.37Å; Q599-Y602 PolarHBondContact O-N 3.45Å; A600-Y602 PolarHBondContact O-N 2.91Å; Y602-A606 VanDerWaalsContact O-CB 3.24Å; Y602-A606 WeakPolarHBondContact O-CB 3.46Å; Y602-A606 PolarHBondContact O-N 3.1Å
603	M	83.9	Confident	77.9	Confident	11 Å²	11	42.5 Å²	42.5	5%	0.054	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-45.3	177.5	-72.6	179.4	56.6	0	0	111.6	I555 L581 T584 Q585 Q599 A600 S601 A606 W607	I555-M603 HydrophobicContact CD1-CG 4.06Å; L581-M603 HydrophobicContact CD2-CG 4.07Å; L581-M603 WeakPolarHBondContact O-CE 3.36Å; T584-M603 HydrophobicContact CG2-CE 4.46Å; T584-M603 HydrophobicContact CG2-SD 3.95Å; Q585-M603 HydrophobicContact CB-CE 4.36Å; Q585-M603 HydrophobicContact CG-CE 4.44Å; Q599-M603 HydrophobicContact CB-SD 4.49Å; Q599-M603 WeakPolarHBondContact O-CG 3.36Å; Q599-M603 PolarHBondContact O-N 2.92Å; A600-M603 PolarHBondContact O-N 3.45Å; S601-M603 VanDerWaalsContact C-N 3.34Å; S601-M603 PolarHBondContact O-N 3.37Å; M603-A606 PolarHBondContact O-N 2.84Å; M603-W607 HydrophobicContact CB-CH2 4.23Å; M603-W607 HydrophobicContact CB-CZ2 4.38Å; M603-W607 HydrophobicContact CE-CH2 3.79Å; M603-W607 HydrophobicContact CE-CZ2 3.62Å; M603-W607 PolarHBondContact O-N 3.12Å
604	I	81	Confident	80.1	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-59.7	175.3	-75.1	172	0	0	0	108.4	A600 S601 A606 W607 A608 T679 M683	A600-I604 WeakPolarHBondContact O-CB 3.34Å; A600-I604 VanDerWaalsContact O-CG1 3.22Å; A600-I604 WeakPolarHBondContact O-CG1 3.28Å; A600-I604 PolarHBondContact O-N 3.37Å; S601-I604 WeakPolarHBondContact O-CB 3.44Å; S601-I604 PolarHBondContact O-N 3.1Å; I604-A606 VanDerWaalsContact C-N 3.29Å; I604-A606 PolarHBondContact O-N 3.49Å; I604-W607 HydrophobicContact CG1-CE3 4.46Å; I604-W607 HydrophobicContact CG1-CZ3 4.12Å; I604-W607 PolarHBondContact O-N 3.3Å; I604-A608 PolarHBondContact O-N 2.86Å; I604-T679 HydrophobicContact CG2-CG2 3.58Å; I604-M683 VanDerWaalsContact C-SD 3.5Å; I604-M683 HydrophobicContact CB-SD 3.79Å; I604-M683 HydrophobicContact CG1-SD 4.35Å; I604-M683 HydrophobicContact CG2-CG 3.44Å; I604-M683 VanDerWaalsContact CG2-CG 3.44Å; I604-M683 HydrophobicContact CG2-SD 3.12Å; I604-M683 WeakPolarHBondContact CG2-SD 3.41Å; I604-M683 WeakPolarHBondContact O-CE 3.47Å
605	S	85	Confident	81.8	Confident	29 Å²	29	34.8 Å²	34.8	20%	0.203	19%	0.186	C	C	.	.	H	α-helix	trans	-55.4	-39.5	178.4	-67.3	0	0	0	0	113.7	S601 A608 R609 T679	S601-S605 PolarHBondContact O-N 3.47Å; S601-S605 PolarHBondContact O-OG 3.34Å; S605-A608 PolarHBondContact O-N 3.38Å; S605-R609 WeakPolarHBondContact O-CG 3.4Å; S605-R609 PolarHBondContact O-N 3.49Å; S605-R609 VanDerWaalsContact O-N 3.16Å; S605-T679 VanDerWaalsContact OG-CG2 3.26Å; S605-T679 WeakPolarHBondContact OG-CG2 3.37Å
606	A	89.9	Confident	83.4	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-40.4	177.3	0	0	0	0	0	113.1	I555 Y602 M603 I604 A608 R609 I610	I555-A606 HydrophobicContact CG2-CB 3.4Å; I555-A606 VanDerWaalsContact CG2-CB 3.4Å; Y602-A606 VanDerWaalsContact O-CB 3.24Å; Y602-A606 WeakPolarHBondContact O-CB 3.46Å; Y602-A606 PolarHBondContact O-N 3.1Å; M603-A606 PolarHBondContact O-N 2.84Å; I604-A606 VanDerWaalsContact C-N 3.29Å; I604-A606 PolarHBondContact O-N 3.49Å; A606-A608 VanDerWaalsContact C-N 3.31Å; A606-A608 PolarHBondContact O-N 3.25Å; A606-R609 PolarHBondContact O-N 3.01Å; A606-I610 VanDerWaalsContact O-CG1 3.27Å; A606-I610 WeakPolarHBondContact O-CG1 3.42Å; A606-I610 PolarHBondContact O-N 2.78Å
607	W	88.8	Confident	84.8	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-35	175.6	-67.8	-34.8	0	0	0	112.5	L581 M603 I604 I610 C611 F618 V625 Q628 V629 M683 Y687	L581-W607 HydrophobicContact CB-CZ2 4.37Å; M603-W607 HydrophobicContact CB-CH2 4.23Å; M603-W607 HydrophobicContact CB-CZ2 4.38Å; M603-W607 HydrophobicContact CE-CH2 3.79Å; M603-W607 HydrophobicContact CE-CZ2 3.62Å; M603-W607 PolarHBondContact O-N 3.12Å; I604-W607 HydrophobicContact CG1-CE3 4.46Å; I604-W607 HydrophobicContact CG1-CZ3 4.12Å; I604-W607 PolarHBondContact O-N 3.3Å; W607-I610 PolarHBondContact O-N 2.98Å; W607-C611 WeakPolarHBondContact O-CB 3.21Å; W607-C611 PolarHBondContact O-N 3.38Å; W607-F618 HydrophobicContact CB-CZ 4.39Å; W607-V625 HydrophobicContact CB-CG1 4.44Å; W607-V625 HydrophobicContact CD2-CB 4.14Å; W607-V625 HydrophobicContact CD2-CG1 3.47Å; W607-V625 VanDerWaalsContact CD2-CG1 3.47Å; W607-V625 HydrophobicContact CE3-CB 4.1Å; W607-V625 HydrophobicContact CE3-CG1 3.93Å; W607-V625 HydrophobicContact CG-CG1 3.71Å; W607-V625 HydrophobicContact CZ2-CG1 4.24Å; W607-Q628 HydrophobicContact CZ3-CG 4.44Å; W607-V629 HydrophobicContact CE3-CG2 4.3Å; W607-V629 HydrophobicContact CZ3-CG2 4.46Å; W607-M683 HydrophobicContact CB-CE 3.81Å; W607-Y687 VanDerWaalsContact CB-OH 3.3Å; W607-Y687 WeakPolarHBondContact CB-OH 3.25Å
608	A	85.7	Confident	85.8	Confident	20 Å²	20	30.3 Å²	30.3	17%	0.165	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-47.5	176.6	0	0	0	0	0	110.1	I604 S605 A606 I610 C611 K612 M683	I604-A608 PolarHBondContact O-N 2.86Å; S605-A608 PolarHBondContact O-N 3.38Å; A606-A608 VanDerWaalsContact C-N 3.31Å; A606-A608 PolarHBondContact O-N 3.25Å; A608-I610 VanDerWaalsContact C-N 3.33Å; A608-I610 PolarHBondContact O-N 3.32Å; A608-C611 WeakPolarHBondContact O-CB 3.49Å; A608-C611 PolarHBondContact O-N 3.46Å; A608-C611 VanDerWaalsContact O-N 3.17Å; A608-K612 WeakPolarHBondContact O-CB 3.13Å; A608-K612 PolarHBondContact O-N 2.93Å; A608-M683 HydrophobicContact CB-CE 3.32Å; A608-M683 HydrophobicContact CB-CG 4.36Å
609	R	90.2	Very high	86.6	Confident	51 Å²	51	31.9 Å²	31.9	19%	0.192	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-42	177.9	-65.8	173.5	-169.5	136.2	-4.2	111.3	E556 S559 L563 S605 A606 K612 L613	E556-R609 IonicContact OE1-CZ 2.85Å; E556-R609 IonicContact OE1-NH1 3.45Å; E556-R609 PolarHBondContact OE1-NH1 3.27Å; E556-R609 IonicContact OE1-NH2 3.37Å; E556-R609 PolarHBondContact OE1-NH2 3.14Å; S559-R609 WeakPolarHBondContact OG-CD 3.1Å; S559-R609 PolarHBondContact OG-NH1 3.47Å; S559-R609 VanDerWaalsContact OG-NH1 3.16Å; L563-R609 HydrophobicContact CD2-CG 4.49Å; S605-R609 WeakPolarHBondContact O-CG 3.4Å; S605-R609 PolarHBondContact O-N 3.49Å; S605-R609 VanDerWaalsContact O-N 3.16Å; A606-R609 PolarHBondContact O-N 3.01Å; R609-K612 PolarHBondContact O-N 3.41Å; R609-L613 VanDerWaalsContact O-CB 3.31Å; R609-L613 WeakPolarHBondContact O-CB 3.42Å; R609-L613 PolarHBondContact O-N 2.89Å
610	I	91.8	Very high	87.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-38.2	175.7	-64.6	169.2	0	0	0	111.3	F570 V574 V577 M578 L581 A606 W607 A608 L613 L614 F618	F570-I610 HydrophobicContact CE1-CG1 4.2Å; V574-I610 HydrophobicContact CG1-CG2 4.5Å; V577-I610 HydrophobicContact CG1-CD1 4.19Å; M578-I610 HydrophobicContact SD-CD1 3.79Å; M578-I610 HydrophobicContact SD-CG2 4.15Å; L581-I610 HydrophobicContact CD1-CD1 4.21Å; A606-I610 VanDerWaalsContact O-CG1 3.27Å; A606-I610 WeakPolarHBondContact O-CG1 3.42Å; A606-I610 PolarHBondContact O-N 2.78Å; W607-I610 PolarHBondContact O-N 2.98Å; A608-I610 VanDerWaalsContact C-N 3.33Å; A608-I610 PolarHBondContact O-N 3.32Å; I610-L613 WeakPolarHBondContact O-CB 3.49Å; I610-L613 PolarHBondContact O-N 2.92Å; I610-L614 HydrophobicContact CG2-CD1 3.91Å; I610-L614 HydrophobicContact CG2-CG 4.2Å; I610-L614 WeakPolarHBondContact O-CB 3.48Å; I610-L614 WeakPolarHBondContact O-CG 3.49Å; I610-L614 PolarHBondContact O-N 3.49Å; I610-F618 HydrophobicContact CB-CE2 4.37Å; I610-F618 HydrophobicContact CG2-CD2 4.07Å; I610-F618 HydrophobicContact CG2-CE2 3.96Å
611	C	91.3	Very high	88	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-48.9	175.1	179.2	0	0	0	0	111.7	W607 A608 L613 L614 G615 F618 Y687 M691	W607-C611 WeakPolarHBondContact O-CB 3.21Å; W607-C611 PolarHBondContact O-N 3.38Å; A608-C611 WeakPolarHBondContact O-CB 3.49Å; A608-C611 PolarHBondContact O-N 3.46Å; A608-C611 VanDerWaalsContact O-N 3.17Å; C611-L613 PolarHBondContact O-N 3.32Å; C611-L614 PolarHBondContact O-N 3.04Å; C611-G615 PolarHBondContact O-N 3.2Å; C611-F618 HydrophobicContact CB-CB 4.37Å; C611-F618 HydrophobicContact CB-CD1 3.74Å; C611-F618 HydrophobicContact CB-CD2 3.98Å; C611-F618 HydrophobicContact CB-CE1 3.94Å; C611-F618 HydrophobicContact CB-CE2 4.18Å; C611-F618 HydrophobicContact CB-CG 3.77Å; C611-F618 HydrophobicContact CB-CZ 4.15Å; C611-Y687 HydrophobicContact CB-CD1 3.87Å; C611-Y687 HydrophobicContact CB-CE1 3.63Å; C611-Y687 VanDerWaalsContact SG-CD1 3.55Å; C611-M691 VanDerWaalsContact SG-CE 3.58Å
612	K	88.7	Confident	88.6	Confident	121 Å²	121	36 Å²	36	53%	0.526	18%	0.182	S	C	.	.	H	α-helix	trans	-55.4	-40.8	174.7	-173.6	177.1	-179.1	-180	0	111.3	L563 A608 R609	L563-K612 HydrophobicContact CD1-CD 4.41Å; L563-K612 HydrophobicContact CD1-CG 4.48Å; A608-K612 WeakPolarHBondContact O-CB 3.13Å; A608-K612 PolarHBondContact O-N 2.93Å; R609-K612 PolarHBondContact O-N 3.41Å
613	L	90.1	Very high	88.8	Confident	21 Å²	21	38.1 Å²	38.1	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-42.3	178.4	-176.4	66.4	0	0	0	113.6	G562 L563 K567 F570 R609 I610 C611	G562-L613 WeakPolarHBondContact O-CD2 3.37Å; L563-L613 HydrophobicContact CD1-CB 4.33Å; L563-L613 HydrophobicContact CD1-CD1 4.47Å; K567-L613 HydrophobicContact CB-CD1 4.16Å; K567-L613 HydrophobicContact CB-CG 4.3Å; K567-L613 VanDerWaalsContact N-CD1 3.28Å; F570-L613 HydrophobicContact CB-CD2 3.92Å; F570-L613 HydrophobicContact CD1-CD2 3.35Å; F570-L613 HydrophobicContact CE1-CD2 4.18Å; F570-L613 HydrophobicContact CG-CD2 3.92Å; R609-L613 VanDerWaalsContact O-CB 3.31Å; R609-L613 WeakPolarHBondContact O-CB 3.42Å; R609-L613 PolarHBondContact O-N 2.89Å; I610-L613 WeakPolarHBondContact O-CB 3.49Å; I610-L613 PolarHBondContact O-N 2.92Å; C611-L613 PolarHBondContact O-N 3.32Å
614	L	90.4	Very high	88.9	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-84	-26.5	-175.3	-69.9	-174.1	0	0	0	113.2	K567 I571 V574 I610 C611 D617 F618 Y621	K567-L614 HydrophobicContact CD-CD2 4.49Å; K567-L614 HydrophobicContact CG-CD2 4.21Å; K567-L614 PolarHBondContact NZ-O 3.31Å; I571-L614 HydrophobicContact CD1-CD2 3.73Å; V574-L614 HydrophobicContact CG1-CD1 3.79Å; V574-L614 HydrophobicContact CG2-CD2 4.17Å; I610-L614 HydrophobicContact CG2-CD1 3.91Å; I610-L614 HydrophobicContact CG2-CG 4.2Å; I610-L614 WeakPolarHBondContact O-CB 3.48Å; I610-L614 WeakPolarHBondContact O-CG 3.49Å; I610-L614 PolarHBondContact O-N 3.49Å; C611-L614 PolarHBondContact O-N 3.04Å; L614-D617 HydrophobicContact CB-CB 4.27Å; L614-D617 PolarHBondContact O-N 3.49Å; L614-F618 HydrophobicContact CB-CB 4.12Å; L614-F618 HydrophobicContact CD1-CB 4.5Å; L614-F618 HydrophobicContact CD1-CD2 4.09Å; L614-Y621 HydrophobicContact CD1-CE2 4.3Å
615	G	87.9	Confident	89.2	Confident	18 Å²	18	40.4 Å²	40.4	19%	0.186	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	56.9	-135.5	-168.2	0	0	0	0	0	110.1	C611 D617 F618 M691	C611-G615 PolarHBondContact O-N 3.2Å; G615-D617 PolarHBondContact O-N 3.36Å; G615-F618 WeakPolarHBondContact O-CB 3.44Å; G615-F618 PolarHBondContact O-N 2.71Å; G615-M691 VanDerWaalsContact C-CE 3.5Å; G615-M691 WeakPolarHBondContact O-CE 3.15Å
616	R	86.9	Confident	89.5	Confident	106 Å²	106	39.1 Å²	39.1	40%	0.4	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-54.8	-24	-178.1	-67.2	-176.6	172.1	-159.9	-11.4	115.4	F618 E619 E693 E1061	R616-F618 PolarHBondContact O-N 2.92Å; R616-F618 VanDerWaalsContact O-N 3.17Å; R616-E619 WeakPolarHBondContact O-CB 3.42Å; R616-E619 PolarHBondContact O-N 3.44Å; R616-E619 VanDerWaalsContact O-N 3.17Å; R616-E693 IonicContact CZ-OE2 2.78Å; R616-E693 IonicContact NH2-OE1 3.7Å; R616-E693 IonicContact NH2-OE2 3.58Å; R616-E693 PolarHBondContact NH2-OE2 3.06Å; R616-E1061 IonicContact CZ-OE1 2.79Å; R616-E1061 IonicContact NE-OE1 3.08Å
617	D	88.9	Confident	89.4	Confident	95 Å²	95	42.4 Å²	42.4	51%	0.508	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-68	-12.2	176.9	-68.3	-15.4	0	0	0	113	K567 L614 G615 E619	K567-D617 WeakPolarHBondContact CE-OD2 3.28Å; K567-D617 IonicContact NZ-OD2 2.8Å; K567-D617 PolarHBondContact NZ-OD2 2.91Å; L614-D617 HydrophobicContact CB-CB 4.27Å; L614-D617 PolarHBondContact O-N 3.49Å; G615-D617 PolarHBondContact O-N 3.36Å; D617-E619 VanDerWaalsContact C-N 3.26Å; D617-E619 PolarHBondContact O-N 3.36Å
618	F	91.3	Very high	89.2	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-74.2	-14.6	174.3	-166.1	-100	0	0	0	113.2	M578 W607 I610 C611 L614 G615 R616 S620 Y621 L622 V625 Y687 M691	M578-F618 HydrophobicContact CE-CE2 3.92Å; M578-F618 HydrophobicContact CE-CZ 4.23Å; M578-F618 HydrophobicContact SD-CE2 4.39Å; W607-F618 HydrophobicContact CB-CZ 4.39Å; I610-F618 HydrophobicContact CB-CE2 4.37Å; I610-F618 HydrophobicContact CG2-CD2 4.07Å; I610-F618 HydrophobicContact CG2-CE2 3.96Å; C611-F618 HydrophobicContact CB-CB 4.37Å; C611-F618 HydrophobicContact CB-CD1 3.74Å; C611-F618 HydrophobicContact CB-CD2 3.98Å; C611-F618 HydrophobicContact CB-CE1 3.94Å; C611-F618 HydrophobicContact CB-CE2 4.18Å; C611-F618 HydrophobicContact CB-CG 3.77Å; C611-F618 HydrophobicContact CB-CZ 4.15Å; L614-F618 HydrophobicContact CB-CB 4.12Å; L614-F618 HydrophobicContact CD1-CB 4.5Å; L614-F618 HydrophobicContact CD1-CD2 4.09Å; G615-F618 WeakPolarHBondContact O-CB 3.44Å; G615-F618 PolarHBondContact O-N 2.71Å; R616-F618 PolarHBondContact O-N 2.92Å; R616-F618 VanDerWaalsContact O-N 3.17Å; F618-S620 PolarHBondContact O-N 3.26Å; F618-Y621 HydrophobicContact CD2-CD2 4.03Å; F618-Y621 HydrophobicContact CE2-CD2 4.34Å; F618-Y621 HydrophobicContact CG-CD2 4.49Å; F618-Y621 WeakPolarHBondContact O-CB 3.42Å; F618-Y621 PolarHBondContact O-N 3.48Å; F618-L622 HydrophobicContact CD1-CD2 4.3Å; F618-L622 HydrophobicContact CD1-CG 4.47Å; F618-L622 HydrophobicContact CE1-CD2 4.29Å; F618-V625 HydrophobicContact CE1-CG2 3.89Å; F618-V625 HydrophobicContact CZ-CG1 4.4Å; F618-V625 HydrophobicContact CZ-CG2 4.08Å; F618-Y687 HydrophobicContact CD1-CE1 4.28Å; F618-Y687 HydrophobicContact CE1-CD1 4.22Å; F618-Y687 AromaticContact CE1-CE1 3.57Å; F618-Y687 HydrophobicContact CE1-CE1 3.57Å; F618-Y687 HydrophobicContact CZ-CE1 4.12Å; F618-M691 HydrophobicContact CB-CE 4.09Å; F618-M691 HydrophobicContact CB-SD 4.31Å
619	E	90.6	Very high	89.3	Confident	94 Å²	94	43.1 Å²	43.1	44%	0.439	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-51.2	-37.6	-173	-174.5	178	153.5	0	0	113.1	R616 D617 Y621 L622 S694	R616-E619 WeakPolarHBondContact O-CB 3.42Å; R616-E619 PolarHBondContact O-N 3.44Å; R616-E619 VanDerWaalsContact O-N 3.17Å; D617-E619 VanDerWaalsContact C-N 3.26Å; D617-E619 PolarHBondContact O-N 3.36Å; E619-Y621 PolarHBondContact O-N 2.93Å; E619-L622 HydrophobicContact CG-CD1 4.48Å; E619-L622 PolarHBondContact O-N 3.25Å; E619-S694 VanDerWaalsContact OE2-CB 3.25Å; E619-S694 WeakPolarHBondContact OE2-CB 3.43Å; E619-S694 PolarHBondContact OE2-OG 3.48Å
620	S	90.9	Very high	89.4	Confident	87 Å²	87	41.2 Å²	41.2	61%	0.608	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-65.2	-20.2	179.4	56.6	0	0	0	0	114.6	F618	F618-S620 PolarHBondContact O-N 3.26Å
621	Y	91	Very high	89.2	Confident	52 Å²	52	49 Å²	49	20%	0.204	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-92.1	-20	-179.5	-60.6	-73.1	0	0	0	112.9	V574 M578 L614 F618 E619 P623 V624 V625	V574-Y621 HydrophobicContact CG1-CE2 4.45Å; M578-Y621 HydrophobicContact CB-CD1 4.25Å; M578-Y621 HydrophobicContact CB-CE1 3.83Å; M578-Y621 HydrophobicContact CE-CD1 3.73Å; M578-Y621 HydrophobicContact CE-CD2 4.42Å; M578-Y621 HydrophobicContact CE-CE1 4.4Å; M578-Y621 HydrophobicContact CE-CG 3.74Å; M578-Y621 HydrophobicContact CG-CD1 4.3Å; M578-Y621 HydrophobicContact CG-CE1 4.03Å; L614-Y621 HydrophobicContact CD1-CE2 4.3Å; F618-Y621 HydrophobicContact CD2-CD2 4.03Å; F618-Y621 HydrophobicContact CE2-CD2 4.34Å; F618-Y621 HydrophobicContact CG-CD2 4.49Å; F618-Y621 WeakPolarHBondContact O-CB 3.42Å; F618-Y621 PolarHBondContact O-N 3.48Å; E619-Y621 PolarHBondContact O-N 2.93Å; Y621-P623 VanDerWaalsContact C-CD 3.43Å; Y621-V624 PolarHBondContact O-N 3.09Å; Y621-V625 WeakPolarHBondContact O-CG2 3.45Å; Y621-V625 PolarHBondContact O-N 2.97Å; Y621-V625 VanDerWaalsContact O-N 3.16Å
622	L	90.6	Very high	89	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-49.1	-46.2	-178.8	-74.4	173.6	0	0	0	113.9	F618 E619 V624 V625 M626 Y687 M691 F695 Y698	F618-L622 HydrophobicContact CD1-CD2 4.3Å; F618-L622 HydrophobicContact CD1-CG 4.47Å; F618-L622 HydrophobicContact CE1-CD2 4.29Å; E619-L622 HydrophobicContact CG-CD1 4.48Å; E619-L622 PolarHBondContact O-N 3.25Å; L622-V624 PolarHBondContact O-N 2.79Å; L622-V625 PolarHBondContact O-N 2.96Å; L622-M626 HydrophobicContact CB-CG 4.36Å; L622-M626 HydrophobicContact CD2-CG 4.17Å; L622-M626 HydrophobicContact CD2-SD 4.38Å; L622-M626 VanDerWaalsContact O-CB 3.24Å; L622-M626 WeakPolarHBondContact O-CB 3.43Å; L622-M626 WeakPolarHBondContact O-CG 3.4Å; L622-M626 PolarHBondContact O-N 3.07Å; L622-Y687 HydrophobicContact CD2-CD1 4.44Å; L622-Y687 HydrophobicContact CD2-CG 4.33Å; L622-M691 HydrophobicContact CD1-CG 3.91Å; L622-M691 HydrophobicContact CD1-SD 4.04Å; L622-M691 HydrophobicContact CD2-CG 4.35Å; L622-M691 HydrophobicContact CG-SD 4.46Å; L622-F695 HydrophobicContact CD1-CD2 4.36Å; L622-F695 HydrophobicContact CD2-CD2 4.48Å; L622-F695 HydrophobicContact CD2-CE2 4.22Å; L622-Y698 HydrophobicContact CB-CE2 3.97Å; L622-Y698 HydrophobicContact CD1-CE2 4.03Å
623	P	90	Very high	89.1	Confident	82 Å²	82	43.6 Å²	43.6	53%	0.532	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-22.7	-178.7	-24.5	35.9	0	0	0	113.9	Y621 P627 Y698	Y621-P623 VanDerWaalsContact C-CD 3.43Å; P623-P627 WeakPolarHBondContact O-CD 3.12Å; P623-Y698 WeakPolarHBondContact CA-OH 3.38Å
624	V	85.2	Confident	89.1	Confident	61 Å²	61	45.9 Å²	45.9	37%	0.37	24%	0.244	S	C	.	.	H	α-helix	trans	-94.3	-37.8	-177.5	-156	0	0	0	0	111.7	L582 Y621 L622	L582-V624 HydrophobicContact CD1-CB 4.22Å; L582-V624 HydrophobicContact CD1-CG1 3.92Å; L582-V624 HydrophobicContact CD1-CG2 4.42Å; L582-V624 HydrophobicContact CD2-CB 3.77Å; L582-V624 HydrophobicContact CD2-CG1 3.26Å; L582-V624 HydrophobicContact CG-CG1 4.06Å; Y621-V624 PolarHBondContact O-N 3.09Å; L622-V624 PolarHBondContact O-N 2.79Å
625	V	88.3	Confident	88.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-82.4	-36	-179.2	-67.8	0	0	0	0	113.5	M578 L582 W607 F618 Y621 L622 P627 Q628 V629	M578-V625 HydrophobicContact CE-CG1 4.24Å; L582-V625 HydrophobicContact CD2-CG1 4.49Å; W607-V625 HydrophobicContact CB-CG1 4.44Å; W607-V625 HydrophobicContact CD2-CB 4.14Å; W607-V625 HydrophobicContact CD2-CG1 3.47Å; W607-V625 VanDerWaalsContact CD2-CG1 3.47Å; W607-V625 HydrophobicContact CE3-CB 4.1Å; W607-V625 HydrophobicContact CE3-CG1 3.93Å; W607-V625 HydrophobicContact CG-CG1 3.71Å; W607-V625 HydrophobicContact CZ2-CG1 4.24Å; F618-V625 HydrophobicContact CE1-CG2 3.89Å; F618-V625 HydrophobicContact CZ-CG1 4.4Å; F618-V625 HydrophobicContact CZ-CG2 4.08Å; Y621-V625 WeakPolarHBondContact O-CG2 3.45Å; Y621-V625 PolarHBondContact O-N 2.97Å; Y621-V625 VanDerWaalsContact O-N 3.16Å; L622-V625 PolarHBondContact O-N 2.96Å; V625-P627 VanDerWaalsContact C-CD 3.48Å; V625-Q628 PolarHBondContact O-N 3.44Å; V625-V629 PolarHBondContact O-N 3.05Å
626	M	90.7	Very high	88.6	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-56.2	-43.1	-174.4	-76.5	-61.2	-71.7	0	0	114.2	L622 Q628 V629 L630 L684 Y687 F695 Y698 V702	L622-M626 HydrophobicContact CB-CG 4.36Å; L622-M626 HydrophobicContact CD2-CG 4.17Å; L622-M626 HydrophobicContact CD2-SD 4.38Å; L622-M626 VanDerWaalsContact O-CB 3.24Å; L622-M626 WeakPolarHBondContact O-CB 3.43Å; L622-M626 WeakPolarHBondContact O-CG 3.4Å; L622-M626 PolarHBondContact O-N 3.07Å; M626-Q628 VanDerWaalsContact C-N 3.26Å; M626-Q628 PolarHBondContact O-N 3.36Å; M626-V629 PolarHBondContact O-N 3.05Å; M626-L630 HydrophobicContact CB-CD1 4.23Å; M626-L630 HydrophobicContact CE-CD1 4.09Å; M626-L630 HydrophobicContact CE-CD2 4.06Å; M626-L630 HydrophobicContact CE-CG 4.05Å; M626-L630 WeakPolarHBondContact O-CB 3.43Å; M626-L630 WeakPolarHBondContact O-CD1 3.49Å; M626-L630 WeakPolarHBondContact O-CG 3.49Å; M626-L630 PolarHBondContact O-N 2.74Å; M626-L684 HydrophobicContact CE-CD2 3.75Å; M626-L684 HydrophobicContact SD-CD2 4.19Å; M626-Y687 HydrophobicContact SD-CD2 3.9Å; M626-Y687 HydrophobicContact SD-CE2 4.25Å; M626-F695 HydrophobicContact CE-CE2 3.97Å; M626-F695 HydrophobicContact CE-CZ 3.66Å; M626-F695 HydrophobicContact SD-CE2 3.95Å; M626-F695 HydrophobicContact SD-CZ 4.11Å; M626-Y698 HydrophobicContact CB-CD1 4.22Å; M626-Y698 HydrophobicContact CB-CE1 3.85Å; M626-Y698 HydrophobicContact CE-CD1 3.74Å; M626-Y698 HydrophobicContact CE-CE1 4.47Å; M626-Y698 HydrophobicContact CE-CG 3.77Å; M626-Y698 HydrophobicContact CG-CD1 3.96Å; M626-Y698 HydrophobicContact CG-CD2 4.49Å; M626-Y698 HydrophobicContact CG-CE1 3.73Å; M626-Y698 HydrophobicContact CG-CE2 4.3Å; M626-Y698 HydrophobicContact CG-CG 4.33Å; M626-V702 HydrophobicContact CE-CG2 4.03Å
627	P	88.5	Confident	88.2	Confident	71 Å²	71	52.4 Å²	52.4	46%	0.461	28%	0.277	S	S	.	.	H	α-helix	trans	-55.2	-36.8	-178.4	-28.5	36.5	0	0	0	114.9	P623 V625 R631	P623-P627 WeakPolarHBondContact O-CD 3.12Å; V625-P627 VanDerWaalsContact C-CD 3.48Å; P627-R631 WeakPolarHBondContact O-CB 3.34Å; P627-R631 PolarHBondContact O-N 3Å
628	Q	83.3	Confident	87.7	Confident	35 Å²	35	52.7 Å²	52.7	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-79.2	-44.3	178.4	178.4	69.5	12.7	0	0	112.1	W607 V625 M626 L630 R631 S632	W607-Q628 HydrophobicContact CZ3-CG 4.44Å; V625-Q628 PolarHBondContact O-N 3.44Å; M626-Q628 VanDerWaalsContact C-N 3.26Å; M626-Q628 PolarHBondContact O-N 3.36Å; Q628-L630 PolarHBondContact O-N 3.37Å; Q628-R631 WeakPolarHBondContact O-CA 3.39Å; Q628-R631 WeakPolarHBondContact O-CB 3.39Å; Q628-R631 PolarHBondContact O-N 2.97Å; Q628-S632 PolarHBondContact O-N 3.18Å; Q628-S632 PolarHBondContact O-OG 3.29Å
629	V	89.2	Confident	87	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-41.3	179.2	177.5	0	0	0	0	110	W607 V625 M626 R631 S632 A633 A680 M683 L684 Y687	W607-V629 HydrophobicContact CE3-CG2 4.3Å; W607-V629 HydrophobicContact CZ3-CG2 4.46Å; V625-V629 PolarHBondContact O-N 3.05Å; M626-V629 PolarHBondContact O-N 3.05Å; V629-R631 VanDerWaalsContact C-N 3.34Å; V629-R631 PolarHBondContact O-N 3.03Å; V629-S632 PolarHBondContact O-N 2.68Å; V629-A633 VanDerWaalsContact O-CB 3.29Å; V629-A633 WeakPolarHBondContact O-CB 3.49Å; V629-A633 PolarHBondContact O-N 2.89Å; V629-A680 HydrophobicContact CG1-CB 4.34Å; V629-M683 HydrophobicContact CG1-CB 3.9Å; V629-M683 HydrophobicContact CG1-SD 4.25Å; V629-M683 HydrophobicContact CG2-SD 3.62Å; V629-L684 HydrophobicContact CG1-CD1 4.49Å; V629-L684 HydrophobicContact CG1-CD2 3.82Å; V629-L684 HydrophobicContact CG1-CG 3.8Å; V629-Y687 HydrophobicContact CG1-CE2 4.35Å; V629-Y687 HydrophobicContact CG2-CE2 4.13Å
630	L	91.7	Very high	86.2	Confident	12 Å²	12	54.2 Å²	54.2	6%	0.063	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-37	173.5	-66.3	165.9	0	0	0	112.4	M626 Q628 C634 L684 Q701 V702 I705	M626-L630 HydrophobicContact CB-CD1 4.23Å; M626-L630 HydrophobicContact CE-CD1 4.09Å; M626-L630 HydrophobicContact CE-CD2 4.06Å; M626-L630 HydrophobicContact CE-CG 4.05Å; M626-L630 WeakPolarHBondContact O-CB 3.43Å; M626-L630 WeakPolarHBondContact O-CD1 3.49Å; M626-L630 WeakPolarHBondContact O-CG 3.49Å; M626-L630 PolarHBondContact O-N 2.74Å; Q628-L630 PolarHBondContact O-N 3.37Å; L630-C634 WeakPolarHBondContact O-CB 3.43Å; L630-C634 PolarHBondContact O-N 3.19Å; L630-C634 VanDerWaalsContact O-N 3.12Å; L630-C634 PolarHBondContact O-SG 2.87Å; L630-L684 HydrophobicContact CD2-CD2 4.28Å; L630-Q701 HydrophobicContact CD2-CG 4.29Å; L630-V702 HydrophobicContact CD2-CG2 4.04Å; L630-I705 HydrophobicContact CD2-CD1 3.52Å
631	R	87.9	Confident	85.3	Confident	163 Å²	163	52.8 Å²	52.8	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-64.6	-50.7	176	-173.4	-173.6	-60.8	149.6	-0.7	111.1	P627 Q628 V629 C634 V635	P627-R631 WeakPolarHBondContact O-CB 3.34Å; P627-R631 PolarHBondContact O-N 3Å; Q628-R631 WeakPolarHBondContact O-CA 3.39Å; Q628-R631 WeakPolarHBondContact O-CB 3.39Å; Q628-R631 PolarHBondContact O-N 2.97Å; V629-R631 VanDerWaalsContact C-N 3.34Å; V629-R631 PolarHBondContact O-N 3.03Å; R631-C634 CarbonylContact O-C 3.58Å; R631-C634 PolarHBondContact O-N 3.28Å; R631-C634 VanDerWaalsContact O-N 3.07Å; R631-V635 PolarHBondContact O-N 2.67Å
632	S	86.9	Confident	84.4	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-42.9	178.2	-63.9	0	0	0	0	111.7	Q628 V629 C634 V635	Q628-S632 PolarHBondContact O-N 3.18Å; Q628-S632 PolarHBondContact O-OG 3.29Å; V629-S632 PolarHBondContact O-N 2.68Å; S632-C634 PolarHBondContact O-N 2.76Å; S632-V635 WeakPolarHBondContact O-CB 3.49Å; S632-V635 WeakPolarHBondContact O-CG2 3.48Å; S632-V635 PolarHBondContact O-N 3.31Å; S632-V635 VanDerWaalsContact O-N 3.15Å
633	A	90.4	Very high	83.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-23.3	175	0	0	0	0	0	113.3	V629 K677 A680 L684 I705	V629-A633 VanDerWaalsContact O-CB 3.29Å; V629-A633 WeakPolarHBondContact O-CB 3.49Å; V629-A633 PolarHBondContact O-N 2.89Å; A633-K677 PolarHBondContact O-NZ 3.21Å; A633-A680 HydrophobicContact CB-CB 4.16Å; A633-L684 HydrophobicContact CB-CD1 3.84Å; A633-I705 HydrophobicContact CB-CG2 4.17Å
634	C	90.4	Very high	82.2	Confident	68 Å²	68	50.2 Å²	50.2	46%	0.459	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.7	177.2	-73.6	0	0	0	0	114.7	L630 R631 S632 K636 I705	L630-C634 WeakPolarHBondContact O-CB 3.43Å; L630-C634 PolarHBondContact O-N 3.19Å; L630-C634 VanDerWaalsContact O-N 3.12Å; L630-C634 PolarHBondContact O-SG 2.87Å; R631-C634 CarbonylContact O-C 3.58Å; R631-C634 PolarHBondContact O-N 3.28Å; R631-C634 VanDerWaalsContact O-N 3.07Å; S632-C634 PolarHBondContact O-N 2.76Å; C634-K636 PolarHBondContact O-N 3.27Å; C634-I705 VanDerWaalsContact SG-CD1 3.56Å
635	V	84.9	Confident	81.3	Confident	60 Å²	60	53.3 Å²	53.3	36%	0.364	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-55.7	130.7	174.9	172.9	0	0	0	0	108.8	R631 S632 K677	R631-V635 PolarHBondContact O-N 2.67Å; S632-V635 WeakPolarHBondContact O-CB 3.49Å; S632-V635 WeakPolarHBondContact O-CG2 3.48Å; S632-V635 PolarHBondContact O-N 3.31Å; S632-V635 VanDerWaalsContact O-N 3.15Å; V635-K677 PolarHBondContact O-NZ 3.46Å
636	K	82.6	Confident	80.5	Confident	183 Å²	183	56.2 Å²	56.2	80%	0.796	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-99.1	126.6	174.6	-68.3	-174.5	178.2	-175.4	0	107	C634 E638	C634-K636 PolarHBondContact O-N 3.27Å; K636-E638 PolarHBondContact O-N 2.69Å
637	P	79.9	Confident	79.4	Confident	24 Å²	24	56.3 Å²	56.3	16%	0.156	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-61.2	140.6	174.5	25.7	-32.3	0	0	0	109.5	I639 I669 L674 F712 F714	P637-I639 HydrophobicContact CB-CG1 4.47Å; P637-I639 HydrophobicContact CG-CD1 4.38Å; P637-I639 HydrophobicContact CG-CG1 4.39Å; P637-I639 PolarHBondContact O-N 3.06Å; P637-I669 HydrophobicContact CB-CG2 4.16Å; P637-L674 HydrophobicContact CB-CD2 4.05Å; P637-L674 HydrophobicContact CG-CD2 4.47Å; P637-F712 HydrophobicContact CG-CE2 3.85Å; P637-F712 HydrophobicContact CG-CZ 3.86Å; P637-F714 HydrophobicContact CG-CD2 4.02Å; P637-F714 HydrophobicContact CG-CE2 4.18Å
638	E	77.6	Confident	78.6	Confident	102 Å²	102	56.7 Å²	56.7	48%	0.477	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-73.2	124.9	165.8	-66.3	-168.8	152.5	0	0	108	K636 W656 R670	K636-E638 PolarHBondContact O-N 2.69Å; E638-W656 HydrophobicContact CB-CH2 3.87Å; E638-R670 HydrophobicContact CB-CB 4.13Å; E638-R670 PolarHBondContact O-N 3.16Å
639	I	76.1	Confident	78	Confident	70 Å²	70	61 Å²	61	36%	0.359	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128	-179.3	-56.3	169.3	0	0	0	107.4	P637 Y667 A668 F714	P637-I639 HydrophobicContact CB-CG1 4.47Å; P637-I639 HydrophobicContact CG-CD1 4.38Å; P637-I639 HydrophobicContact CG-CG1 4.39Å; P637-I639 PolarHBondContact O-N 3.06Å; I639-Y667 HydrophobicContact CG2-CD1 3.51Å; I639-Y667 HydrophobicContact CG2-CE1 3.8Å; I639-A668 WeakPolarHBondContact CA-O 3.43Å; I639-F714 HydrophobicContact CD1-CE1 4.17Å; I639-F714 HydrophobicContact CD1-CE2 3.87Å; I639-F714 HydrophobicContact CD1-CZ 3.41Å; I639-F714 VanDerWaalsContact CD1-CZ 3.41Å; I639-F714 HydrophobicContact CG1-CZ 4.38Å
640	C	74.7	Confident	77.2	Confident	56 Å²	56	62.8 Å²	62.8	38%	0.378	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.8	175.1	-73.3	0	0	0	0	109.7	L642 W656 A668	C640-L642 HydrophobicContact CB-CD2 3.97Å; C640-L642 HydrophobicContact CB-CG 4.38Å; C640-W656 HydrophobicContact CB-CZ3 4.41Å; C640-A668 HydrophobicContact CB-CB 4.42Å; C640-A668 PolarHBondContact N-O 3.43Å; C640-A668 PolarHBondContact O-N 2.97Å
641	I	72.2	Confident	76	Confident	56 Å²	56	67.4 Å²	67.4	29%	0.287	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115	171.7	-56	175.6	0	0	0	106.9	N666 Y667	I641-N666 CarbonylContact C-O 3.46Å; I641-N666 WeakPolarHBondContact CA-O 3.2Å; I641-Y667 HydrophobicContact CD1-CE1 4.5Å; I641-Y667 HydrophobicContact CD1-CE2 4Å; I641-Y667 HydrophobicContact CG1-CD2 4.32Å; I641-Y667 HydrophobicContact CG1-CE1 4.23Å; I641-Y667 HydrophobicContact CG1-CE2 3.88Å
642	L	71.4	Confident	75.1	Confident	19 Å²	19	64.5 Å²	64.5	10%	0.099	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	155.7	-174.7	-53	-179.4	0	0	0	110.1	C640 E646 A647 V650 N666 A668	C640-L642 HydrophobicContact CB-CD2 3.97Å; C640-L642 HydrophobicContact CB-CG 4.38Å; L642-E646 HydrophobicContact CB-CB 3.87Å; L642-E646 HydrophobicContact CD2-CB 4.09Å; L642-E646 HydrophobicContact CG-CB 4.38Å; L642-A647 HydrophobicContact CB-CB 4.4Å; L642-V650 HydrophobicContact CD1-CB 3.73Å; L642-V650 HydrophobicContact CD1-CG1 4.08Å; L642-V650 HydrophobicContact CD1-CG2 3.59Å; L642-N666 HydrophobicContact CB-CB 4.22Å; L642-N666 PolarHBondContact N-O 2.92Å; L642-N666 PolarHBondContact O-N 2.9Å; L642-A668 HydrophobicContact CD1-CB 3.44Å; L642-A668 VanDerWaalsContact CD1-CB 3.44Å; L642-A668 HydrophobicContact CG-CB 4.04Å
643	D	68.6	Low	74.3	Confident	23 Å²	23	67.5 Å²	67.5	12%	0.123	36%	0.363	C	S	.	.			trans	-82.4	-178.2	156.7	40.4	48	0	0	0	110.9	R63 E646 A647 N666	R63-D643 IonicContact NH2-OD2 3.14Å; R63-D643 PolarHBondContact NH2-OD2 3.43Å; R63-D643 VanDerWaalsContact NH2-OD2 3.15Å; D643-E646 WeakPolarHBondContact OD1-CB 3.4Å; D643-E646 VanDerWaalsContact OD1-CG 3.25Å; D643-E646 WeakPolarHBondContact OD1-CG 3.41Å; D643-E646 PolarHBondContact OD1-N 2.89Å; D643-A647 WeakPolarHBondContact O-CB 3.49Å; D643-A647 PolarHBondContact O-N 3.19Å; D643-N666 VanDerWaalsContact C-ND2 3.3Å; D643-N666 PolarHBondContact O-ND2 3.08Å; D643-N666 VanDerWaalsContact O-ND2 3.11Å
644	N	65.5	Low	73.3	Confident	42 Å²	42	73.7 Å²	73.7	23%	0.225	40%	0.401	C	S	.	.	H	α-helix	trans	-63.6	-41.4	179.9	-62.8	-24.4	0	0	0	112.3	A647 D648 E663 N666	N644-A647 PolarHBondContact O-N 3.01Å; N644-D648 PolarHBondContact O-N 3.44Å; N644-E663 VanDerWaalsContact CG-O 3.3Å; N644-E663 PolarHBondContact ND2-O 3.28Å; N644-E663 PolarHBondContact OD1-O 3.09Å; N644-E663 VanDerWaalsContact OD1-O 3.1Å; N644-N666 WeakPolarHBondContact CA-ND2 3.45Å; N644-N666 PolarHBondContact N-ND2 3.22Å; N644-N666 PolarHBondContact OD1-ND2 3.22Å
645	D	66.2	Low	72.5	Confident	126 Å²	126	73.1 Å²	73.1	67%	0.674	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-43.4	179.8	-59.7	-16.4	0	0	0	110.5	A647	D645-A647 VanDerWaalsContact C-N 3.34Å
646	E	71	Confident	72.2	Confident	61 Å²	61	72.5 Å²	72.5	29%	0.285	38%	0.384	S	S	.	.	H	α-helix	trans	-70.3	-28.4	175.3	-72.5	176	167.6	0	0	112.8	R64 L642 D643 V650	R64-E646 VanDerWaalsContact NH2-CD 3.28Å; R64-E646 IonicContact NH2-OE1 3.77Å; R64-E646 PolarHBondContact NH2-OE1 3.13Å; R64-E646 IonicContact NH2-OE2 3.38Å; R64-E646 PolarHBondContact NH2-OE2 3Å; L642-E646 HydrophobicContact CB-CB 3.87Å; L642-E646 HydrophobicContact CD2-CB 4.09Å; L642-E646 HydrophobicContact CG-CB 4.38Å; D643-E646 WeakPolarHBondContact OD1-CB 3.4Å; D643-E646 VanDerWaalsContact OD1-CG 3.25Å; D643-E646 WeakPolarHBondContact OD1-CG 3.41Å; D643-E646 PolarHBondContact OD1-N 2.89Å; E646-V650 WeakPolarHBondContact O-CG2 3.37Å; E646-V650 PolarHBondContact O-N 3.45Å
647	A	69.4	Low	71.9	Confident	2 Å²	2	69.4 Å²	69.4	2%	0.017	37%	0.373	C	S	.	.	H	α-helix	trans	-70.5	-46.3	179	0	0	0	0	0	112.5	L642 D643 N644 D645 D649 V650 E651 V658 N666	L642-A647 HydrophobicContact CB-CB 4.4Å; D643-A647 WeakPolarHBondContact O-CB 3.49Å; D643-A647 PolarHBondContact O-N 3.19Å; N644-A647 PolarHBondContact O-N 3.01Å; D645-A647 VanDerWaalsContact C-N 3.34Å; A647-D649 PolarHBondContact O-N 2.83Å; A647-V650 PolarHBondContact O-N 3.3Å; A647-E651 WeakPolarHBondContact O-CB 3.03Å; A647-E651 PolarHBondContact O-N 3.46Å; A647-V658 HydrophobicContact CB-CG1 3.91Å; A647-N666 HydrophobicContact CB-CB 3.79Å; A647-N666 WeakPolarHBondContact CB-ND2 3.45Å
648	D	69.9	Low	71.8	Confident	80 Å²	80	69.2 Å²	69.2	43%	0.428	37%	0.371	S	S	.	.	H	α-helix	trans	-57.8	-36.3	178.5	-72.2	2.9	0	0	0	110.8	K236 N644	K236-D648 IonicContact NZ-OD2 3.37Å; K236-D648 PolarHBondContact NZ-OD2 3.4Å; N644-D648 PolarHBondContact O-N 3.44Å
649	D	71	Confident	71.7	Confident	126 Å²	126	67.6 Å²	67.6	67%	0.674	37%	0.368	S	S	*	.	H	α-helix	trans	-67.6	-38.7	175.5	-78.4	-21	0	0	0	112.4	A647 S652	A647-D649 PolarHBondContact O-N 2.83Å; D649-S652 PolarHBondContact O-OG 3.26Å
650	V	71.9	Confident	71.3	Confident	36 Å²	36	70.2 Å²	70.2	22%	0.218	38%	0.377	C	S	.	.	H	α-helix	trans	-82	-31.5	-176.7	172.6	0	0	0	0	112.3	L642 E646 A647 S652 D653 W656 V658 A668	L642-V650 HydrophobicContact CD1-CB 3.73Å; L642-V650 HydrophobicContact CD1-CG1 4.08Å; L642-V650 HydrophobicContact CD1-CG2 3.59Å; E646-V650 WeakPolarHBondContact O-CG2 3.37Å; E646-V650 PolarHBondContact O-N 3.45Å; A647-V650 PolarHBondContact O-N 3.3Å; V650-S652 PolarHBondContact O-N 2.93Å; V650-D653 WeakPolarHBondContact O-CB 3.13Å; V650-D653 PolarHBondContact O-N 3.48Å; V650-W656 HydrophobicContact CG1-CB 3.54Å; V650-W656 HydrophobicContact CG1-CD2 3.87Å; V650-W656 HydrophobicContact CG1-CE3 4.12Å; V650-W656 HydrophobicContact CG1-CG 3.64Å; V650-V658 HydrophobicContact CG1-CG2 4.42Å; V650-A668 HydrophobicContact CG1-CB 3.9Å
651	E	68.3	Low	70.9	Confident	110 Å²	110	72.2 Å²	72.2	51%	0.514	38%	0.383	S	S	.	.	H	α-helix	trans	-65	-18.4	178	-162.7	167.5	-156.2	0	0	112.3	A647 D653 V658	A647-E651 WeakPolarHBondContact O-CB 3.03Å; A647-E651 PolarHBondContact O-N 3.46Å; E651-D653 VanDerWaalsContact C-N 3.27Å; E651-D653 PolarHBondContact O-N 3.37Å; E651-V658 HydrophobicContact CB-CG2 4.06Å; E651-V658 HydrophobicContact CG-CG2 4.46Å
652	S	67.9	Low	70.3	Confident	101 Å²	101	72 Å²	72	71%	0.706	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.1	171.7	73.5	0	0	0	0	114.6	D649 V650	D649-S652 PolarHBondContact O-OG 3.26Å; V650-S652 PolarHBondContact O-N 2.93Å
653	D	71	Confident	69.6	Low	72 Å²	72	72.6 Å²	72.6	39%	0.385	40%	0.397	S	S	.	.	S	Bend	trans	-93.2	117.7	175.5	-169.4	-17.5	0	0	0	109.9	V650 E651 D655 W656	V650-D653 WeakPolarHBondContact O-CB 3.13Å; V650-D653 PolarHBondContact O-N 3.48Å; E651-D653 VanDerWaalsContact C-N 3.27Å; E651-D653 PolarHBondContact O-N 3.37Å; D653-D655 PolarHBondContact O-N 3.39Å; D653-D655 VanDerWaalsContact O-N 3.07Å; D653-D655 PolarHBondContact OD1-N 3.44Å; D653-D655 VanDerWaalsContact OD1-N 3.15Å; D653-W656 PolarHBondContact O-N 3.47Å
654	V	68.7	Low	69.3	Low	131 Å²	131	72.3 Å²	72.3	79%	0.794	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.9	-177.3	-141.6	0	0	0	0	112.9	W656	V654-W656 VanDerWaalsContact C-N 3.26Å; V654-W656 PolarHBondContact O-N 3.26Å
655	D	73.1	Confident	69.4	Low	56 Å²	56	72.7 Å²	72.7	30%	0.299	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.9	177.3	-79	-4.7	0	0	0	113.2	D653 R670 T671	D653-D655 PolarHBondContact O-N 3.39Å; D653-D655 VanDerWaalsContact O-N 3.07Å; D653-D655 PolarHBondContact OD1-N 3.44Å; D653-D655 VanDerWaalsContact OD1-N 3.15Å; D655-R670 HydrophobicContact CB-CG 4.32Å; D655-R670 CarbonylContact O-C 3.59Å; D655-R670 VanDerWaalsContact O-CA 3.28Å; D655-R670 WeakPolarHBondContact O-CA 3.48Å; D655-R670 WeakPolarHBondContact O-CG 3.39Å; D655-R670 IonicContact OD2-CZ 3.49Å; D655-R670 IonicContact OD2-NE 3.16Å; D655-R670 IonicContact OD2-NH2 2.65Å; D655-R670 PolarHBondContact OD2-NH2 3.31Å; D655-R670 VanDerWaalsContact OD2-NH2 3.16Å; D655-T671 PolarHBondContact O-N 3.17Å; D655-T671 PolarHBondContact O-OG1 3.32Å
656	W	78.4	Confident	69.8	Low	47 Å²	47	66.8 Å²	66.8	18%	0.178	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136	-175.8	-70.7	85	0	0	0	111.8	E638 C640 V650 D653 V654 A668 I669 R670	E638-W656 HydrophobicContact CB-CH2 3.87Å; C640-W656 HydrophobicContact CB-CZ3 4.41Å; V650-W656 HydrophobicContact CG1-CB 3.54Å; V650-W656 HydrophobicContact CG1-CD2 3.87Å; V650-W656 HydrophobicContact CG1-CE3 4.12Å; V650-W656 HydrophobicContact CG1-CG 3.64Å; D653-W656 PolarHBondContact O-N 3.47Å; V654-W656 VanDerWaalsContact C-N 3.26Å; V654-W656 PolarHBondContact O-N 3.26Å; W656-A668 HydrophobicContact CE3-CB 3.72Å; W656-A668 HydrophobicContact CZ3-CB 4.07Å; W656-I669 WeakPolarHBondContact CA-O 3.42Å; W656-I669 VanDerWaalsContact CE3-C 3.44Å; W656-R670 HydrophobicContact CD2-CB 4.02Å; W656-R670 HydrophobicContact CD2-CG 4.2Å; W656-R670 HydrophobicContact CE3-CB 4.05Å; W656-R670 VanDerWaalsContact CE3-N 3.34Å; W656-R670 HydrophobicContact CH2-CB 3.94Å; W656-R670 HydrophobicContact CZ2-CB 3.88Å; W656-R670 HydrophobicContact CZ2-CG 4.07Å; W656-R670 HydrophobicContact CZ3-CB 4.02Å
657	Q	77.9	Confident	70.1	Confident	118 Å²	118	67.7 Å²	67.7	55%	0.551	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.7	170.6	-169	177.2	16.4	0	0	109.6	A668 I669 T671	Q657-A668 CarbonylContact O-C 3.54Å; Q657-A668 WeakPolarHBondContact O-CA 3.43Å; Q657-I669 PolarHBondContact N-O 3.42Å; Q657-I669 PolarHBondContact O-N 2.89Å; Q657-T671 HydrophobicContact CB-CG2 3.61Å
658	V	77.8	Confident	70.6	Confident	20 Å²	20	67.6 Å²	67.6	12%	0.121	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.3	-179.4	-175.6	0	0	0	0	110.3	A647 V650 E651 N666 Y667 A668	A647-V658 HydrophobicContact CB-CG1 3.91Å; V650-V658 HydrophobicContact CG1-CG2 4.42Å; E651-V658 HydrophobicContact CB-CG2 4.06Å; E651-V658 HydrophobicContact CG-CG2 4.46Å; V658-N666 HydrophobicContact CG1-CB 3.56Å; V658-Y667 CarbonylContact C-O 3.54Å; V658-Y667 WeakPolarHBondContact CA-O 3.17Å; V658-A668 HydrophobicContact CG2-CB 4.18Å
659	V	73.8	Confident	71.2	Confident	67 Å²	67	64.4 Å²	64.4	41%	0.406	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.8	174.7	-177.1	0	0	0	0	109.3	L661 N666 Y667 I669	V659-L661 PolarHBondContact O-N 2.7Å; V659-N666 CarbonylContact O-C 3.59Å; V659-Y667 PolarHBondContact N-O 3.42Å; V659-Y667 PolarHBondContact O-N 3.46Å; V659-I669 HydrophobicContact CG2-CD1 4.27Å
660	K	68.1	Low	71.7	Confident	125 Å²	125	61 Å²	61	54%	0.543	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.7	178.3	-61	-176	177.1	169.9	0	110.9	D240 N666	D240-K660 IonicContact OD1-NZ 3.53Å; K660-N666 WeakPolarHBondContact CG-OD1 3.07Å
661	L	66.6	Low	72	Confident	98 Å²	98	61.2 Å²	61.2	51%	0.513	33%	0.325	S	S	.	.			trans	-106	72.3	171.1	-72.8	-176.8	0	0	0	110	V659 R665 Y667	V659-L661 PolarHBondContact O-N 2.7Å; L661-R665 CarbonylContact C-O 3.53Å; L661-R665 WeakPolarHBondContact CA-O 3.39Å; L661-R665 HydrophobicContact CB-CB 4.37Å; L661-R665 PolarHBondContact N-O 3.03Å; L661-Y667 HydrophobicContact CD1-CD2 3.1Å; L661-Y667 HydrophobicContact CD1-CE2 3.13Å; L661-Y667 HydrophobicContact CD1-CG 4.03Å; L661-Y667 HydrophobicContact CG-CD2 3.91Å; L661-Y667 HydrophobicContact CG-CE2 4.35Å
662	G	60.7	Low	72.2	Confident	52 Å²	52	57.4 Å²	57.4	54%	0.536	31%	0.311	S	S	.	.	S	Bend	trans	78.2	-169.9	-172.5	0	0	0	0	0	112.5	D664	G662-D664 PolarHBondContact O-N 3.49Å
663	E	55.1	Low	72.6	Confident	32 Å²	32	53.7 Å²	53.7	15%	0.15	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.9	-165	-78.4	-150.9	149.8	0	0	116.7	G152 S153 R191 A195 N644	G152-E663 WeakPolarHBondContact CA-OE2 3.24Å; S153-E663 PolarHBondContact N-OE2 3.18Å; R191-E663 VanDerWaalsContact CG-OE1 3.22Å; R191-E663 WeakPolarHBondContact CG-OE1 3.45Å; A195-E663 WeakPolarHBondContact CA-OE1 3.44Å; A195-E663 HydrophobicContact CB-CG 3.69Å; A195-E663 WeakPolarHBondContact CB-OE1 3.31Å; A195-E663 WeakPolarHBondContact CB-OE2 3.41Å; A195-E663 PolarHBondContact N-OE1 3.23Å; N644-E663 VanDerWaalsContact CG-O 3.3Å; N644-E663 PolarHBondContact ND2-O 3.28Å; N644-E663 PolarHBondContact OD1-O 3.09Å; N644-E663 VanDerWaalsContact OD1-O 3.1Å
664	D	63.2	Low	73.3	Confident	16 Å²	16	51 Å²	51	9%	0.086	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	17.4	-171.2	-65.8	-46.8	0	0	0	113.8	R63 S153 G662	R63-D664 PolarHBondContact NH1-O 3.05Å; S153-D664 WeakPolarHBondContact CB-OD2 3.36Å; S153-D664 PolarHBondContact OG-OD2 3.13Å; G662-D664 PolarHBondContact O-N 3.49Å
665	R	67.3	Low	73.9	Confident	51 Å²	51	51.9 Å²	51.9	19%	0.192	27%	0.269	C	S	.	.			trans	-135	119	178.9	-65.7	-176.3	-178.2	-170	3.6	109.6	E111 L661	E111-R665 IonicContact OE1-CZ 3.04Å; E111-R665 IonicContact OE1-NH2 3.26Å; E111-R665 PolarHBondContact OE1-NH2 2.93Å; E111-R665 IonicContact OE2-CZ 3.59Å; E111-R665 IonicContact OE2-NE 4Å; E111-R665 PolarHBondContact OE2-NE 3.06Å; E111-R665 IonicContact OE2-NH2 3.94Å; E111-R665 PolarHBondContact OE2-NH2 3.04Å; L661-R665 CarbonylContact C-O 3.53Å; L661-R665 WeakPolarHBondContact CA-O 3.39Å; L661-R665 HydrophobicContact CB-CB 4.37Å; L661-R665 PolarHBondContact N-O 3.03Å
666	N	73.9	Confident	74.3	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.011	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129	179.7	-64.2	-39	0	0	0	108.2	I641 L642 D643 N644 A647 V658 V659 K660	I641-N666 CarbonylContact C-O 3.46Å; I641-N666 WeakPolarHBondContact CA-O 3.2Å; L642-N666 HydrophobicContact CB-CB 4.22Å; L642-N666 PolarHBondContact N-O 2.92Å; L642-N666 PolarHBondContact O-N 2.9Å; D643-N666 VanDerWaalsContact C-ND2 3.3Å; D643-N666 PolarHBondContact O-ND2 3.08Å; D643-N666 VanDerWaalsContact O-ND2 3.11Å; N644-N666 WeakPolarHBondContact CA-ND2 3.45Å; N644-N666 PolarHBondContact N-ND2 3.22Å; N644-N666 PolarHBondContact OD1-ND2 3.22Å; A647-N666 HydrophobicContact CB-CB 3.79Å; A647-N666 WeakPolarHBondContact CB-ND2 3.45Å; V658-N666 HydrophobicContact CG1-CB 3.56Å; V659-N666 CarbonylContact O-C 3.59Å; K660-N666 WeakPolarHBondContact CG-OD1 3.07Å
667	Y	78.9	Confident	74.8	Confident	79 Å²	79	49.3 Å²	49.3	31%	0.31	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	105	169.9	-94	-109.8	0	0	0	108	I639 I641 V658 V659 L661	I639-Y667 HydrophobicContact CG2-CD1 3.51Å; I639-Y667 HydrophobicContact CG2-CE1 3.8Å; I641-Y667 HydrophobicContact CD1-CE1 4.5Å; I641-Y667 HydrophobicContact CD1-CE2 4Å; I641-Y667 HydrophobicContact CG1-CD2 4.32Å; I641-Y667 HydrophobicContact CG1-CE1 4.23Å; I641-Y667 HydrophobicContact CG1-CE2 3.88Å; V658-Y667 CarbonylContact C-O 3.54Å; V658-Y667 WeakPolarHBondContact CA-O 3.17Å; V659-Y667 PolarHBondContact N-O 3.42Å; V659-Y667 PolarHBondContact O-N 3.46Å; L661-Y667 HydrophobicContact CD1-CD2 3.1Å; L661-Y667 HydrophobicContact CD1-CE2 3.13Å; L661-Y667 HydrophobicContact CD1-CG 4.03Å; L661-Y667 HydrophobicContact CG-CD2 3.91Å; L661-Y667 HydrophobicContact CG-CE2 4.35Å
668	A	79.7	Confident	75.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.2	167.5	0	0	0	0	0	108.9	I639 C640 L642 V650 W656 Q657 V658	I639-A668 WeakPolarHBondContact CA-O 3.43Å; C640-A668 HydrophobicContact CB-CB 4.42Å; C640-A668 PolarHBondContact N-O 3.43Å; C640-A668 PolarHBondContact O-N 2.97Å; L642-A668 HydrophobicContact CD1-CB 3.44Å; L642-A668 VanDerWaalsContact CD1-CB 3.44Å; L642-A668 HydrophobicContact CG-CB 4.04Å; V650-A668 HydrophobicContact CG1-CB 3.9Å; W656-A668 HydrophobicContact CE3-CB 3.72Å; W656-A668 HydrophobicContact CZ3-CB 4.07Å; Q657-A668 CarbonylContact O-C 3.54Å; Q657-A668 WeakPolarHBondContact O-CA 3.43Å; V658-A668 HydrophobicContact CG2-CB 4.18Å
669	I	81.7	Confident	75.9	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.072	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.4	178	-60.9	151.6	0	0	0	107	P637 W656 Q657 V659 T671 L674 F714	P637-I669 HydrophobicContact CB-CG2 4.16Å; W656-I669 WeakPolarHBondContact CA-O 3.42Å; W656-I669 VanDerWaalsContact CE3-C 3.44Å; Q657-I669 PolarHBondContact N-O 3.42Å; Q657-I669 PolarHBondContact O-N 2.89Å; V659-I669 HydrophobicContact CG2-CD1 4.27Å; I669-T671 PolarHBondContact O-N 3.29Å; I669-L674 HydrophobicContact CG2-CD1 4.24Å; I669-F714 HydrophobicContact CD1-CD1 3.46Å; I669-F714 VanDerWaalsContact CD1-CD1 3.46Å; I669-F714 HydrophobicContact CD1-CE1 3.68Å; I669-F714 HydrophobicContact CG1-CD1 4.12Å; I669-F714 HydrophobicContact CG1-CE1 4.11Å; I669-F714 HydrophobicContact CG2-CD1 4.48Å
670	R	81.2	Confident	76.7	Confident	53 Å²	53	41.4 Å²	41.4	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	110.3	170.8	-158.3	173.8	-175.9	-155.5	-15.1	108.4	D596 E638 D655 W656 S672	D596-R670 IonicContact OD1-NH2 2.62Å; D596-R670 IonicContact OD2-CZ 3.87Å; D596-R670 IonicContact OD2-NH2 2.75Å; D596-R670 PolarHBondContact OD2-NH2 3.41Å; E638-R670 HydrophobicContact CB-CB 4.13Å; E638-R670 PolarHBondContact O-N 3.16Å; D655-R670 HydrophobicContact CB-CG 4.32Å; D655-R670 CarbonylContact O-C 3.59Å; D655-R670 VanDerWaalsContact O-CA 3.28Å; D655-R670 WeakPolarHBondContact O-CA 3.48Å; D655-R670 WeakPolarHBondContact O-CG 3.39Å; D655-R670 IonicContact OD2-CZ 3.49Å; D655-R670 IonicContact OD2-NE 3.16Å; D655-R670 IonicContact OD2-NH2 2.65Å; D655-R670 PolarHBondContact OD2-NH2 3.31Å; D655-R670 VanDerWaalsContact OD2-NH2 3.16Å; W656-R670 HydrophobicContact CD2-CB 4.02Å; W656-R670 HydrophobicContact CD2-CG 4.2Å; W656-R670 HydrophobicContact CE3-CB 4.05Å; W656-R670 VanDerWaalsContact CE3-N 3.34Å; W656-R670 HydrophobicContact CH2-CB 3.94Å; W656-R670 HydrophobicContact CZ2-CB 3.88Å; W656-R670 HydrophobicContact CZ2-CG 4.07Å; W656-R670 HydrophobicContact CZ3-CB 4.02Å; R670-S672 VanDerWaalsContact C-N 3.3Å; R670-S672 WeakPolarHBondContact CD-OG 3.41Å; R670-S672 WeakPolarHBondContact CG-OG 3.48Å; R670-S672 PolarHBondContact NE-OG 3.39Å; R670-S672 PolarHBondContact NH2-OG 3.37Å
671	T	79.1	Confident	78	Confident	41 Å²	41	35.4 Å²	35.4	25%	0.252	19%	0.193	S	C	.	.			trans	-75.9	-23.7	179.4	56.4	0	0	0	0	111.2	D655 Q657 I669 G673 L674	D655-T671 PolarHBondContact O-N 3.17Å; D655-T671 PolarHBondContact O-OG1 3.32Å; Q657-T671 HydrophobicContact CB-CG2 3.61Å; I669-T671 PolarHBondContact O-N 3.29Å; T671-G673 PolarHBondContact O-N 3.3Å; T671-L674 WeakPolarHBondContact O-CB 3.39Å; T671-L674 PolarHBondContact O-N 3.29Å
672	S	72.2	Confident	79.3	Confident	31 Å²	31	35 Å²	35	22%	0.217	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	123.1	174.1	79.9	0	0	0	0	110.8	R670	R670-S672 VanDerWaalsContact C-N 3.3Å; R670-S672 WeakPolarHBondContact CD-OG 3.41Å; R670-S672 WeakPolarHBondContact CG-OG 3.48Å; R670-S672 PolarHBondContact NE-OG 3.39Å; R670-S672 PolarHBondContact NH2-OG 3.37Å
673	G	77.1	Confident	80.8	Confident	23 Å²	23	32.6 Å²	32.6	24%	0.237	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-9.2	-175.1	0	0	0	0	0	116	T671 D676 K677	T671-G673 PolarHBondContact O-N 3.3Å; G673-D676 PolarHBondContact O-N 3.24Å; G673-K677 WeakPolarHBondContact O-CB 3.35Å; G673-K677 PolarHBondContact O-N 3.5Å
674	L	83.9	Confident	82.7	Confident	14 Å²	14	31.1 Å²	31.1	7%	0.073	16%	0.156	C	C	.	.	H	α-helix	trans	-67.2	-41.7	170.4	-69.3	-173.9	0	0	0	111.3	P637 I669 T671 D676 K677 A678 F712 F714	P637-L674 HydrophobicContact CB-CD2 4.05Å; P637-L674 HydrophobicContact CG-CD2 4.47Å; I669-L674 HydrophobicContact CG2-CD1 4.24Å; T671-L674 WeakPolarHBondContact O-CB 3.39Å; T671-L674 PolarHBondContact O-N 3.29Å; L674-D676 VanDerWaalsContact C-N 3.34Å; L674-D676 PolarHBondContact O-N 2.98Å; L674-K677 WeakPolarHBondContact O-CB 3.31Å; L674-K677 PolarHBondContact O-N 2.92Å; L674-A678 PolarHBondContact O-N 2.98Å; L674-F712 HydrophobicContact CD2-CE1 3.84Å; L674-F712 HydrophobicContact CD2-CZ 3.62Å; L674-F714 HydrophobicContact CD1-CB 4.34Å
675	E	82	Confident	84.2	Confident	151 Å²	151	30.3 Å²	30.3	71%	0.706	15%	0.152	S	C	*	.	H	α-helix	trans	-62.4	-41.1	173.1	-66.2	-172.9	171.1	0	0	111.8	K677 A678 T679	E675-K677 VanDerWaalsContact C-N 3.27Å; E675-K677 PolarHBondContact O-N 3.13Å; E675-A678 PolarHBondContact O-N 2.84Å; E675-T679 WeakPolarHBondContact O-CB 3.37Å; E675-T679 PolarHBondContact O-N 2.91Å; E675-T679 PolarHBondContact O-OG1 3.1Å
676	D	81.1	Confident	85.5	Confident	39 Å²	39	28.5 Å²	28.5	21%	0.209	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-38.4	175.3	-79	8.8	0	0	0	111.4	S601 G673 L674 A680	S601-D676 VanDerWaalsContact CB-OD1 3.3Å; S601-D676 WeakPolarHBondContact CB-OD1 3.41Å; G673-D676 PolarHBondContact O-N 3.24Å; L674-D676 VanDerWaalsContact C-N 3.34Å; L674-D676 PolarHBondContact O-N 2.98Å; D676-A680 WeakPolarHBondContact O-CB 3.34Å; D676-A680 PolarHBondContact O-N 3.44Å
677	K	89.8	Confident	86.4	Confident	9 Å²	9	28.4 Å²	28.4	4%	0.039	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-46.7	175.3	-174.7	-170.5	-176.2	70.8	0	111.1	A633 V635 G673 L674 E675 A680 C681 F712 V718	A633-K677 PolarHBondContact O-NZ 3.21Å; V635-K677 PolarHBondContact O-NZ 3.46Å; G673-K677 WeakPolarHBondContact O-CB 3.35Å; G673-K677 PolarHBondContact O-N 3.5Å; L674-K677 WeakPolarHBondContact O-CB 3.31Å; L674-K677 PolarHBondContact O-N 2.92Å; E675-K677 VanDerWaalsContact C-N 3.27Å; E675-K677 PolarHBondContact O-N 3.13Å; K677-A680 PolarHBondContact O-N 3.25Å; K677-C681 PolarHBondContact O-N 3.15Å; K677-C681 PolarHBondContact O-SG 3.49Å; K677-F712 HydrophobicContact CD-CE1 3.88Å; K677-F712 HydrophobicContact CD-CE2 4.4Å; K677-F712 HydrophobicContact CD-CZ 3.79Å; K677-V718 HydrophobicContact CD-CG2 4.19Å; K677-V718 HydrophobicContact CG-CG2 4.15Å
678	A	90.6	Very high	87.2	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-51.1	176	0	0	0	0	0	110.7	L674 E675 A680 C681 Q682 E717 V718	L674-A678 PolarHBondContact O-N 2.98Å; E675-A678 PolarHBondContact O-N 2.84Å; A678-A680 VanDerWaalsContact C-N 3.34Å; A678-A680 PolarHBondContact O-N 3.16Å; A678-C681 WeakPolarHBondContact O-CB 3.27Å; A678-C681 PolarHBondContact O-N 2.59Å; A678-Q682 PolarHBondContact O-N 2.98Å; A678-E717 HydrophobicContact CB-CB 4.1Å; A678-V718 HydrophobicContact CB-CG2 3.85Å
679	T	88.1	Confident	87.9	Confident	37 Å²	37	28.6 Å²	28.6	23%	0.227	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-46.5	176.2	-54.8	0	0	0	0	111.4	I604 S605 E675 C681 Q682 M683	I604-T679 HydrophobicContact CG2-CG2 3.58Å; S605-T679 VanDerWaalsContact OG-CG2 3.26Å; S605-T679 WeakPolarHBondContact OG-CG2 3.37Å; E675-T679 WeakPolarHBondContact O-CB 3.37Å; E675-T679 PolarHBondContact O-N 2.91Å; E675-T679 PolarHBondContact O-OG1 3.1Å; T679-C681 VanDerWaalsContact C-N 3.32Å; T679-C681 PolarHBondContact O-N 2.84Å; T679-Q682 PolarHBondContact O-N 3.45Å; T679-M683 WeakPolarHBondContact O-CG 3.44Å; T679-M683 PolarHBondContact O-N 3.21Å
680	A	91.4	Very high	88.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.3	-34.4	177.5	0	0	0	0	0	112.7	V629 A633 D676 K677 A678 M683 L684	V629-A680 HydrophobicContact CG1-CB 4.34Å; A633-A680 HydrophobicContact CB-CB 4.16Å; D676-A680 WeakPolarHBondContact O-CB 3.34Å; D676-A680 PolarHBondContact O-N 3.44Å; K677-A680 PolarHBondContact O-N 3.25Å; A678-A680 VanDerWaalsContact C-N 3.34Å; A678-A680 PolarHBondContact O-N 3.16Å; A680-M683 WeakPolarHBondContact O-CB 3.23Å; A680-M683 PolarHBondContact O-N 2.87Å; A680-L684 WeakPolarHBondContact O-CG 3.44Å; A680-L684 PolarHBondContact O-N 3.07Å
681	C	95.2	Very high	88.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-44.9	174.1	-65.5	0	0	0	0	110.8	K677 A678 T679 M683 L684 V685 M706 A721	K677-C681 PolarHBondContact O-N 3.15Å; K677-C681 PolarHBondContact O-SG 3.49Å; A678-C681 WeakPolarHBondContact O-CB 3.27Å; A678-C681 PolarHBondContact O-N 2.59Å; T679-C681 VanDerWaalsContact C-N 3.32Å; T679-C681 PolarHBondContact O-N 2.84Å; C681-M683 PolarHBondContact O-N 3.44Å; C681-L684 WeakPolarHBondContact O-CB 3.3Å; C681-L684 PolarHBondContact O-N 2.97Å; C681-V685 PolarHBondContact O-N 3.38Å; C681-V685 VanDerWaalsContact O-N 3.08Å; C681-M706 HydrophobicContact CB-CE 4.05Å; C681-M706 HydrophobicContact CB-SD 4.46Å; C681-A721 HydrophobicContact CB-CB 3.76Å
682	Q	93.2	Very high	89.3	Confident	88 Å²	88	29.3 Å²	29.3	41%	0.411	15%	0.148	S	C	.	.	H	α-helix	trans	-63.3	-31.4	176.2	-161.5	59.1	11.2	0	0	112.6	A678 T679 V685 C686 E724	A678-Q682 PolarHBondContact O-N 2.98Å; T679-Q682 PolarHBondContact O-N 3.45Å; Q682-V685 WeakPolarHBondContact O-CB 3.29Å; Q682-V685 PolarHBondContact O-N 3.32Å; Q682-C686 PolarHBondContact O-N 3.02Å; Q682-E724 PolarHBondContact NE2-OE2 2.93Å
683	M	91.2	Very high	90.3	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-45.6	169.7	-68.2	-145.1	84.1	0	0	112.8	I604 W607 A608 V629 T679 A680 C681 V685 C686 Y687	I604-M683 VanDerWaalsContact C-SD 3.5Å; I604-M683 HydrophobicContact CB-SD 3.79Å; I604-M683 HydrophobicContact CG1-SD 4.35Å; I604-M683 HydrophobicContact CG2-CG 3.44Å; I604-M683 VanDerWaalsContact CG2-CG 3.44Å; I604-M683 HydrophobicContact CG2-SD 3.12Å; I604-M683 WeakPolarHBondContact CG2-SD 3.41Å; I604-M683 WeakPolarHBondContact O-CE 3.47Å; W607-M683 HydrophobicContact CB-CE 3.81Å; A608-M683 HydrophobicContact CB-CE 3.32Å; A608-M683 HydrophobicContact CB-CG 4.36Å; V629-M683 HydrophobicContact CG1-CB 3.9Å; V629-M683 HydrophobicContact CG1-SD 4.25Å; V629-M683 HydrophobicContact CG2-SD 3.62Å; T679-M683 WeakPolarHBondContact O-CG 3.44Å; T679-M683 PolarHBondContact O-N 3.21Å; A680-M683 WeakPolarHBondContact O-CB 3.23Å; A680-M683 PolarHBondContact O-N 2.87Å; C681-M683 PolarHBondContact O-N 3.44Å; M683-V685 VanDerWaalsContact C-N 3.27Å; M683-V685 PolarHBondContact O-N 3.18Å; M683-C686 WeakPolarHBondContact O-CB 3.3Å; M683-C686 PolarHBondContact O-N 3.32Å; M683-C686 VanDerWaalsContact O-N 3.13Å; M683-Y687 HydrophobicContact CB-CD2 4.49Å; M683-Y687 HydrophobicContact CB-CE2 4.13Å; M683-Y687 HydrophobicContact CE-CE1 4.09Å; M683-Y687 HydrophobicContact CE-CE2 3.93Å; M683-Y687 VanDerWaalsContact CE-CZ 3.41Å; M683-Y687 WeakPolarHBondContact CE-OH 3.28Å; M683-Y687 VanDerWaalsContact O-CD2 3.3Å; M683-Y687 WeakPolarHBondContact O-CD2 3Å; M683-Y687 PolarHBondContact O-N 3.47Å; M683-Y687 HydrophobicContact SD-CE2 4.31Å
684	L	95.6	Very high	91	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-37.2	-179.2	-69.7	169.6	0	0	0	110.8	M626 V629 L630 A633 A680 C681 Y687 A688 V702 M706	M626-L684 HydrophobicContact CE-CD2 3.75Å; M626-L684 HydrophobicContact SD-CD2 4.19Å; V629-L684 HydrophobicContact CG1-CD1 4.49Å; V629-L684 HydrophobicContact CG1-CD2 3.82Å; V629-L684 HydrophobicContact CG1-CG 3.8Å; L630-L684 HydrophobicContact CD2-CD2 4.28Å; A633-L684 HydrophobicContact CB-CD1 3.84Å; A680-L684 WeakPolarHBondContact O-CG 3.44Å; A680-L684 PolarHBondContact O-N 3.07Å; C681-L684 WeakPolarHBondContact O-CB 3.3Å; C681-L684 PolarHBondContact O-N 2.97Å; L684-Y687 PolarHBondContact O-N 2.8Å; L684-A688 VanDerWaalsContact O-CB 3.31Å; L684-A688 WeakPolarHBondContact O-CB 3.43Å; L684-A688 PolarHBondContact O-N 2.87Å; L684-V702 HydrophobicContact CB-CG1 4.27Å; L684-V702 HydrophobicContact CD1-CG1 4.26Å; L684-V702 HydrophobicContact CD2-CG1 4.42Å; L684-V702 HydrophobicContact CD2-CG2 3.93Å; L684-M706 HydrophobicContact CB-CE 3.43Å; L684-M706 VanDerWaalsContact CB-CE 3.43Å; L684-M706 HydrophobicContact CD1-CE 3.58Å; L684-M706 HydrophobicContact CG-CE 4.12Å
685	V	95.9	Very high	91.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-53.8	168.6	177.7	0	0	0	0	110.3	C681 Q682 M683 Y687 A688 R689 A721 E724 C725 F728	C681-V685 PolarHBondContact O-N 3.38Å; C681-V685 VanDerWaalsContact O-N 3.08Å; Q682-V685 WeakPolarHBondContact O-CB 3.29Å; Q682-V685 PolarHBondContact O-N 3.32Å; M683-V685 VanDerWaalsContact C-N 3.27Å; M683-V685 PolarHBondContact O-N 3.18Å; V685-Y687 PolarHBondContact O-N 2.79Å; V685-A688 PolarHBondContact O-N 2.83Å; V685-R689 WeakPolarHBondContact O-CB 3.26Å; V685-R689 PolarHBondContact O-N 2.77Å; V685-A721 HydrophobicContact CG2-CB 4.15Å; V685-A721 WeakPolarHBondContact CG2-O 3.24Å; V685-E724 HydrophobicContact CG1-CB 4.15Å; V685-E724 HydrophobicContact CG1-CG 3.83Å; V685-E724 WeakPolarHBondContact CG1-OE1 3.5Å; V685-E724 HydrophobicContact CG2-CB 4.22Å; V685-C725 HydrophobicContact CG2-CB 3.81Å; V685-F728 HydrophobicContact CG1-CE2 4.26Å
686	C	92.9	Very high	92.1	Very high	12 Å²	12	23.6 Å²	23.6	8%	0.081	12%	0.115	C	C	.	.	H	α-helix	trans	-56.7	-47.4	179.7	-173.3	0	0	0	0	111.6	Q682 M683 R689 E690	Q682-C686 PolarHBondContact O-N 3.02Å; M683-C686 WeakPolarHBondContact O-CB 3.3Å; M683-C686 PolarHBondContact O-N 3.32Å; M683-C686 VanDerWaalsContact O-N 3.13Å; C686-R689 PolarHBondContact O-N 3.18Å; C686-E690 WeakPolarHBondContact O-CB 2.84Å; C686-E690 VanDerWaalsContact O-CG 3.26Å; C686-E690 WeakPolarHBondContact O-CG 3.01Å; C686-E690 PolarHBondContact O-N 3.49Å
687	Y	94.3	Very high	92.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-44.1	179.4	-62.4	-37.8	0	0	0	112.4	W607 C611 F618 L622 M626 V629 M683 L684 V685 R689 M691 F695	W607-Y687 VanDerWaalsContact CB-OH 3.3Å; W607-Y687 WeakPolarHBondContact CB-OH 3.25Å; C611-Y687 HydrophobicContact CB-CD1 3.87Å; C611-Y687 HydrophobicContact CB-CE1 3.63Å; C611-Y687 VanDerWaalsContact SG-CD1 3.55Å; F618-Y687 HydrophobicContact CD1-CE1 4.28Å; F618-Y687 HydrophobicContact CE1-CD1 4.22Å; F618-Y687 AromaticContact CE1-CE1 3.57Å; F618-Y687 HydrophobicContact CE1-CE1 3.57Å; F618-Y687 HydrophobicContact CZ-CE1 4.12Å; L622-Y687 HydrophobicContact CD2-CD1 4.44Å; L622-Y687 HydrophobicContact CD2-CG 4.33Å; M626-Y687 HydrophobicContact SD-CD2 3.9Å; M626-Y687 HydrophobicContact SD-CE2 4.25Å; V629-Y687 HydrophobicContact CG1-CE2 4.35Å; V629-Y687 HydrophobicContact CG2-CE2 4.13Å; M683-Y687 HydrophobicContact CB-CD2 4.49Å; M683-Y687 HydrophobicContact CB-CE2 4.13Å; M683-Y687 HydrophobicContact CE-CE1 4.09Å; M683-Y687 HydrophobicContact CE-CE2 3.93Å; M683-Y687 VanDerWaalsContact CE-CZ 3.41Å; M683-Y687 WeakPolarHBondContact CE-OH 3.28Å; M683-Y687 VanDerWaalsContact O-CD2 3.3Å; M683-Y687 WeakPolarHBondContact O-CD2 3Å; M683-Y687 PolarHBondContact O-N 3.47Å; M683-Y687 HydrophobicContact SD-CE2 4.31Å; L684-Y687 PolarHBondContact O-N 2.8Å; V685-Y687 PolarHBondContact O-N 2.79Å; Y687-R689 VanDerWaalsContact C-N 3.32Å; Y687-R689 PolarHBondContact O-N 3.48Å; Y687-M691 WeakPolarHBondContact O-CB 3.5Å; Y687-M691 WeakPolarHBondContact O-CG 3.3Å; Y687-M691 PolarHBondContact O-N 2.87Å; Y687-F695 HydrophobicContact CG-CE2 4.49Å
688	A	95	Very high	93	Very high	2 Å²	2	28 Å²	28	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-42.4	178	0	0	0	0	0	111.6	L684 V685 K692 F695 F728 L729	L684-A688 VanDerWaalsContact O-CB 3.31Å; L684-A688 WeakPolarHBondContact O-CB 3.43Å; L684-A688 PolarHBondContact O-N 2.87Å; V685-A688 PolarHBondContact O-N 2.83Å; A688-K692 PolarHBondContact O-N 3.19Å; A688-F695 HydrophobicContact CB-CD1 3.85Å; A688-F695 HydrophobicContact CB-CE1 3.97Å; A688-F728 HydrophobicContact CB-CB 3.76Å; A688-L729 HydrophobicContact CB-CD2 3.95Å
689	R	93.5	Very high	93.3	Very high	81 Å²	81	27.9 Å²	27.9	31%	0.306	14%	0.141	S	C	.	.	H	α-helix	trans	-66	-52.5	178.4	-176.1	173.9	67.8	-146.2	-3	112.5	V685 C686 Y687 K692 E724 F728	V685-R689 WeakPolarHBondContact O-CB 3.26Å; V685-R689 PolarHBondContact O-N 2.77Å; C686-R689 PolarHBondContact O-N 3.18Å; Y687-R689 VanDerWaalsContact C-N 3.32Å; Y687-R689 PolarHBondContact O-N 3.48Å; R689-K692 WeakPolarHBondContact O-CG 3.4Å; R689-E724 IonicContact NH1-OE1 3.86Å; R689-E724 PolarHBondContact NH1-OE1 3.44Å; R689-F728 HydrophobicContact CB-CD1 4.27Å; R689-F728 HydrophobicContact CB-CD2 4.19Å; R689-F728 HydrophobicContact CB-CE1 4.17Å; R689-F728 HydrophobicContact CB-CE2 4.08Å; R689-F728 HydrophobicContact CB-CG 4.29Å; R689-F728 HydrophobicContact CB-CZ 4.08Å; R689-F728 HydrophobicContact CG-CD1 4.39Å; R689-F728 HydrophobicContact CG-CE1 3.89Å; R689-F728 HydrophobicContact CG-CE2 4.37Å; R689-F728 HydrophobicContact CG-CZ 3.88Å
690	E	91.1	Very high	93.7	Very high	48 Å²	48	29.5 Å²	29.5	22%	0.224	15%	0.146	C	C	.	.	H	α-helix	trans	-76.1	-33.8	-173.3	-58.6	-47	141.4	0	0	112.7	C686	C686-E690 WeakPolarHBondContact O-CB 2.84Å; C686-E690 VanDerWaalsContact O-CG 3.26Å; C686-E690 WeakPolarHBondContact O-CG 3.01Å; C686-E690 PolarHBondContact O-N 3.49Å
691	M	91.5	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-84.1	-18.9	-178.3	-58.7	-62.8	92.3	0	0	113	C611 G615 F618 L622 Y687 E693 S694 F695	C611-M691 VanDerWaalsContact SG-CE 3.58Å; G615-M691 VanDerWaalsContact C-CE 3.5Å; G615-M691 WeakPolarHBondContact O-CE 3.15Å; F618-M691 HydrophobicContact CB-CE 4.09Å; F618-M691 HydrophobicContact CB-SD 4.31Å; L622-M691 HydrophobicContact CD1-CG 3.91Å; L622-M691 HydrophobicContact CD1-SD 4.04Å; L622-M691 HydrophobicContact CD2-CG 4.35Å; L622-M691 HydrophobicContact CG-SD 4.46Å; Y687-M691 WeakPolarHBondContact O-CB 3.5Å; Y687-M691 WeakPolarHBondContact O-CG 3.3Å; Y687-M691 PolarHBondContact O-N 2.87Å; M691-E693 PolarHBondContact O-N 3.37Å; M691-E693 VanDerWaalsContact O-N 3.15Å; M691-S694 WeakPolarHBondContact O-CB 3.12Å; M691-S694 PolarHBondContact O-N 3.37Å; M691-F695 HydrophobicContact CB-CB 3.95Å; M691-F695 HydrophobicContact CB-CD2 4.2Å; M691-F695 HydrophobicContact CB-CG 4.48Å; M691-F695 HydrophobicContact CG-CD2 4.28Å
692	K	90.6	Very high	94.1	Very high	76 Å²	76	34.3 Å²	34.3	33%	0.33	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	47.4	-118.5	-180	-58.1	-179.7	-178.3	170.3	0	111.6	A688 R689 S694 F695 S732 E1061	A688-K692 PolarHBondContact O-N 3.19Å; R689-K692 WeakPolarHBondContact O-CG 3.4Å; K692-S694 VanDerWaalsContact C-N 3.26Å; K692-S694 PolarHBondContact O-N 3.45Å; K692-F695 WeakPolarHBondContact O-CB 3.45Å; K692-F695 PolarHBondContact O-N 3.47Å; K692-S732 WeakPolarHBondContact O-CB 3.25Å; K692-S732 PolarHBondContact O-OG 3.03Å; K692-E1061 IonicContact NZ-OE1 3.44Å; K692-E1061 PolarHBondContact NZ-OE1 2.87Å
693	E	92	Very high	94.3	Very high	61 Å²	61	30.2 Å²	30.2	29%	0.285	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-71.3	-19.4	-175.4	-43.8	92.6	164.6	0	0	113.4	R616 M691 F695 A696 S732 V735 K736	R616-E693 IonicContact CZ-OE2 2.78Å; R616-E693 IonicContact NH2-OE1 3.7Å; R616-E693 IonicContact NH2-OE2 3.58Å; R616-E693 PolarHBondContact NH2-OE2 3.06Å; M691-E693 PolarHBondContact O-N 3.37Å; M691-E693 VanDerWaalsContact O-N 3.15Å; E693-F695 PolarHBondContact O-N 3.13Å; E693-A696 WeakPolarHBondContact O-CB 3.21Å; E693-A696 PolarHBondContact O-N 3.49Å; E693-S732 WeakPolarHBondContact CA-OG 3.28Å; E693-V735 HydrophobicContact CB-CG1 4.49Å; E693-V735 HydrophobicContact CG-CB 3.96Å; E693-V735 HydrophobicContact CG-CG1 3.92Å; E693-V735 HydrophobicContact CG-CG2 4.15Å; E693-K736 HydrophobicContact CB-CD 4.42Å; E693-K736 HydrophobicContact CB-CG 3.97Å; E693-K736 WeakPolarHBondContact O-CG 3.37Å
694	S	91.3	Very high	94.6	Very high	31 Å²	31	33.6 Å²	33.6	22%	0.217	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-71.1	-16.5	174.4	-67.8	0	0	0	0	112.3	E619 M691 K692 A696 P697	E619-S694 VanDerWaalsContact OE2-CB 3.25Å; E619-S694 WeakPolarHBondContact OE2-CB 3.43Å; E619-S694 PolarHBondContact OE2-OG 3.48Å; M691-S694 WeakPolarHBondContact O-CB 3.12Å; M691-S694 PolarHBondContact O-N 3.37Å; K692-S694 VanDerWaalsContact C-N 3.26Å; K692-S694 PolarHBondContact O-N 3.45Å; S694-A696 VanDerWaalsContact C-N 3.3Å; S694-A696 PolarHBondContact O-N 3.33Å; S694-P697 VanDerWaalsContact O-CD 3.25Å; S694-P697 WeakPolarHBondContact O-CD 3.31Å
695	F	95	Very high	94.6	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-80	-7.9	177.4	-152.6	-116.3	0	0	0	114.4	L622 M626 Y687 A688 M691 K692 E693 P697 Y698 C699 V702 L729	L622-F695 HydrophobicContact CD1-CD2 4.36Å; L622-F695 HydrophobicContact CD2-CD2 4.48Å; L622-F695 HydrophobicContact CD2-CE2 4.22Å; M626-F695 HydrophobicContact CE-CE2 3.97Å; M626-F695 HydrophobicContact CE-CZ 3.66Å; M626-F695 HydrophobicContact SD-CE2 3.95Å; M626-F695 HydrophobicContact SD-CZ 4.11Å; Y687-F695 HydrophobicContact CG-CE2 4.49Å; A688-F695 HydrophobicContact CB-CD1 3.85Å; A688-F695 HydrophobicContact CB-CE1 3.97Å; M691-F695 HydrophobicContact CB-CB 3.95Å; M691-F695 HydrophobicContact CB-CD2 4.2Å; M691-F695 HydrophobicContact CB-CG 4.48Å; M691-F695 HydrophobicContact CG-CD2 4.28Å; K692-F695 WeakPolarHBondContact O-CB 3.45Å; K692-F695 PolarHBondContact O-N 3.47Å; E693-F695 PolarHBondContact O-N 3.13Å; F695-P697 VanDerWaalsContact C-N 3.29Å; F695-P697 WeakPolarHBondContact O-CD 3.25Å; F695-P697 VanDerWaalsContact O-N 3.1Å; F695-Y698 HydrophobicContact CD2-CD2 4.02Å; F695-Y698 HydrophobicContact CE2-CD2 4.03Å; F695-Y698 HydrophobicContact CE2-CG 4.33Å; F695-Y698 PolarHBondContact O-N 3.04Å; F695-C699 PolarHBondContact O-N 2.96Å; F695-C699 PolarHBondContact O-SG 2.99Å; F695-C699 VanDerWaalsContact O-SG 3.35Å; F695-V702 HydrophobicContact CE1-CG2 3.96Å; F695-V702 HydrophobicContact CZ-CG2 4.1Å; F695-L729 HydrophobicContact CD1-CD2 3.96Å; F695-L729 HydrophobicContact CE1-CD2 3.91Å
696	A	94	Very high	94.7	Very high	5 Å²	5	34.6 Å²	34.6	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-48.3	-38	-177.3	0	0	0	0	0	115.4	E693 S694 Y698 C699 S732 K736 Q737	E693-A696 WeakPolarHBondContact O-CB 3.21Å; E693-A696 PolarHBondContact O-N 3.49Å; S694-A696 VanDerWaalsContact C-N 3.3Å; S694-A696 PolarHBondContact O-N 3.33Å; A696-Y698 PolarHBondContact O-N 3Å; A696-C699 PolarHBondContact O-N 3.07Å; A696-S732 PolarHBondContact N-OG 3.48Å; A696-K736 HydrophobicContact CB-CB 3.51Å; A696-K736 HydrophobicContact CB-CG 3.82Å; A696-Q737 PolarHBondContact O-NE2 2.8Å
697	P	94.8	Very high	95	Very high	100 Å²	100	34.2 Å²	34.2	65%	0.649	17%	0.17	S	C	*	.	H	α-helix	trans	-60.4	-25.1	177.9	-24.9	36.2	0	0	0	114.6	S694 F695	S694-P697 VanDerWaalsContact O-CD 3.25Å; S694-P697 WeakPolarHBondContact O-CD 3.31Å; F695-P697 VanDerWaalsContact C-N 3.29Å; F695-P697 WeakPolarHBondContact O-CD 3.25Å; F695-P697 VanDerWaalsContact O-N 3.1Å
698	Y	96.5	Very high	95.1	Very high	40 Å²	40	37.6 Å²	37.6	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-100.2	-14.7	-177.3	-56.2	-77.3	0	0	0	113.1	L622 P623 M626 F695 A696 Q700 Q701 V702	L622-Y698 HydrophobicContact CB-CE2 3.97Å; L622-Y698 HydrophobicContact CD1-CE2 4.03Å; P623-Y698 WeakPolarHBondContact CA-OH 3.38Å; M626-Y698 HydrophobicContact CB-CD1 4.22Å; M626-Y698 HydrophobicContact CB-CE1 3.85Å; M626-Y698 HydrophobicContact CE-CD1 3.74Å; M626-Y698 HydrophobicContact CE-CE1 4.47Å; M626-Y698 HydrophobicContact CE-CG 3.77Å; M626-Y698 HydrophobicContact CG-CD1 3.96Å; M626-Y698 HydrophobicContact CG-CD2 4.49Å; M626-Y698 HydrophobicContact CG-CE1 3.73Å; M626-Y698 HydrophobicContact CG-CE2 4.3Å; M626-Y698 HydrophobicContact CG-CG 4.33Å; F695-Y698 HydrophobicContact CD2-CD2 4.02Å; F695-Y698 HydrophobicContact CE2-CD2 4.03Å; F695-Y698 HydrophobicContact CE2-CG 4.33Å; F695-Y698 PolarHBondContact O-N 3.04Å; A696-Y698 PolarHBondContact O-N 3Å; Y698-Q700 PolarHBondContact O-N 2.93Å; Y698-Q701 PolarHBondContact O-N 2.9Å; Y698-Q701 VanDerWaalsContact O-N 3.11Å; Y698-V702 WeakPolarHBondContact O-CG2 3.47Å; Y698-V702 PolarHBondContact O-N 3.28Å
699	C	96.8	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.9	-45.2	-168.8	-74.3	0	0	0	0	113.5	F695 A696 Q701 V702 L703 L729 M733	F695-C699 PolarHBondContact O-N 2.96Å; F695-C699 PolarHBondContact O-SG 2.99Å; F695-C699 VanDerWaalsContact O-SG 3.35Å; A696-C699 PolarHBondContact O-N 3.07Å; C699-Q701 PolarHBondContact O-N 2.98Å; C699-V702 PolarHBondContact O-N 2.92Å; C699-L703 WeakPolarHBondContact O-CB 3.44Å; C699-L703 PolarHBondContact O-N 2.93Å; C699-L729 HydrophobicContact CB-CD2 4.45Å; C699-M733 HydrophobicContact CB-CG 3.51Å; C699-M733 HydrophobicContact CB-SD 3.85Å
700	Q	96.1	Very high	95.4	Very high	72 Å²	72	34.2 Å²	34.2	34%	0.336	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-43.3	-179.9	-171.7	63	51	0	0	112.1	Y698 L703 D704	Y698-Q700 PolarHBondContact O-N 2.93Å; Q700-L703 PolarHBondContact O-N 3.27Å; Q700-D704 PolarHBondContact NE2-OD1 3.42Å; Q700-D704 PolarHBondContact O-N 3.49Å
701	Q	96.5	Very high	95.4	Very high	101 Å²	101	33.8 Å²	33.8	47%	0.472	18%	0.179	S	C	.	.	H	α-helix	trans	-66.6	-42.3	179.5	-176	177	13.9	0	0	111.3	L630 Y698 C699 D704 I705	L630-Q701 HydrophobicContact CD2-CG 4.29Å; Y698-Q701 PolarHBondContact O-N 2.9Å; Y698-Q701 VanDerWaalsContact O-N 3.11Å; C699-Q701 PolarHBondContact O-N 2.98Å; Q701-D704 PolarHBondContact O-N 3.41Å; Q701-I705 HydrophobicContact CG-CD1 4.45Å; Q701-I705 WeakPolarHBondContact O-CG1 3.39Å; Q701-I705 PolarHBondContact O-N 3.32Å
702	V	97.8	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-38.7	177.5	179.2	0	0	0	0	110.6	M626 L630 L684 F695 Y698 C699 D704 I705 M706 L729	M626-V702 HydrophobicContact CE-CG2 4.03Å; L630-V702 HydrophobicContact CD2-CG2 4.04Å; L684-V702 HydrophobicContact CB-CG1 4.27Å; L684-V702 HydrophobicContact CD1-CG1 4.26Å; L684-V702 HydrophobicContact CD2-CG1 4.42Å; L684-V702 HydrophobicContact CD2-CG2 3.93Å; F695-V702 HydrophobicContact CE1-CG2 3.96Å; F695-V702 HydrophobicContact CZ-CG2 4.1Å; Y698-V702 WeakPolarHBondContact O-CG2 3.47Å; Y698-V702 PolarHBondContact O-N 3.28Å; C699-V702 PolarHBondContact O-N 2.92Å; V702-D704 VanDerWaalsContact C-N 3.3Å; V702-D704 PolarHBondContact O-N 2.9Å; V702-I705 PolarHBondContact O-N 3.22Å; V702-I705 VanDerWaalsContact O-N 3.12Å; V702-M706 HydrophobicContact CG1-CE 4.38Å; V702-M706 HydrophobicContact CG1-CG 3.84Å; V702-M706 WeakPolarHBondContact O-CG 3.15Å; V702-M706 PolarHBondContact O-N 3.48Å; V702-L729 HydrophobicContact CB-CD1 4.21Å; V702-L729 HydrophobicContact CB-CD2 4.23Å; V702-L729 HydrophobicContact CG1-CD1 3.86Å; V702-L729 HydrophobicContact CG1-CD2 4.06Å
703	L	97.7	Very high	95.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-40.2	173.8	-170.3	76.8	0	0	0	111.9	C699 Q700 I705 V707 L726 L729 A744 V748	C699-L703 WeakPolarHBondContact O-CB 3.44Å; C699-L703 PolarHBondContact O-N 2.93Å; Q700-L703 PolarHBondContact O-N 3.27Å; L703-I705 PolarHBondContact O-N 3.48Å; L703-V707 HydrophobicContact CD1-CG2 3.92Å; L703-V707 HydrophobicContact CG-CG2 4.11Å; L703-V707 WeakPolarHBondContact O-CB 3.48Å; L703-V707 WeakPolarHBondContact O-CG2 3.35Å; L703-V707 PolarHBondContact O-N 2.92Å; L703-L726 HydrophobicContact CD1-CD2 4.01Å; L703-L729 HydrophobicContact CB-CD1 4.21Å; L703-L729 HydrophobicContact CD1-CD1 4.17Å; L703-A744 HydrophobicContact CD2-CB 3.68Å; L703-V748 HydrophobicContact CD1-CG2 3.61Å
704	D	97	Very high	95	Very high	75 Å²	75	37.1 Å²	37.1	40%	0.401	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-27.3	177.6	-70.5	-23.5	0	0	0	112.6	Q700 Q701 V702 P708 R747	Q700-D704 PolarHBondContact NE2-OD1 3.42Å; Q700-D704 PolarHBondContact O-N 3.49Å; Q701-D704 PolarHBondContact O-N 3.41Å; V702-D704 VanDerWaalsContact C-N 3.3Å; V702-D704 PolarHBondContact O-N 2.9Å; D704-P708 VanDerWaalsContact O-CD 3.32Å; D704-P708 WeakPolarHBondContact O-CD 3.41Å; D704-R747 PolarHBondContact O-NH2 3.43Å; D704-R747 IonicContact OD1-CZ 2.82Å; D704-R747 IonicContact OD1-NH1 2.94Å; D704-R747 PolarHBondContact OD1-NH1 2.9Å
705	I	97.3	Very high	95	Very high	20 Å²	20	37 Å²	37	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-86.8	-50.4	177.2	-63.4	167.1	0	0	0	111.4	L630 A633 C634 Q701 V702 L703 P708 L709	L630-I705 HydrophobicContact CD2-CD1 3.52Å; A633-I705 HydrophobicContact CB-CG2 4.17Å; C634-I705 VanDerWaalsContact SG-CD1 3.56Å; Q701-I705 HydrophobicContact CG-CD1 4.45Å; Q701-I705 WeakPolarHBondContact O-CG1 3.39Å; Q701-I705 PolarHBondContact O-N 3.32Å; V702-I705 PolarHBondContact O-N 3.22Å; V702-I705 VanDerWaalsContact O-N 3.12Å; L703-I705 PolarHBondContact O-N 3.48Å; I705-P708 WeakPolarHBondContact O-CD 3.17Å; I705-L709 HydrophobicContact CG2-CD1 3.93Å; I705-L709 VanDerWaalsContact O-CG 3.32Å; I705-L709 WeakPolarHBondContact O-CG 3.42Å
706	M	97.9	Very high	94.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.3	-38.5	-171.3	-68.2	-53.9	-160.4	0	0	113.1	C681 L684 V702 L709 L710 A722 C725 L726	C681-M706 HydrophobicContact CB-CE 4.05Å; C681-M706 HydrophobicContact CB-SD 4.46Å; L684-M706 HydrophobicContact CB-CE 3.43Å; L684-M706 VanDerWaalsContact CB-CE 3.43Å; L684-M706 HydrophobicContact CD1-CE 3.58Å; L684-M706 HydrophobicContact CG-CE 4.12Å; V702-M706 HydrophobicContact CG1-CE 4.38Å; V702-M706 HydrophobicContact CG1-CG 3.84Å; V702-M706 WeakPolarHBondContact O-CG 3.15Å; V702-M706 PolarHBondContact O-N 3.48Å; M706-L709 WeakPolarHBondContact O-CB 3.44Å; M706-L709 PolarHBondContact O-N 3.43Å; M706-L709 HydrophobicContact SD-CD1 4.25Å; M706-L710 PolarHBondContact O-N 3.42Å; M706-A722 HydrophobicContact CB-CB 4.33Å; M706-A722 WeakPolarHBondContact O-CB 3.41Å; M706-A722 HydrophobicContact SD-CB 4.12Å; M706-C725 HydrophobicContact CE-CB 4.04Å; M706-C725 HydrophobicContact CG-CB 4.15Å; M706-L726 HydrophobicContact CB-CD2 3.98Å
707	V	98	Very high	94.9	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-46.6	-176.2	167	0	0	0	0	112.8	L703 L709 L710 L726 R747 V748 S751	L703-V707 HydrophobicContact CD1-CG2 3.92Å; L703-V707 HydrophobicContact CG-CG2 4.11Å; L703-V707 WeakPolarHBondContact O-CB 3.48Å; L703-V707 WeakPolarHBondContact O-CG2 3.35Å; L703-V707 PolarHBondContact O-N 2.92Å; V707-L709 PolarHBondContact O-N 3.13Å; V707-L710 PolarHBondContact O-N 3.5Å; V707-L726 HydrophobicContact CG2-CD2 4.1Å; V707-R747 HydrophobicContact CG1-CG 4.02Å; V707-R747 HydrophobicContact CG2-CG 4.41Å; V707-V748 HydrophobicContact CG2-CG2 4.25Å; V707-S751 WeakPolarHBondContact CG1-OG 3.1Å
708	P	96.4	Very high	94.9	Very high	70 Å²	70	41.8 Å²	41.8	46%	0.455	20%	0.203	S	C	.	.	H	α-helix	trans	-63.7	-23.9	173.1	-24.8	34.4	0	0	0	115	D704 I705 L710 D711	D704-P708 VanDerWaalsContact O-CD 3.32Å; D704-P708 WeakPolarHBondContact O-CD 3.41Å; I705-P708 WeakPolarHBondContact O-CD 3.17Å; P708-L710 VanDerWaalsContact C-N 3.27Å; P708-L710 PolarHBondContact O-N 3.26Å; P708-D711 PolarHBondContact O-N 3.36Å
709	L	97	Very high	95	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.068	20%	0.198	C	C	.	.	H	α-helix	trans	-76.8	-12.3	-177.6	-67.6	178.8	0	0	0	113.6	I705 M706 V707 D711 F712 V718 R719 A722	I705-L709 HydrophobicContact CG2-CD1 3.93Å; I705-L709 VanDerWaalsContact O-CG 3.32Å; I705-L709 WeakPolarHBondContact O-CG 3.42Å; M706-L709 WeakPolarHBondContact O-CB 3.44Å; M706-L709 PolarHBondContact O-N 3.43Å; M706-L709 HydrophobicContact SD-CD1 4.25Å; V707-L709 PolarHBondContact O-N 3.13Å; L709-D711 PolarHBondContact O-N 3.29Å; L709-F712 HydrophobicContact CB-CB 4.47Å; L709-F712 HydrophobicContact CD2-CB 4.04Å; L709-F712 HydrophobicContact CD2-CD2 4.06Å; L709-F712 HydrophobicContact CD2-CG 4.08Å; L709-F712 WeakPolarHBondContact O-CB 3.5Å; L709-F712 PolarHBondContact O-N 2.99Å; L709-V718 HydrophobicContact CB-CG1 3.98Å; L709-V718 HydrophobicContact CD1-CG1 4.08Å; L709-V718 HydrophobicContact CD2-CG1 4.1Å; L709-V718 HydrophobicContact CG-CG1 4.26Å; L709-R719 WeakPolarHBondContact O-CG 3.39Å; L709-A722 HydrophobicContact CB-CB 3.86Å
710	L	97.5	Very high	95.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.1	169.2	-64.7	173.4	0	0	0	112.7	M706 V707 P708 A722 A723 L726 L752 A755	M706-L710 PolarHBondContact O-N 3.42Å; V707-L710 PolarHBondContact O-N 3.5Å; P708-L710 VanDerWaalsContact C-N 3.27Å; P708-L710 PolarHBondContact O-N 3.26Å; L710-A722 HydrophobicContact CD2-CB 4.15Å; L710-A723 HydrophobicContact CD2-CB 3.83Å; L710-L726 HydrophobicContact CD1-CD1 4.14Å; L710-L752 HydrophobicContact CD1-CD2 3.98Å; L710-L752 HydrophobicContact CD1-CG 4.3Å; L710-L752 HydrophobicContact CD2-CD2 4.14Å; L710-A755 HydrophobicContact CB-CB 3.92Å; L710-A755 HydrophobicContact CD1-CB 4.4Å
711	D	92.6	Very high	95.1	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.203	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	24.5	176.4	-52.3	-82.5	0	0	0	112	P708 L709 Y713 R754	P708-D711 PolarHBondContact O-N 3.36Å; L709-D711 PolarHBondContact O-N 3.29Å; D711-Y713 HydrophobicContact CB-CE2 3.88Å; D711-Y713 WeakPolarHBondContact O-CD2 3.17Å; D711-Y713 WeakPolarHBondContact O-CE2 3.44Å; D711-Y713 PolarHBondContact O-N 2.97Å; D711-Y713 PolarHBondContact OD1-OH 3.32Å; D711-R754 IonicContact OD1-NE 2.7Å; D711-R754 PolarHBondContact OD1-NE 2.91Å; D711-R754 IonicContact OD2-CZ 3.81Å; D711-R754 IonicContact OD2-NE 3.77Å; D711-R754 PolarHBondContact OD2-NE 2.8Å; D711-R754 IonicContact OD2-NH2 3.82Å; D711-R754 PolarHBondContact OD2-NH2 3.45Å
712	F	91.6	Very high	95.2	Very high	22 Å²	22	33.4 Å²	33.4	10%	0.096	17%	0.168	C	C	.	.			trans	-86.8	74.1	177.6	-169.2	-101	0	0	0	110.7	P637 L674 K677 L709 F714 N715 V718 R719	P637-F712 HydrophobicContact CG-CE2 3.85Å; P637-F712 HydrophobicContact CG-CZ 3.86Å; L674-F712 HydrophobicContact CD2-CE1 3.84Å; L674-F712 HydrophobicContact CD2-CZ 3.62Å; K677-F712 HydrophobicContact CD-CE1 3.88Å; K677-F712 HydrophobicContact CD-CE2 4.4Å; K677-F712 HydrophobicContact CD-CZ 3.79Å; L709-F712 HydrophobicContact CB-CB 4.47Å; L709-F712 HydrophobicContact CD2-CB 4.04Å; L709-F712 HydrophobicContact CD2-CD2 4.06Å; L709-F712 HydrophobicContact CD2-CG 4.08Å; L709-F712 WeakPolarHBondContact O-CB 3.5Å; L709-F712 PolarHBondContact O-N 2.99Å; F712-F714 HydrophobicContact CD1-CB 4.29Å; F712-F714 AromaticContact CD2-CD2 3.91Å; F712-F714 HydrophobicContact CD2-CD2 3.91Å; F712-F714 HydrophobicContact CE1-CB 3.81Å; F712-F714 HydrophobicContact CE1-CD2 4.22Å; F712-F714 AromaticContact CE2-CD2 3.57Å; F712-F714 HydrophobicContact CE2-CD2 3.57Å; F712-F714 HydrophobicContact CE2-CE2 4.27Å; F712-F714 HydrophobicContact CG-CD2 4.38Å; F712-F714 HydrophobicContact CZ-CB 4.01Å; F712-F714 AromaticContact CZ-CD2 3.73Å; F712-F714 HydrophobicContact CZ-CD2 3.73Å; F712-F714 HydrophobicContact CZ-CG 4.34Å; F712-F714 PolarHBondContact O-N 2.91Å; F712-N715 HydrophobicContact CD1-CB 4.25Å; F712-N715 HydrophobicContact CE1-CB 4.08Å; F712-N715 PolarHBondContact O-N 3.35Å; F712-V718 HydrophobicContact CB-CG1 4.14Å; F712-V718 HydrophobicContact CD1-CB 3.98Å; F712-V718 HydrophobicContact CD1-CG1 3.68Å; F712-V718 HydrophobicContact CD1-CG2 4.31Å; F712-V718 HydrophobicContact CE1-CG1 4.42Å; F712-V718 HydrophobicContact CE1-CG2 4.41Å; F712-V718 HydrophobicContact CG-CG1 4.13Å; F712-R719 HydrophobicContact CB-CG 4.46Å; F712-R719 WeakPolarHBondContact O-CD 3.23Å
713	Y	87.4	Confident	95.2	Very high	105 Å²	105	33.4 Å²	33.4	41%	0.412	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	4.2	-174.1	-57.9	-76.5	0	0	0	115.9	D711	D711-Y713 HydrophobicContact CB-CE2 3.88Å; D711-Y713 WeakPolarHBondContact O-CD2 3.17Å; D711-Y713 WeakPolarHBondContact O-CE2 3.44Å; D711-Y713 PolarHBondContact O-N 2.97Å; D711-Y713 PolarHBondContact OD1-OH 3.32Å
714	F	86.5	Confident	95.3	Very high	81 Å²	81	36.8 Å²	36.8	36%	0.355	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-15.6	177.6	-53	-65.5	0	0	0	113.2	P637 I639 I669 L674 F712	P637-F714 HydrophobicContact CG-CD2 4.02Å; P637-F714 HydrophobicContact CG-CE2 4.18Å; I639-F714 HydrophobicContact CD1-CE1 4.17Å; I639-F714 HydrophobicContact CD1-CE2 3.87Å; I639-F714 HydrophobicContact CD1-CZ 3.41Å; I639-F714 VanDerWaalsContact CD1-CZ 3.41Å; I639-F714 HydrophobicContact CG1-CZ 4.38Å; I669-F714 HydrophobicContact CD1-CD1 3.46Å; I669-F714 VanDerWaalsContact CD1-CD1 3.46Å; I669-F714 HydrophobicContact CD1-CE1 3.68Å; I669-F714 HydrophobicContact CG1-CD1 4.12Å; I669-F714 HydrophobicContact CG1-CE1 4.11Å; I669-F714 HydrophobicContact CG2-CD1 4.48Å; L674-F714 HydrophobicContact CD1-CB 4.34Å; F712-F714 HydrophobicContact CD1-CB 4.29Å; F712-F714 AromaticContact CD2-CD2 3.91Å; F712-F714 HydrophobicContact CD2-CD2 3.91Å; F712-F714 HydrophobicContact CE1-CB 3.81Å; F712-F714 HydrophobicContact CE1-CD2 4.22Å; F712-F714 AromaticContact CE2-CD2 3.57Å; F712-F714 HydrophobicContact CE2-CD2 3.57Å; F712-F714 HydrophobicContact CE2-CE2 4.27Å; F712-F714 HydrophobicContact CG-CD2 4.38Å; F712-F714 HydrophobicContact CZ-CB 4.01Å; F712-F714 AromaticContact CZ-CD2 3.73Å; F712-F714 HydrophobicContact CZ-CD2 3.73Å; F712-F714 HydrophobicContact CZ-CG 4.34Å; F712-F714 PolarHBondContact O-N 2.91Å
715	N	90	Very high	95.3	Very high	28 Å²	28	33.2 Å²	33.2	15%	0.15	16%	0.164	C	C	.	.			trans	-155.7	123.7	-180	-175	-79.6	0	0	0	109.6	F712 E717 V718 R719	F712-N715 HydrophobicContact CD1-CB 4.25Å; F712-N715 HydrophobicContact CE1-CB 4.08Å; F712-N715 PolarHBondContact O-N 3.35Å; N715-E717 WeakPolarHBondContact OD1-CB 3.45Å; N715-E717 PolarHBondContact OD1-N 2.96Å; N715-E717 VanDerWaalsContact OD1-N 3.13Å; N715-V718 HydrophobicContact CB-CB 4.22Å; N715-V718 HydrophobicContact CB-CG2 3.99Å; N715-V718 WeakPolarHBondContact OD1-CG2 3.43Å; N715-V718 PolarHBondContact OD1-N 2.82Å; N715-R719 PolarHBondContact O-NE 3.03Å
716	D	93.2	Very high	95.4	Very high	83 Å²	83	32.2 Å²	32.2	44%	0.444	16%	0.159	S	C	.	.	H	α-helix	trans	-68	-45.7	177.7	56.8	-17.1	0	0	0	112.9	V718 R719 S720 V764	D716-V718 PolarHBondContact O-N 3.13Å; D716-R719 WeakPolarHBondContact O-CA 3.4Å; D716-R719 WeakPolarHBondContact O-CB 3.19Å; D716-R719 PolarHBondContact O-N 3.4Å; D716-S720 PolarHBondContact O-N 3.04Å; D716-V764 HydrophobicContact CB-CG2 3.98Å
717	E	94.3	Very high	95.4	Very high	124 Å²	124	32.6 Å²	32.6	58%	0.579	16%	0.162	S	C	*	.	H	α-helix	trans	-56.8	-37.8	177.7	-60.6	-171.6	161.3	0	0	112.3	A678 N715 R719 A721	A678-E717 HydrophobicContact CB-CB 4.1Å; N715-E717 WeakPolarHBondContact OD1-CB 3.45Å; N715-E717 PolarHBondContact OD1-N 2.96Å; N715-E717 VanDerWaalsContact OD1-N 3.13Å; E717-R719 VanDerWaalsContact C-N 3.35Å; E717-R719 PolarHBondContact O-N 3.14Å; E717-A721 WeakPolarHBondContact O-CB 3.34Å; E717-A721 PolarHBondContact O-N 3.12Å
718	V	95.8	Very high	95.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-41.8	174.4	169.4	0	0	0	0	111.3	K677 A678 L709 F712 N715 D716 A722	K677-V718 HydrophobicContact CD-CG2 4.19Å; K677-V718 HydrophobicContact CG-CG2 4.15Å; A678-V718 HydrophobicContact CB-CG2 3.85Å; L709-V718 HydrophobicContact CB-CG1 3.98Å; L709-V718 HydrophobicContact CD1-CG1 4.08Å; L709-V718 HydrophobicContact CD2-CG1 4.1Å; L709-V718 HydrophobicContact CG-CG1 4.26Å; F712-V718 HydrophobicContact CB-CG1 4.14Å; F712-V718 HydrophobicContact CD1-CB 3.98Å; F712-V718 HydrophobicContact CD1-CG1 3.68Å; F712-V718 HydrophobicContact CD1-CG2 4.31Å; F712-V718 HydrophobicContact CE1-CG1 4.42Å; F712-V718 HydrophobicContact CE1-CG2 4.41Å; F712-V718 HydrophobicContact CG-CG1 4.13Å; N715-V718 HydrophobicContact CB-CB 4.22Å; N715-V718 HydrophobicContact CB-CG2 3.99Å; N715-V718 WeakPolarHBondContact OD1-CG2 3.43Å; N715-V718 PolarHBondContact OD1-N 2.82Å; D716-V718 PolarHBondContact O-N 3.13Å; V718-A722 WeakPolarHBondContact O-CB 3.47Å; V718-A722 PolarHBondContact O-N 2.94Å
719	R	97.7	Very high	95.4	Very high	11 Å²	11	32 Å²	32	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-69.7	-47.1	179.7	-69.7	178	-70.1	156.3	5.9	110.9	L709 F712 N715 D716 E717 A722 A723 E759 V764	L709-R719 WeakPolarHBondContact O-CG 3.39Å; F712-R719 HydrophobicContact CB-CG 4.46Å; F712-R719 WeakPolarHBondContact O-CD 3.23Å; N715-R719 PolarHBondContact O-NE 3.03Å; D716-R719 WeakPolarHBondContact O-CA 3.4Å; D716-R719 WeakPolarHBondContact O-CB 3.19Å; D716-R719 PolarHBondContact O-N 3.4Å; E717-R719 VanDerWaalsContact C-N 3.35Å; E717-R719 PolarHBondContact O-N 3.14Å; R719-A722 WeakPolarHBondContact O-CB 3.44Å; R719-A722 PolarHBondContact O-N 3.19Å; R719-A723 PolarHBondContact O-N 3.23Å; R719-E759 IonicContact CZ-OE1 3.09Å; R719-E759 IonicContact CZ-OE2 3.58Å; R719-E759 IonicContact NH1-OE1 2.93Å; R719-E759 PolarHBondContact NH1-OE1 3.15Å; R719-E759 IonicContact NH1-OE2 3.2Å; R719-E759 PolarHBondContact NH1-OE2 3.32Å; R719-E759 IonicContact NH2-OE1 3.77Å; R719-V764 HydrophobicContact CB-CG1 3.94Å
720	S	97.9	Very high	95.5	Very high	23 Å²	23	31.4 Å²	31.4	16%	0.161	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-47.2	175	-69.8	0	0	0	0	111.9	D716 A722 A723 E724 D767	D716-S720 PolarHBondContact O-N 3.04Å; S720-A722 PolarHBondContact O-N 3.47Å; S720-A723 PolarHBondContact O-N 3.34Å; S720-E724 PolarHBondContact O-N 2.98Å; S720-D767 WeakPolarHBondContact CB-OD2 3.39Å; S720-D767 PolarHBondContact OG-OD2 2.75Å
721	A	97.5	Very high	95.4	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-39.5	176.5	0	0	0	0	0	112.2	C681 V685 E717 A723 E724 C725	C681-A721 HydrophobicContact CB-CB 3.76Å; V685-A721 HydrophobicContact CG2-CB 4.15Å; V685-A721 WeakPolarHBondContact CG2-O 3.24Å; E717-A721 WeakPolarHBondContact O-CB 3.34Å; E717-A721 PolarHBondContact O-N 3.12Å; A721-A723 VanDerWaalsContact C-N 3.31Å; A721-A723 PolarHBondContact O-N 3.47Å; A721-E724 PolarHBondContact O-N 3.4Å; A721-C725 WeakPolarHBondContact O-CB 3.5Å; A721-C725 PolarHBondContact O-N 3.09Å; A721-C725 VanDerWaalsContact O-N 3.1Å
722	A	98.4	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-44.4	175	0	0	0	0	0	111.1	M706 L709 L710 V718 R719 S720 L726	M706-A722 HydrophobicContact CB-CB 4.33Å; M706-A722 WeakPolarHBondContact O-CB 3.41Å; M706-A722 HydrophobicContact SD-CB 4.12Å; L709-A722 HydrophobicContact CB-CB 3.86Å; L710-A722 HydrophobicContact CD2-CB 4.15Å; V718-A722 WeakPolarHBondContact O-CB 3.47Å; V718-A722 PolarHBondContact O-N 2.94Å; R719-A722 WeakPolarHBondContact O-CB 3.44Å; R719-A722 PolarHBondContact O-N 3.19Å; S720-A722 PolarHBondContact O-N 3.47Å; A722-L726 VanDerWaalsContact O-CG 3.32Å; A722-L726 WeakPolarHBondContact O-CG 3.49Å
723	A	98.5	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-47.7	176.9	0	0	0	0	0	112.5	L710 R719 S720 A721 C725 L726 P727 H768 S771	L710-A723 HydrophobicContact CD2-CB 3.83Å; R719-A723 PolarHBondContact O-N 3.23Å; S720-A723 PolarHBondContact O-N 3.34Å; A721-A723 VanDerWaalsContact C-N 3.31Å; A721-A723 PolarHBondContact O-N 3.47Å; A723-C725 PolarHBondContact O-N 3.24Å; A723-C725 VanDerWaalsContact O-N 3.15Å; A723-L726 PolarHBondContact O-N 3.09Å; A723-P727 WeakPolarHBondContact O-CD 3.38Å; A723-H768 VanDerWaalsContact CB-CD2 3.41Å; A723-H768 WeakPolarHBondContact CB-CD2 3.48Å; A723-S771 VanDerWaalsContact O-CB 3.23Å; A723-S771 WeakPolarHBondContact O-CB 3.44Å; A723-S771 PolarHBondContact O-OG 3Å
724	E	98.3	Very high	96.1	Very high	72 Å²	72	29.8 Å²	29.8	34%	0.336	15%	0.148	S	C	.	.	H	α-helix	trans	-57	-32.7	178.9	-162.4	-167.4	155.5	0	0	111.7	Q682 V685 R689 S720 A721 P727 F728	Q682-E724 PolarHBondContact NE2-OE2 2.93Å; V685-E724 HydrophobicContact CG1-CB 4.15Å; V685-E724 HydrophobicContact CG1-CG 3.83Å; V685-E724 WeakPolarHBondContact CG1-OE1 3.5Å; V685-E724 HydrophobicContact CG2-CB 4.22Å; R689-E724 IonicContact NH1-OE1 3.86Å; R689-E724 PolarHBondContact NH1-OE1 3.44Å; S720-E724 PolarHBondContact O-N 2.98Å; A721-E724 PolarHBondContact O-N 3.4Å; E724-P727 WeakPolarHBondContact O-CD 3.41Å; E724-F728 HydrophobicContact CG-CE2 4.29Å; E724-F728 VanDerWaalsContact O-CD2 3.22Å; E724-F728 WeakPolarHBondContact O-CD2 3.31Å; E724-F728 VanDerWaalsContact O-CE2 3.29Å; E724-F728 WeakPolarHBondContact O-CE2 3.46Å
725	C	98.3	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69	-38.6	-177.7	-162.9	0	0	0	0	113.7	V685 M706 A721 A723 F728 L729	V685-C725 HydrophobicContact CG2-CB 3.81Å; M706-C725 HydrophobicContact CE-CB 4.04Å; M706-C725 HydrophobicContact CG-CB 4.15Å; A721-C725 WeakPolarHBondContact O-CB 3.5Å; A721-C725 PolarHBondContact O-N 3.09Å; A721-C725 VanDerWaalsContact O-N 3.1Å; A723-C725 PolarHBondContact O-N 3.24Å; A723-C725 VanDerWaalsContact O-N 3.15Å; C725-F728 PolarHBondContact O-N 3.06Å; C725-F728 VanDerWaalsContact O-N 3.16Å; C725-L729 WeakPolarHBondContact O-CG 3.31Å; C725-L729 PolarHBondContact O-N 2.87Å
726	L	98.4	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-44.8	-165.8	-53.2	175.8	0	0	0	114.5	L703 M706 V707 L710 A722 A723 F728 L729 L730 V748 L752	L703-L726 HydrophobicContact CD1-CD2 4.01Å; M706-L726 HydrophobicContact CB-CD2 3.98Å; V707-L726 HydrophobicContact CG2-CD2 4.1Å; L710-L726 HydrophobicContact CD1-CD1 4.14Å; A722-L726 VanDerWaalsContact O-CG 3.32Å; A722-L726 WeakPolarHBondContact O-CG 3.49Å; A723-L726 PolarHBondContact O-N 3.09Å; L726-F728 VanDerWaalsContact C-N 3.28Å; L726-F728 PolarHBondContact O-N 2.84Å; L726-L729 PolarHBondContact O-N 2.94Å; L726-L730 WeakPolarHBondContact O-CG 3.45Å; L726-L730 PolarHBondContact O-N 3.26Å; L726-V748 HydrophobicContact CB-CG1 4.17Å; L726-V748 HydrophobicContact CB-CG2 4.44Å; L726-V748 HydrophobicContact CD1-CG1 3.87Å; L726-V748 HydrophobicContact CD1-CG2 4.36Å; L726-V748 HydrophobicContact CD2-CG2 4.32Å; L726-L752 HydrophobicContact CD1-CD1 4.22Å; L726-L752 HydrophobicContact CD1-CD2 4.1Å; L726-L752 HydrophobicContact CD1-CG 4.11Å
727	P	97.8	Very high	96.7	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.045	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-37.3	178.8	-21.9	31.9	0	0	0	112.9	A723 E724 L730 S731 N774	A723-P727 WeakPolarHBondContact O-CD 3.38Å; E724-P727 WeakPolarHBondContact O-CD 3.41Å; P727-L730 PolarHBondContact O-N 3.49Å; P727-S731 WeakPolarHBondContact O-CB 3.48Å; P727-S731 PolarHBondContact O-N 3.22Å; P727-S731 PolarHBondContact O-OG 2.8Å; P727-N774 HydrophobicContact CB-CB 3.68Å; P727-N774 HydrophobicContact CG-CB 3.53Å
728	F	97.5	Very high	96.6	Very high	63 Å²	63	29.9 Å²	29.9	28%	0.276	16%	0.155	S	C	.	.	H	α-helix	trans	-68.4	-41.3	178.4	-58.4	-57.9	0	0	0	111.5	V685 A688 R689 E724 C725 L726 S731 S732	V685-F728 HydrophobicContact CG1-CE2 4.26Å; A688-F728 HydrophobicContact CB-CB 3.76Å; R689-F728 HydrophobicContact CB-CD1 4.27Å; R689-F728 HydrophobicContact CB-CD2 4.19Å; R689-F728 HydrophobicContact CB-CE1 4.17Å; R689-F728 HydrophobicContact CB-CE2 4.08Å; R689-F728 HydrophobicContact CB-CG 4.29Å; R689-F728 HydrophobicContact CB-CZ 4.08Å; R689-F728 HydrophobicContact CG-CD1 4.39Å; R689-F728 HydrophobicContact CG-CE1 3.89Å; R689-F728 HydrophobicContact CG-CE2 4.37Å; R689-F728 HydrophobicContact CG-CZ 3.88Å; E724-F728 HydrophobicContact CG-CE2 4.29Å; E724-F728 VanDerWaalsContact O-CD2 3.22Å; E724-F728 WeakPolarHBondContact O-CD2 3.31Å; E724-F728 VanDerWaalsContact O-CE2 3.29Å; E724-F728 WeakPolarHBondContact O-CE2 3.46Å; C725-F728 PolarHBondContact O-N 3.06Å; C725-F728 VanDerWaalsContact O-N 3.16Å; L726-F728 VanDerWaalsContact C-N 3.28Å; L726-F728 PolarHBondContact O-N 2.84Å; F728-S731 PolarHBondContact O-N 3.42Å; F728-S732 WeakPolarHBondContact O-CB 3.23Å; F728-S732 PolarHBondContact O-N 2.89Å
729	L	98	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-48.1	175.2	-57.1	-179.1	0	0	0	110.9	A688 F695 C699 V702 L703 C725 L726 S731 S732 M733	A688-L729 HydrophobicContact CB-CD2 3.95Å; F695-L729 HydrophobicContact CD1-CD2 3.96Å; F695-L729 HydrophobicContact CE1-CD2 3.91Å; C699-L729 HydrophobicContact CB-CD2 4.45Å; V702-L729 HydrophobicContact CB-CD1 4.21Å; V702-L729 HydrophobicContact CB-CD2 4.23Å; V702-L729 HydrophobicContact CG1-CD1 3.86Å; V702-L729 HydrophobicContact CG1-CD2 4.06Å; L703-L729 HydrophobicContact CB-CD1 4.21Å; L703-L729 HydrophobicContact CD1-CD1 4.17Å; C725-L729 WeakPolarHBondContact O-CG 3.31Å; C725-L729 PolarHBondContact O-N 2.87Å; L726-L729 PolarHBondContact O-N 2.94Å; L729-S731 VanDerWaalsContact C-N 3.35Å; L729-S731 PolarHBondContact O-N 2.77Å; L729-S732 PolarHBondContact O-N 3.48Å; L729-M733 WeakPolarHBondContact O-CB 3.19Å; L729-M733 VanDerWaalsContact O-CG 3.23Å; L729-M733 WeakPolarHBondContact O-CG 3.29Å; L729-M733 PolarHBondContact O-N 2.89Å
730	L	97.5	Very high	96.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-43.3	178.7	-70	171.9	0	0	0	111.7	L726 P727 M733 K734 A744 W745 V748 A778 V779	L726-L730 WeakPolarHBondContact O-CG 3.45Å; L726-L730 PolarHBondContact O-N 3.26Å; P727-L730 PolarHBondContact O-N 3.49Å; L730-M733 PolarHBondContact O-N 3.46Å; L730-K734 WeakPolarHBondContact O-CB 3.39Å; L730-K734 PolarHBondContact O-N 3.29Å; L730-A744 HydrophobicContact CD2-CB 3.83Å; L730-W745 HydrophobicContact CD1-CE3 4.01Å; L730-W745 HydrophobicContact CD2-CB 4.49Å; L730-V748 HydrophobicContact CD1-CB 4.4Å; L730-V748 HydrophobicContact CD1-CG1 4.09Å; L730-V748 HydrophobicContact CD1-CG2 4.38Å; L730-V748 HydrophobicContact CD2-CG2 4.46Å; L730-A778 HydrophobicContact CB-CB 4.3Å; L730-V779 HydrophobicContact CB-CG1 4.04Å; L730-V779 HydrophobicContact CD1-CG1 3.95Å; L730-V779 HydrophobicContact CD2-CG1 4.16Å; L730-V779 HydrophobicContact CG-CG1 4.28Å
731	S	96	Very high	96.3	Very high	49 Å²	49	37.6 Å²	37.6	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-46	176.5	-61.7	0	0	0	0	111.9	P727 F728 L729 K734 V735 A778	P727-S731 WeakPolarHBondContact O-CB 3.48Å; P727-S731 PolarHBondContact O-N 3.22Å; P727-S731 PolarHBondContact O-OG 2.8Å; F728-S731 PolarHBondContact O-N 3.42Å; L729-S731 VanDerWaalsContact C-N 3.35Å; L729-S731 PolarHBondContact O-N 2.77Å; S731-K734 PolarHBondContact O-N 3.11Å; S731-V735 PolarHBondContact O-N 3.15Å; S731-A778 WeakPolarHBondContact OG-CB 3.39Å
732	S	95.5	Very high	96.2	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-46.6	178	-168.2	0	0	0	0	111.7	K692 E693 A696 F728 L729 K734 V735 K736	K692-S732 WeakPolarHBondContact O-CB 3.25Å; K692-S732 PolarHBondContact O-OG 3.03Å; E693-S732 WeakPolarHBondContact CA-OG 3.28Å; A696-S732 PolarHBondContact N-OG 3.48Å; F728-S732 WeakPolarHBondContact O-CB 3.23Å; F728-S732 PolarHBondContact O-N 2.89Å; L729-S732 PolarHBondContact O-N 3.48Å; S732-K734 VanDerWaalsContact C-N 3.32Å; S732-K734 PolarHBondContact O-N 2.85Å; S732-V735 PolarHBondContact O-N 3.29Å; S732-K736 PolarHBondContact O-N 3.19Å; S732-K736 VanDerWaalsContact O-N 3.16Å
733	M	95.9	Very high	96.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-38	176.8	-69.7	177.7	78	0	0	111.6	C699 L729 L730 V735 K736 Q737 L740 V741 A744	C699-M733 HydrophobicContact CB-CG 3.51Å; C699-M733 HydrophobicContact CB-SD 3.85Å; L729-M733 WeakPolarHBondContact O-CB 3.19Å; L729-M733 VanDerWaalsContact O-CG 3.23Å; L729-M733 WeakPolarHBondContact O-CG 3.29Å; L729-M733 PolarHBondContact O-N 2.89Å; L730-M733 PolarHBondContact O-N 3.46Å; M733-V735 VanDerWaalsContact C-N 3.27Å; M733-V735 PolarHBondContact O-N 3.21Å; M733-K736 PolarHBondContact O-N 3.15Å; M733-Q737 CarbonylContact O-C 3.11Å; M733-Q737 VanDerWaalsContact O-CA 3.25Å; M733-Q737 WeakPolarHBondContact O-CA 3.44Å; M733-Q737 PolarHBondContact O-N 2.72Å; M733-L740 HydrophobicContact CE-CB 3.5Å; M733-L740 VanDerWaalsContact CE-CB 3.5Å; M733-L740 HydrophobicContact CE-CD1 4.24Å; M733-V741 HydrophobicContact CB-CG2 4.05Å; M733-A744 HydrophobicContact CE-CB 3.9Å; M733-A744 HydrophobicContact SD-CB 4.04Å
734	K	94.7	Very high	96	Very high	79 Å²	79	47.3 Å²	47.3	34%	0.343	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-37.2	178.2	-174.5	-179.6	-179.3	-174.6	0	113.4	L730 S731 S732 V741 A778 V779	L730-K734 WeakPolarHBondContact O-CB 3.39Å; L730-K734 PolarHBondContact O-N 3.29Å; S731-K734 PolarHBondContact O-N 3.11Å; S732-K734 VanDerWaalsContact C-N 3.32Å; S732-K734 PolarHBondContact O-N 2.85Å; K734-V741 VanDerWaalsContact CA-CG2 3.41Å; K734-V741 HydrophobicContact CB-CG2 4.06Å; K734-A778 WeakPolarHBondContact CD-O 3.34Å; K734-A778 WeakPolarHBondContact CE-O 3.22Å; K734-A778 PolarHBondContact NZ-O 3.09Å; K734-V779 VanDerWaalsContact CE-O 3.28Å; K734-V779 WeakPolarHBondContact CE-O 3.36Å; K734-V779 PolarHBondContact NZ-O 3.34Å
735	V	93.7	Very high	96	Very high	90 Å²	90	43.9 Å²	43.9	55%	0.545	23%	0.226	S	C	.	.	H	α-helix	trans	-80.7	-39.2	-179.9	-177.6	0	0	0	0	112.1	E693 S731 S732 M733	E693-V735 HydrophobicContact CB-CG1 4.49Å; E693-V735 HydrophobicContact CG-CB 3.96Å; E693-V735 HydrophobicContact CG-CG1 3.92Å; E693-V735 HydrophobicContact CG-CG2 4.15Å; S731-V735 PolarHBondContact O-N 3.15Å; S732-V735 PolarHBondContact O-N 3.29Å; M733-V735 VanDerWaalsContact C-N 3.27Å; M733-V735 PolarHBondContact O-N 3.21Å
736	K	94.8	Very high	95.9	Very high	128 Å²	128	48 Å²	48	56%	0.557	25%	0.245	S	C	*	.	H	α-helix	trans	-107.5	-24.9	-168.8	-65	-68.3	-173.8	172.6	0	115.6	E693 A696 S732 M733	E693-K736 HydrophobicContact CB-CD 4.42Å; E693-K736 HydrophobicContact CB-CG 3.97Å; E693-K736 WeakPolarHBondContact O-CG 3.37Å; A696-K736 HydrophobicContact CB-CB 3.51Å; A696-K736 HydrophobicContact CB-CG 3.82Å; S732-K736 PolarHBondContact O-N 3.19Å; S732-K736 VanDerWaalsContact O-N 3.16Å; M733-K736 PolarHBondContact O-N 3.15Å
737	Q	93.7	Very high	95.9	Very high	40 Å²	40	52 Å²	52	19%	0.187	26%	0.26	C	S	.	.			trans	-138.6	52.8	-174.6	-63.5	169.9	-1.5	0	0	110.9	A696 M733 E739 L740	A696-Q737 PolarHBondContact O-NE2 2.8Å; M733-Q737 CarbonylContact O-C 3.11Å; M733-Q737 VanDerWaalsContact O-CA 3.25Å; M733-Q737 WeakPolarHBondContact O-CA 3.44Å; M733-Q737 PolarHBondContact O-N 2.72Å; Q737-E739 VanDerWaalsContact C-OE2 3.29Å; Q737-E739 PolarHBondContact O-N 2.86Å; Q737-L740 HydrophobicContact CB-CB 4.47Å; Q737-L740 HydrophobicContact CB-CD1 4.2Å; Q737-L740 HydrophobicContact CB-CG 4.39Å; Q737-L740 PolarHBondContact O-N 3.38Å
738	P	93.2	Very high	95.9	Very high	60 Å²	60	51.6 Å²	51.6	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-22.7	-171.6	25.3	-36.1	0	0	0	114.2	L740 Y783	P738-L740 VanDerWaalsContact C-N 3.31Å; P738-Y783 PolarHBondContact O-OH 3.25Å
739	E	94.1	Very high	95.9	Very high	131 Å²	131	48.8 Å²	48.8	61%	0.612	25%	0.245	S	C	*	.	H	α-helix	trans	-68.9	-24.6	175.4	69.8	-73.9	174.7	0	0	113.9	Q737	Q737-E739 VanDerWaalsContact C-OE2 3.29Å; Q737-E739 PolarHBondContact O-N 2.86Å
740	L	94.8	Very high	95.8	Very high	66 Å²	66	56.1 Å²	56.1	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-93.6	-21.7	-179	-60.1	-176.1	0	0	0	113	M733 Q737 P738 K742 T743 A744	M733-L740 HydrophobicContact CE-CB 3.5Å; M733-L740 VanDerWaalsContact CE-CB 3.5Å; M733-L740 HydrophobicContact CE-CD1 4.24Å; Q737-L740 HydrophobicContact CB-CB 4.47Å; Q737-L740 HydrophobicContact CB-CD1 4.2Å; Q737-L740 HydrophobicContact CB-CG 4.39Å; Q737-L740 PolarHBondContact O-N 3.38Å; P738-L740 VanDerWaalsContact C-N 3.31Å; L740-K742 VanDerWaalsContact C-N 3.26Å; L740-K742 PolarHBondContact O-N 3.16Å; L740-T743 PolarHBondContact O-N 2.91Å; L740-T743 VanDerWaalsContact O-N 3.17Å; L740-A744 PolarHBondContact O-N 3.48Å
741	V	95.4	Very high	95.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.6	-40.6	-174.2	179.8	0	0	0	0	112.3	M733 K734 T743 A744 W745 V779 Y783	M733-V741 HydrophobicContact CB-CG2 4.05Å; K734-V741 VanDerWaalsContact CA-CG2 3.41Å; K734-V741 HydrophobicContact CB-CG2 4.06Å; V741-T743 PolarHBondContact O-N 3.13Å; V741-A744 PolarHBondContact O-N 2.94Å; V741-W745 VanDerWaalsContact O-CB 3.28Å; V741-W745 WeakPolarHBondContact O-CB 3.36Å; V741-W745 PolarHBondContact O-N 3.41Å; V741-V779 HydrophobicContact CG1-CG1 4.08Å; V741-Y783 HydrophobicContact CB-CD1 4.38Å; V741-Y783 HydrophobicContact CB-CE1 3.88Å; V741-Y783 HydrophobicContact CB-CE2 4.39Å; V741-Y783 HydrophobicContact CG1-CD1 4.1Å; V741-Y783 HydrophobicContact CG1-CD2 3.97Å; V741-Y783 HydrophobicContact CG1-CE1 3.99Å; V741-Y783 HydrophobicContact CG1-CE2 3.88Å; V741-Y783 HydrophobicContact CG1-CG 4.08Å
742	K	95.2	Very high	95.9	Very high	109 Å²	109	54.3 Å²	54.3	47%	0.474	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-49.7	-178.8	-176.3	177.8	173.1	-179.7	0	111.2	L740 W745 E746 Y783	L740-K742 VanDerWaalsContact C-N 3.26Å; L740-K742 PolarHBondContact O-N 3.16Å; K742-W745 PolarHBondContact O-N 3.24Å; K742-E746 WeakPolarHBondContact CE-OE1 3.37Å; K742-E746 WeakPolarHBondContact O-CG 3.27Å; K742-E746 PolarHBondContact O-N 3.33Å; K742-Y783 HydrophobicContact CB-CD1 3.84Å; K742-Y783 HydrophobicContact CB-CE1 4.11Å; K742-Y783 HydrophobicContact CG-CD1 4.44Å
743	T	96.4	Very high	96.1	Very high	94 Å²	94	55.3 Å²	55.3	58%	0.577	27%	0.27	S	S	*	.	H	α-helix	trans	-69.5	-37.1	-179.9	-56.9	0	0	0	0	111.5	L740 V741 R747	L740-T743 PolarHBondContact O-N 2.91Å; L740-T743 VanDerWaalsContact O-N 3.17Å; V741-T743 PolarHBondContact O-N 3.13Å; T743-R747 PolarHBondContact O-N 2.9Å
744	A	97.2	Very high	96.1	Very high	3 Å²	3	61 Å²	61	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-48.3	173.7	0	0	0	0	0	111.3	L703 L730 M733 L740 V741 R747 V748	L703-A744 HydrophobicContact CD2-CB 3.68Å; L730-A744 HydrophobicContact CD2-CB 3.83Å; M733-A744 HydrophobicContact CE-CB 3.9Å; M733-A744 HydrophobicContact SD-CB 4.04Å; L740-A744 PolarHBondContact O-N 3.48Å; V741-A744 PolarHBondContact O-N 2.94Å; A744-R747 PolarHBondContact O-N 3.48Å; A744-V748 WeakPolarHBondContact O-CG2 3.19Å; A744-V748 PolarHBondContact O-N 3.27Å
745	W	97.6	Very high	96.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-46.8	177.3	172.4	-118.6	0	0	0	112.5	L730 V741 K742 R747 V748 H749 L772 I776 V779 V784	L730-W745 HydrophobicContact CD1-CE3 4.01Å; L730-W745 HydrophobicContact CD2-CB 4.49Å; V741-W745 VanDerWaalsContact O-CB 3.28Å; V741-W745 WeakPolarHBondContact O-CB 3.36Å; V741-W745 PolarHBondContact O-N 3.41Å; K742-W745 PolarHBondContact O-N 3.24Å; W745-R747 PolarHBondContact O-N 2.73Å; W745-V748 HydrophobicContact CE3-CB 4.48Å; W745-V748 HydrophobicContact CE3-CG1 4.37Å; W745-V748 HydrophobicContact CZ3-CG1 4.33Å; W745-V748 PolarHBondContact O-N 3.42Å; W745-H749 HydrophobicContact CD2-CB 4.18Å; W745-H749 HydrophobicContact CE3-CB 4.3Å; W745-H749 HydrophobicContact CH2-CB 4Å; W745-H749 HydrophobicContact CZ2-CB 3.86Å; W745-H749 AromaticContact CZ2-CD2 3.73Å; W745-H749 HydrophobicContact CZ3-CB 4.2Å; W745-H749 WeakPolarHBondContact O-CB 3.48Å; W745-H749 PolarHBondContact O-N 3.27Å; W745-L772 HydrophobicContact CH2-CD1 4.09Å; W745-I776 HydrophobicContact CH2-CG1 3.74Å; W745-I776 HydrophobicContact CZ2-CG1 4.23Å; W745-V779 HydrophobicContact CB-CG1 4.2Å; W745-V779 HydrophobicContact CD2-CG1 4.31Å; W745-V779 HydrophobicContact CD2-CG2 3.99Å; W745-V779 HydrophobicContact CE3-CG1 4.2Å; W745-V779 HydrophobicContact CE3-CG2 4.26Å; W745-V779 HydrophobicContact CG-CG1 4.31Å; W745-V779 HydrophobicContact CG-CG2 4.29Å; W745-V784 HydrophobicContact CZ2-CG2 3.84Å
746	E	96.9	Very high	96.4	Very high	85 Å²	85	53.2 Å²	53.2	40%	0.397	25%	0.25	S	S	.	.	H	α-helix	trans	-54.7	-39.3	177.1	-77.2	170	179.7	0	0	111.9	K742 K750	K742-E746 WeakPolarHBondContact CE-OE1 3.37Å; K742-E746 WeakPolarHBondContact O-CG 3.27Å; K742-E746 PolarHBondContact O-N 3.33Å; E746-K750 WeakPolarHBondContact O-CB 3.39Å; E746-K750 PolarHBondContact O-N 3.37Å
747	R	97.5	Very high	96.4	Very high	84 Å²	84	50.5 Å²	50.5	32%	0.317	24%	0.244	S	C	.	.	H	α-helix	trans	-72.9	-46.9	176.4	-179.1	177.5	175.3	-173.1	-3.9	112.5	D704 V707 T743 A744 W745 S751	D704-R747 PolarHBondContact O-NH2 3.43Å; D704-R747 IonicContact OD1-CZ 2.82Å; D704-R747 IonicContact OD1-NH1 2.94Å; D704-R747 PolarHBondContact OD1-NH1 2.9Å; V707-R747 HydrophobicContact CG1-CG 4.02Å; V707-R747 HydrophobicContact CG2-CG 4.41Å; T743-R747 PolarHBondContact O-N 2.9Å; A744-R747 PolarHBondContact O-N 3.48Å; W745-R747 PolarHBondContact O-N 2.73Å; R747-S751 WeakPolarHBondContact O-CB 3.39Å; R747-S751 PolarHBondContact O-N 3.32Å; R747-S751 VanDerWaalsContact O-N 3.13Å; R747-S751 PolarHBondContact O-OG 3.29Å
748	V	98.1	Very high	96.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-53.2	179.9	166.3	0	0	0	0	110.6	L703 V707 L726 L730 A744 W745 K750 S751 L752	L703-V748 HydrophobicContact CD1-CG2 3.61Å; V707-V748 HydrophobicContact CG2-CG2 4.25Å; L726-V748 HydrophobicContact CB-CG1 4.17Å; L726-V748 HydrophobicContact CB-CG2 4.44Å; L726-V748 HydrophobicContact CD1-CG1 3.87Å; L726-V748 HydrophobicContact CD1-CG2 4.36Å; L726-V748 HydrophobicContact CD2-CG2 4.32Å; L730-V748 HydrophobicContact CD1-CB 4.4Å; L730-V748 HydrophobicContact CD1-CG1 4.09Å; L730-V748 HydrophobicContact CD1-CG2 4.38Å; L730-V748 HydrophobicContact CD2-CG2 4.46Å; A744-V748 WeakPolarHBondContact O-CG2 3.19Å; A744-V748 PolarHBondContact O-N 3.27Å; W745-V748 HydrophobicContact CE3-CB 4.48Å; W745-V748 HydrophobicContact CE3-CG1 4.37Å; W745-V748 HydrophobicContact CZ3-CG1 4.33Å; W745-V748 PolarHBondContact O-N 3.42Å; V748-K750 PolarHBondContact O-N 2.96Å; V748-S751 PolarHBondContact O-N 2.95Å; V748-S751 VanDerWaalsContact O-N 3.11Å; V748-L752 HydrophobicContact CG1-CD1 3.59Å; V748-L752 HydrophobicContact CG1-CG 4.23Å; V748-L752 PolarHBondContact O-N 2.97Å
749	H	97.2	Very high	96.6	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-50.5	-55.6	178.1	169.8	-89.9	0	0	0	111.6	W745 S751 L752 I753 Q788 E791	W745-H749 HydrophobicContact CD2-CB 4.18Å; W745-H749 HydrophobicContact CE3-CB 4.3Å; W745-H749 HydrophobicContact CH2-CB 4Å; W745-H749 HydrophobicContact CZ2-CB 3.86Å; W745-H749 AromaticContact CZ2-CD2 3.73Å; W745-H749 HydrophobicContact CZ3-CB 4.2Å; W745-H749 WeakPolarHBondContact O-CB 3.48Å; W745-H749 PolarHBondContact O-N 3.27Å; H749-S751 PolarHBondContact O-N 3.05Å; H749-L752 PolarHBondContact O-N 2.97Å; H749-I753 WeakPolarHBondContact O-CG1 3.36Å; H749-I753 PolarHBondContact O-N 2.84Å; H749-Q788 PolarHBondContact NE2-O 2.8Å; H749-E791 IonicContact CE1-OE2 2.68Å; H749-E791 PolarHBondContact CE1-OE2 3.16Å; H749-E791 IonicContact ND1-OE2 3.74Å
750	K	97.2	Very high	96.4	Very high	154 Å²	154	48.6 Å²	48.6	67%	0.67	24%	0.241	S	C	*	.	H	α-helix	trans	-60.2	-37.3	-177.7	-176.7	177.8	178.4	-179.4	0	112.2	E746 V748 R754	E746-K750 WeakPolarHBondContact O-CB 3.39Å; E746-K750 PolarHBondContact O-N 3.37Å; V748-K750 PolarHBondContact O-N 2.96Å; K750-R754 PolarHBondContact O-N 3.16Å
751	S	97.8	Very high	96.4	Very high	12 Å²	12	50.4 Å²	50.4	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-76.7	-40.1	-177.1	-49.7	0	0	0	0	111.5	V707 R747 V748 H749 R754 A755	V707-S751 WeakPolarHBondContact CG1-OG 3.1Å; R747-S751 WeakPolarHBondContact O-CB 3.39Å; R747-S751 PolarHBondContact O-N 3.32Å; R747-S751 VanDerWaalsContact O-N 3.13Å; R747-S751 PolarHBondContact O-OG 3.29Å; V748-S751 PolarHBondContact O-N 2.95Å; V748-S751 VanDerWaalsContact O-N 3.11Å; H749-S751 PolarHBondContact O-N 3.05Å; S751-R754 PolarHBondContact O-N 3.48Å; S751-A755 VanDerWaalsContact O-CB 3.3Å; S751-A755 WeakPolarHBondContact O-CB 3.47Å; S751-A755 PolarHBondContact O-N 3.49Å
752	L	98.2	Very high	96.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-44.3	174.9	-76.7	173	0	0	0	112.1	L710 L726 V748 H749 R754 A755 V756 L772	L710-L752 HydrophobicContact CD1-CD2 3.98Å; L710-L752 HydrophobicContact CD1-CG 4.3Å; L710-L752 HydrophobicContact CD2-CD2 4.14Å; L726-L752 HydrophobicContact CD1-CD1 4.22Å; L726-L752 HydrophobicContact CD1-CD2 4.1Å; L726-L752 HydrophobicContact CD1-CG 4.11Å; V748-L752 HydrophobicContact CG1-CD1 3.59Å; V748-L752 HydrophobicContact CG1-CG 4.23Å; V748-L752 PolarHBondContact O-N 2.97Å; H749-L752 PolarHBondContact O-N 2.97Å; L752-R754 VanDerWaalsContact C-N 3.31Å; L752-R754 PolarHBondContact O-N 3.42Å; L752-A755 PolarHBondContact O-N 3.4Å; L752-A755 VanDerWaalsContact O-N 3.16Å; L752-V756 VanDerWaalsContact O-CG2 3.29Å; L752-V756 WeakPolarHBondContact O-CG2 3.47Å; L752-V756 PolarHBondContact O-N 3.35Å; L752-L772 HydrophobicContact CD1-CB 4.2Å; L752-L772 HydrophobicContact CD1-CD1 4.34Å
753	I	97.8	Very high	96.2	Very high	24 Å²	24	50.8 Å²	50.8	12%	0.123	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-46.7	176.1	-65.9	-61.5	0	0	0	110.8	H749 T757 L772 I792 L795	H749-I753 WeakPolarHBondContact O-CG1 3.36Å; H749-I753 PolarHBondContact O-N 2.84Å; I753-T757 WeakPolarHBondContact O-CB 3.36Å; I753-T757 PolarHBondContact O-N 3.3Å; I753-T757 PolarHBondContact O-OG1 3.17Å; I753-L772 HydrophobicContact CD1-CD2 4.01Å; I753-I792 HydrophobicContact CD1-CG1 4Å; I753-L795 HydrophobicContact CD1-CB 4.17Å; I753-L795 HydrophobicContact CD1-CD2 3.5Å; I753-L795 VanDerWaalsContact CD1-CD2 3.5Å; I753-L795 HydrophobicContact CD1-CG 4.45Å
754	R	97.2	Very high	96.2	Very high	119 Å²	119	46.5 Å²	46.5	45%	0.449	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-47.6	174.6	-178.2	-178.7	68.8	-163.1	-8.1	112.2	D711 K750 S751 L752 T757 N758	D711-R754 IonicContact OD1-NE 2.7Å; D711-R754 PolarHBondContact OD1-NE 2.91Å; D711-R754 IonicContact OD2-CZ 3.81Å; D711-R754 IonicContact OD2-NE 3.77Å; D711-R754 PolarHBondContact OD2-NE 2.8Å; D711-R754 IonicContact OD2-NH2 3.82Å; D711-R754 PolarHBondContact OD2-NH2 3.45Å; K750-R754 PolarHBondContact O-N 3.16Å; S751-R754 PolarHBondContact O-N 3.48Å; L752-R754 VanDerWaalsContact C-N 3.31Å; L752-R754 PolarHBondContact O-N 3.42Å; R754-T757 PolarHBondContact O-N 2.95Å; R754-N758 WeakPolarHBondContact CG-ND2 3.48Å; R754-N758 PolarHBondContact O-N 3.35Å; R754-N758 VanDerWaalsContact O-N 3.15Å; R754-N758 PolarHBondContact O-ND2 3.05Å
755	A	97.1	Very high	96.3	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-51.7	-176.6	0	0	0	0	0	110.6	L710 S751 L752 T757 N758 E759	L710-A755 HydrophobicContact CB-CB 3.92Å; L710-A755 HydrophobicContact CD1-CB 4.4Å; S751-A755 VanDerWaalsContact O-CB 3.3Å; S751-A755 WeakPolarHBondContact O-CB 3.47Å; S751-A755 PolarHBondContact O-N 3.49Å; L752-A755 PolarHBondContact O-N 3.4Å; L752-A755 VanDerWaalsContact O-N 3.16Å; A755-T757 PolarHBondContact O-N 3.28Å; A755-N758 PolarHBondContact O-N 2.84Å; A755-E759 WeakPolarHBondContact O-CB 3.37Å; A755-E759 PolarHBondContact O-N 2.87Å
756	V	97.4	Very high	96.3	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-56.2	-37.7	176.2	-178.5	0	0	0	0	112	L752 V765 H768 L769 L795 L799	L752-V756 VanDerWaalsContact O-CG2 3.29Å; L752-V756 WeakPolarHBondContact O-CG2 3.47Å; L752-V756 PolarHBondContact O-N 3.35Å; V756-V765 HydrophobicContact CG1-CG1 4.15Å; V756-H768 HydrophobicContact CG2-CB 3.49Å; V756-H768 VanDerWaalsContact CG2-CB 3.49Å; V756-L769 HydrophobicContact CG1-CD2 4.02Å; V756-L769 HydrophobicContact CG1-CG 4.01Å; V756-L769 HydrophobicContact CG2-CD2 4.34Å; V756-L769 HydrophobicContact CG2-CG 4.3Å; V756-L795 HydrophobicContact CB-CD1 4.17Å; V756-L795 HydrophobicContact CB-CD2 4.1Å; V756-L795 HydrophobicContact CG1-CD1 3.82Å; V756-L795 HydrophobicContact CG1-CD2 4.02Å; V756-L795 HydrophobicContact CG1-CG 4.36Å; V756-L795 HydrophobicContact CG2-CD2 4.38Å; V756-L799 HydrophobicContact CG1-CD1 4.05Å
757	T	95.3	Very high	96.3	Very high	70 Å²	70	45.1 Å²	45.1	43%	0.429	22%	0.222	S	C	.	.	H	α-helix	trans	-71.8	-31.7	-176	-54.8	0	0	0	0	112.6	I753 R754 A755	I753-T757 WeakPolarHBondContact O-CB 3.36Å; I753-T757 PolarHBondContact O-N 3.3Å; I753-T757 PolarHBondContact O-OG1 3.17Å; R754-T757 PolarHBondContact O-N 2.95Å; A755-T757 PolarHBondContact O-N 3.28Å
758	N	94.1	Very high	96.3	Very high	89 Å²	89	41.1 Å²	41.1	48%	0.476	21%	0.206	S	C	.	.	H	α-helix	trans	-107.8	0.6	-173.2	-61.9	-29.1	0	0	0	113.2	R754 A755 P760	R754-N758 WeakPolarHBondContact CG-ND2 3.48Å; R754-N758 PolarHBondContact O-N 3.35Å; R754-N758 VanDerWaalsContact O-N 3.15Å; R754-N758 PolarHBondContact O-ND2 3.05Å; A755-N758 PolarHBondContact O-N 2.84Å; N758-P760 VanDerWaalsContact O-CD 3.32Å; N758-P760 WeakPolarHBondContact O-CD 3.18Å
759	E	95.9	Very high	96.4	Very high	15 Å²	15	41.1 Å²	41.1	7%	0.07	21%	0.206	C	C	.	.			trans	-75.2	119.2	-173.7	176.2	53.8	-113.1	0	0	110.8	R719 A755 E761 V764 V765 H768	R719-E759 IonicContact CZ-OE1 3.09Å; R719-E759 IonicContact CZ-OE2 3.58Å; R719-E759 IonicContact NH1-OE1 2.93Å; R719-E759 PolarHBondContact NH1-OE1 3.15Å; R719-E759 IonicContact NH1-OE2 3.2Å; R719-E759 PolarHBondContact NH1-OE2 3.32Å; R719-E759 IonicContact NH2-OE1 3.77Å; A755-E759 WeakPolarHBondContact O-CB 3.37Å; A755-E759 PolarHBondContact O-N 2.87Å; E759-E761 WeakPolarHBondContact CG-O 3.17Å; E759-E761 PolarHBondContact OE1-N 3.39Å; E759-V764 VanDerWaalsContact CD-CG1 3.48Å; E759-V764 HydrophobicContact CG-CB 3.83Å; E759-V764 HydrophobicContact CG-CG1 3.92Å; E759-V764 WeakPolarHBondContact OE2-CG1 3.42Å; E759-V765 HydrophobicContact CB-CG2 3.73Å; E759-V765 HydrophobicContact CG-CB 4.43Å; E759-V765 HydrophobicContact CG-CG2 3.59Å; E759-H768 IonicContact OE2-CE1 2.69Å
760	P	91.2	Very high	96.4	Very high	87 Å²	87	43.1 Å²	43.1	57%	0.565	22%	0.216	S	C	*	.			trans	-72.4	-33.9	177.9	27.3	-36.4	0	0	0	114.2	N758	N758-P760 VanDerWaalsContact O-CD 3.32Å; N758-P760 WeakPolarHBondContact O-CD 3.18Å
761	E	93.2	Very high	96.5	Very high	105 Å²	105	36 Å²	36	49%	0.491	19%	0.185	S	C	.	.			trans	-90.3	124.4	-172	-64	-60	156.3	0	0	111.6	E759 D763 V764 V765	E759-E761 WeakPolarHBondContact CG-O 3.17Å; E759-E761 PolarHBondContact OE1-N 3.39Å; E761-D763 PolarHBondContact O-N 3.31Å; E761-V764 HydrophobicContact CB-CB 4.07Å; E761-V764 HydrophobicContact CB-CG2 3.74Å; E761-V764 HydrophobicContact CG-CG2 4.5Å; E761-V764 PolarHBondContact O-N 3.04Å; E761-V765 WeakPolarHBondContact O-CG2 3.36Å; E761-V765 PolarHBondContact O-N 2.93Å
762	R	93.5	Very high	96.5	Very high	26 Å²	26	35.4 Å²	35.4	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-35.7	-174.1	-66.1	-63.2	-75.5	-179.2	-5.2	113.5	V764 V765 A766 E802 E833 D834 V837	R762-V764 VanDerWaalsContact C-N 3.33Å; R762-V765 WeakPolarHBondContact O-CB 3.28Å; R762-V765 PolarHBondContact O-N 3.3Å; R762-A766 PolarHBondContact O-N 3.15Å; R762-E802 IonicContact CZ-OE1 2.65Å; R762-E802 IonicContact CZ-OE2 2.71Å; R762-E802 IonicContact NH1-OE1 3.34Å; R762-E802 PolarHBondContact NH1-OE1 2.75Å; R762-E802 IonicContact NH1-OE2 3.16Å; R762-E802 PolarHBondContact NH1-OE2 2.75Å; R762-E833 HydrophobicContact CB-CB 4.31Å; R762-D834 IonicContact NH2-OD1 2.82Å; R762-D834 PolarHBondContact NH2-OD1 2.8Å; R762-V837 HydrophobicContact CB-CG2 4.37Å; R762-V837 WeakPolarHBondContact O-CG2 3.4Å
763	D	93.7	Very high	96.5	Very high	91 Å²	91	35.4 Å²	35.4	49%	0.487	18%	0.181	S	C	.	.	H	α-helix	trans	-66.6	-38.4	176.2	-70.6	-24.1	0	0	0	111.4	E761 A766 D767	E761-D763 PolarHBondContact O-N 3.31Å; D763-A766 WeakPolarHBondContact O-CB 3.37Å; D763-A766 PolarHBondContact O-N 3.06Å; D763-D767 PolarHBondContact O-N 2.89Å
764	V	96.9	Very high	96.4	Very high	4 Å²	4	37 Å²	37	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-71.2	-34.3	175.9	-172.9	0	0	0	0	111.3	D716 R719 E759 E761 R762 A766 D767 H768	D716-V764 HydrophobicContact CB-CG2 3.98Å; R719-V764 HydrophobicContact CB-CG1 3.94Å; E759-V764 VanDerWaalsContact CD-CG1 3.48Å; E759-V764 HydrophobicContact CG-CB 3.83Å; E759-V764 HydrophobicContact CG-CG1 3.92Å; E759-V764 WeakPolarHBondContact OE2-CG1 3.42Å; E761-V764 HydrophobicContact CB-CB 4.07Å; E761-V764 HydrophobicContact CB-CG2 3.74Å; E761-V764 HydrophobicContact CG-CG2 4.5Å; E761-V764 PolarHBondContact O-N 3.04Å; R762-V764 VanDerWaalsContact C-N 3.33Å; V764-A766 VanDerWaalsContact C-N 3.29Å; V764-A766 PolarHBondContact O-N 3.06Å; V764-D767 PolarHBondContact O-N 3.46Å; V764-H768 WeakPolarHBondContact O-CB 3.38Å; V764-H768 PolarHBondContact O-CD2 3.44Å; V764-H768 VanDerWaalsContact O-CG 3.24Å; V764-H768 PolarHBondContact O-N 3.39Å
765	V	97.8	Very high	96.5	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-47	168.7	169.3	0	0	0	0	110	V756 E759 E761 R762 H768 L769 V837	V756-V765 HydrophobicContact CG1-CG1 4.15Å; E759-V765 HydrophobicContact CB-CG2 3.73Å; E759-V765 HydrophobicContact CG-CB 4.43Å; E759-V765 HydrophobicContact CG-CG2 3.59Å; E761-V765 WeakPolarHBondContact O-CG2 3.36Å; E761-V765 PolarHBondContact O-N 2.93Å; R762-V765 WeakPolarHBondContact O-CB 3.28Å; R762-V765 PolarHBondContact O-N 3.3Å; V765-H768 PolarHBondContact O-N 3.09Å; V765-L769 HydrophobicContact CG1-CD1 4.01Å; V765-L769 WeakPolarHBondContact O-CB 3.1Å; V765-L769 WeakPolarHBondContact O-CG 3.17Å; V765-L769 PolarHBondContact O-N 2.86Å; V765-V837 HydrophobicContact CB-CG2 4.42Å; V765-V837 HydrophobicContact CG1-CG1 3.95Å; V765-V837 HydrophobicContact CG1-CG2 4.14Å
766	A	97.6	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-44	178.9	0	0	0	0	0	111.5	R762 D763 V764 H768 L769 Q770 Y836 V837 K840	R762-A766 PolarHBondContact O-N 3.15Å; D763-A766 WeakPolarHBondContact O-CB 3.37Å; D763-A766 PolarHBondContact O-N 3.06Å; V764-A766 VanDerWaalsContact C-N 3.29Å; V764-A766 PolarHBondContact O-N 3.06Å; A766-H768 PolarHBondContact O-N 3.08Å; A766-L769 PolarHBondContact O-N 2.8Å; A766-Q770 WeakPolarHBondContact O-CB 3.44Å; A766-Q770 PolarHBondContact O-N 2.87Å; A766-Y836 HydrophobicContact CB-CD1 3.56Å; A766-Y836 HydrophobicContact CB-CE1 3.45Å; A766-Y836 VanDerWaalsContact CB-CE1 3.45Å; A766-Y836 HydrophobicContact CB-CG 4.45Å; A766-V837 HydrophobicContact CB-CG2 4.28Å; A766-K840 HydrophobicContact CB-CG 3.8Å
767	D	97.9	Very high	96.3	Very high	55 Å²	55	33.9 Å²	33.9	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-41.6	176.1	-72.5	-19.2	0	0	0	112.6	S720 D763 V764 Q770 S771	S720-D767 WeakPolarHBondContact CB-OD2 3.39Å; S720-D767 PolarHBondContact OG-OD2 2.75Å; D763-D767 PolarHBondContact O-N 2.89Å; V764-D767 PolarHBondContact O-N 3.46Å; D767-Q770 PolarHBondContact O-N 2.82Å; D767-S771 WeakPolarHBondContact O-CB 3.4Å; D767-S771 PolarHBondContact O-N 3.4Å
768	H	98.4	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-41.5	176	-71.7	177.2	0	0	0	111.9	A723 V756 E759 V764 V765 A766 S771 L772	A723-H768 VanDerWaalsContact CB-CD2 3.41Å; A723-H768 WeakPolarHBondContact CB-CD2 3.48Å; V756-H768 HydrophobicContact CG2-CB 3.49Å; V756-H768 VanDerWaalsContact CG2-CB 3.49Å; E759-H768 IonicContact OE2-CE1 2.69Å; V764-H768 WeakPolarHBondContact O-CB 3.38Å; V764-H768 PolarHBondContact O-CD2 3.44Å; V764-H768 VanDerWaalsContact O-CG 3.24Å; V764-H768 PolarHBondContact O-N 3.39Å; V765-H768 PolarHBondContact O-N 3.09Å; A766-H768 PolarHBondContact O-N 3.08Å; H768-S771 PolarHBondContact O-N 2.92Å; H768-L772 PolarHBondContact O-N 3.13Å
769	L	98.3	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-42.5	173.7	-77.7	169.7	0	0	0	111.7	V756 V765 A766 S771 L772 A773 L795 L799 V837 K840 M841	V756-L769 HydrophobicContact CG1-CD2 4.02Å; V756-L769 HydrophobicContact CG1-CG 4.01Å; V756-L769 HydrophobicContact CG2-CD2 4.34Å; V756-L769 HydrophobicContact CG2-CG 4.3Å; V765-L769 HydrophobicContact CG1-CD1 4.01Å; V765-L769 WeakPolarHBondContact O-CB 3.1Å; V765-L769 WeakPolarHBondContact O-CG 3.17Å; V765-L769 PolarHBondContact O-N 2.86Å; A766-L769 PolarHBondContact O-N 2.8Å; L769-S771 VanDerWaalsContact C-N 3.31Å; L769-S771 PolarHBondContact O-N 2.98Å; L769-L772 WeakPolarHBondContact O-CB 3.18Å; L769-L772 PolarHBondContact O-N 3.48Å; L769-L772 VanDerWaalsContact O-N 3.16Å; L769-A773 PolarHBondContact O-N 3.17Å; L769-L795 HydrophobicContact CD2-CD2 4.32Å; L769-L799 HydrophobicContact CD1-CD1 3.93Å; L769-L799 HydrophobicContact CD2-CD1 3.94Å; L769-L799 HydrophobicContact CG-CD1 4.44Å; L769-V837 HydrophobicContact CD1-CG1 3.95Å; L769-K840 HydrophobicContact CB-CB 3.73Å; L769-K840 HydrophobicContact CD1-CB 4.19Å; L769-M841 HydrophobicContact CD1-CG 4Å
770	Q	98.1	Very high	96	Very high	45 Å²	45	26.8 Å²	26.8	21%	0.21	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.3	-175.8	66.9	76	0	0	111.2	A766 D767 L772 A773 N774 K840 D843	A766-Q770 WeakPolarHBondContact O-CB 3.44Å; A766-Q770 PolarHBondContact O-N 2.87Å; D767-Q770 PolarHBondContact O-N 2.82Å; Q770-L772 VanDerWaalsContact C-N 3.34Å; Q770-A773 PolarHBondContact O-N 3.39Å; Q770-N774 PolarHBondContact NE2-OD1 3.04Å; Q770-N774 WeakPolarHBondContact O-CB 3.43Å; Q770-N774 PolarHBondContact O-N 3.21Å; Q770-N774 PolarHBondContact O-ND2 3.03Å; Q770-N774 PolarHBondContact O-OD1 3.14Å; Q770-K840 HydrophobicContact CB-CD 4.31Å; Q770-D843 PolarHBondContact OE1-OD2 3.33Å
771	S	98.4	Very high	96.1	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-40.2	174.3	-178.5	0	0	0	0	112	A723 D767 H768 L769 S775	A723-S771 VanDerWaalsContact O-CB 3.23Å; A723-S771 WeakPolarHBondContact O-CB 3.44Å; A723-S771 PolarHBondContact O-OG 3Å; D767-S771 WeakPolarHBondContact O-CB 3.4Å; D767-S771 PolarHBondContact O-N 3.4Å; H768-S771 PolarHBondContact O-N 2.92Å; L769-S771 VanDerWaalsContact C-N 3.31Å; L769-S771 PolarHBondContact O-N 2.98Å; S771-S775 WeakPolarHBondContact O-CB 3.19Å; S771-S775 PolarHBondContact O-N 3.49Å; S771-S775 PolarHBondContact O-OG 2.97Å
772	L	98.5	Very high	96	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-49.4	175.2	179.3	61.9	0	0	0	111	W745 L752 I753 H768 L769 Q770 S775 I776 I792 L795 T844	W745-L772 HydrophobicContact CH2-CD1 4.09Å; L752-L772 HydrophobicContact CD1-CB 4.2Å; L752-L772 HydrophobicContact CD1-CD1 4.34Å; I753-L772 HydrophobicContact CD1-CD2 4.01Å; H768-L772 PolarHBondContact O-N 3.13Å; L769-L772 WeakPolarHBondContact O-CB 3.18Å; L769-L772 PolarHBondContact O-N 3.48Å; L769-L772 VanDerWaalsContact O-N 3.16Å; Q770-L772 VanDerWaalsContact C-N 3.34Å; L772-S775 PolarHBondContact O-N 3.46Å; L772-I776 HydrophobicContact CD1-CD1 4.23Å; L772-I776 HydrophobicContact CD1-CG1 4.49Å; L772-I776 HydrophobicContact CG-CD1 4.11Å; L772-I776 VanDerWaalsContact O-CG1 3.28Å; L772-I776 WeakPolarHBondContact O-CG1 3.3Å; L772-I776 PolarHBondContact O-N 3.1Å; L772-I792 HydrophobicContact CD2-CG1 4.44Å; L772-I792 HydrophobicContact CD2-CG2 4.35Å; L772-L795 HydrophobicContact CD2-CD2 4.17Å; L772-T844 HydrophobicContact CD2-CG2 4.21Å; L772-T844 HydrophobicContact CG-CG2 4.48Å
773	A	97.7	Very high	96	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-54.1	177.2	0	0	0	0	0	111.4	L769 Q770 S775 I776 E777 D843 S847	L769-A773 PolarHBondContact O-N 3.17Å; Q770-A773 PolarHBondContact O-N 3.39Å; A773-S775 VanDerWaalsContact C-N 3.26Å; A773-S775 PolarHBondContact O-N 3.35Å; A773-I776 WeakPolarHBondContact O-CB 3.5Å; A773-I776 PolarHBondContact O-N 2.99Å; A773-I776 VanDerWaalsContact O-N 3.11Å; A773-E777 PolarHBondContact O-N 3.37Å; A773-E777 VanDerWaalsContact O-N 3.13Å; A773-D843 HydrophobicContact CB-CB 4.38Å; A773-S847 WeakPolarHBondContact CA-OG 3.35Å; A773-S847 VanDerWaalsContact O-CB 3.31Å; A773-S847 WeakPolarHBondContact O-CB 3.37Å
774	N	97.2	Very high	96	Very high	58 Å²	58	25.6 Å²	25.6	31%	0.31	14%	0.135	S	C	.	.	H	α-helix	trans	-62.2	-34.6	-179.8	-67.7	-7.4	0	0	0	112	P727 Q770 E777 A778	P727-N774 HydrophobicContact CB-CB 3.68Å; P727-N774 HydrophobicContact CG-CB 3.53Å; Q770-N774 PolarHBondContact NE2-OD1 3.04Å; Q770-N774 WeakPolarHBondContact O-CB 3.43Å; Q770-N774 PolarHBondContact O-N 3.21Å; Q770-N774 PolarHBondContact O-ND2 3.03Å; Q770-N774 PolarHBondContact O-OD1 3.14Å; N774-E777 PolarHBondContact O-N 3.39Å; N774-A778 VanDerWaalsContact O-CB 3.25Å; N774-A778 WeakPolarHBondContact O-CB 3.12Å; N774-A778 PolarHBondContact O-N 2.95Å
775	S	97.9	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.4	-37.5	176.8	-65	0	0	0	0	112.2	S771 L772 A773 A778 V779	S771-S775 WeakPolarHBondContact O-CB 3.19Å; S771-S775 PolarHBondContact O-N 3.49Å; S771-S775 PolarHBondContact O-OG 2.97Å; L772-S775 PolarHBondContact O-N 3.46Å; A773-S775 VanDerWaalsContact C-N 3.26Å; A773-S775 PolarHBondContact O-N 3.35Å; S775-A778 PolarHBondContact O-N 3.26Å; S775-V779 WeakPolarHBondContact O-CG2 3.48Å; S775-V779 PolarHBondContact O-N 2.93Å
776	I	97.1	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-45.5	174.6	-69.8	162.7	0	0	0	110	W745 L772 A773 G780 I792 T844 I848 A851	W745-I776 HydrophobicContact CH2-CG1 3.74Å; W745-I776 HydrophobicContact CZ2-CG1 4.23Å; L772-I776 HydrophobicContact CD1-CD1 4.23Å; L772-I776 HydrophobicContact CD1-CG1 4.49Å; L772-I776 HydrophobicContact CG-CD1 4.11Å; L772-I776 VanDerWaalsContact O-CG1 3.28Å; L772-I776 WeakPolarHBondContact O-CG1 3.3Å; L772-I776 PolarHBondContact O-N 3.1Å; A773-I776 WeakPolarHBondContact O-CB 3.5Å; A773-I776 PolarHBondContact O-N 2.99Å; A773-I776 VanDerWaalsContact O-N 3.11Å; I776-G780 WeakPolarHBondContact O-CA 3.24Å; I776-G780 PolarHBondContact O-N 2.8Å; I776-I792 HydrophobicContact CD1-CD1 3.87Å; I776-I792 HydrophobicContact CG1-CD1 4.48Å; I776-T844 HydrophobicContact CD1-CG2 4.4Å; I776-I848 HydrophobicContact CD1-CG1 4.09Å; I776-I848 HydrophobicContact CG2-CG1 4.41Å; I776-A851 HydrophobicContact CG2-CB 4.33Å
777	E	93.5	Very high	95.4	Very high	58 Å²	58	38.3 Å²	38.3	27%	0.271	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-46.1	175.6	-63.9	-171.2	178.3	0	0	111.8	A773 N774 V779 G780 H846	A773-E777 PolarHBondContact O-N 3.37Å; A773-E777 VanDerWaalsContact O-N 3.13Å; N774-E777 PolarHBondContact O-N 3.39Å; E777-V779 PolarHBondContact O-N 3.07Å; E777-G780 PolarHBondContact O-N 3.19Å; E777-H846 IonicContact OE1-CD2 2.83Å
778	A	93.5	Very high	95.4	Very high	13 Å²	13	36.4 Å²	36.4	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-54.4	-50.1	179.3	0	0	0	0	0	111.6	L730 S731 K734 N774 S775	L730-A778 HydrophobicContact CB-CB 4.3Å; S731-A778 WeakPolarHBondContact OG-CB 3.39Å; K734-A778 WeakPolarHBondContact CD-O 3.34Å; K734-A778 WeakPolarHBondContact CE-O 3.22Å; K734-A778 PolarHBondContact NZ-O 3.09Å; N774-A778 VanDerWaalsContact O-CB 3.25Å; N774-A778 WeakPolarHBondContact O-CB 3.12Å; N774-A778 PolarHBondContact O-N 2.95Å; S775-A778 PolarHBondContact O-N 3.26Å
779	V	95.3	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-79.3	-37.2	-179.2	-56.2	0	0	0	0	112.1	L730 K734 V741 W745 S775 E777 Y783 V784	L730-V779 HydrophobicContact CB-CG1 4.04Å; L730-V779 HydrophobicContact CD1-CG1 3.95Å; L730-V779 HydrophobicContact CD2-CG1 4.16Å; L730-V779 HydrophobicContact CG-CG1 4.28Å; K734-V779 VanDerWaalsContact CE-O 3.28Å; K734-V779 WeakPolarHBondContact CE-O 3.36Å; K734-V779 PolarHBondContact NZ-O 3.34Å; V741-V779 HydrophobicContact CG1-CG1 4.08Å; W745-V779 HydrophobicContact CB-CG1 4.2Å; W745-V779 HydrophobicContact CD2-CG1 4.31Å; W745-V779 HydrophobicContact CD2-CG2 3.99Å; W745-V779 HydrophobicContact CE3-CG1 4.2Å; W745-V779 HydrophobicContact CE3-CG2 4.26Å; W745-V779 HydrophobicContact CG-CG1 4.31Å; W745-V779 HydrophobicContact CG-CG2 4.29Å; S775-V779 WeakPolarHBondContact O-CG2 3.48Å; S775-V779 PolarHBondContact O-N 2.93Å; E777-V779 PolarHBondContact O-N 3.07Å; V779-Y783 HydrophobicContact CB-CD2 4.18Å; V779-Y783 WeakPolarHBondContact O-CD2 3.19Å; V779-V784 HydrophobicContact CG2-CG2 3.67Å
780	G	90.9	Very high	95.1	Very high	13 Å²	13	38.6 Å²	38.6	13%	0.134	22%	0.218	C	C	.	.			trans	68.7	177.2	-175.6	0	0	0	0	0	114.1	I776 E777 T782 Y783	I776-G780 WeakPolarHBondContact O-CA 3.24Å; I776-G780 PolarHBondContact O-N 2.8Å; E777-G780 PolarHBondContact O-N 3.19Å; G780-T782 PolarHBondContact O-N 3.07Å; G780-Y783 PolarHBondContact O-N 2.57Å
781	K	92.1	Very high	95	Very high	110 Å²	110	40.8 Å²	40.8	48%	0.478	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18	-172.4	71.9	174.2	-174.5	178.2	0	116.4	Y783 A851 F852 E855	K781-Y783 VanDerWaalsContact C-N 3.26Å; K781-Y783 PolarHBondContact O-N 2.68Å; K781-A851 WeakPolarHBondContact CB-O 3.39Å; K781-F852 HydrophobicContact CB-CD1 3.93Å; K781-F852 HydrophobicContact CB-CD2 4.46Å; K781-F852 HydrophobicContact CB-CE1 3.76Å; K781-F852 HydrophobicContact CB-CE2 4.3Å; K781-F852 HydrophobicContact CB-CG 4.29Å; K781-F852 HydrophobicContact CB-CZ 3.97Å; K781-E855 IonicContact NZ-OE1 2.89Å
782	T	91.1	Very high	95	Very high	119 Å²	119	40.7 Å²	40.7	73%	0.73	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.6	-178.6	-57.3	0	0	0	0	112.3	G780	G780-T782 PolarHBondContact O-N 3.07Å
783	Y	93.5	Very high	94.9	Very high	46 Å²	46	42.6 Å²	42.6	18%	0.18	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-23.8	-173.3	-62.9	-82.3	0	0	0	113.7	P738 V741 K742 V779 G780 K781 T785 Q788	P738-Y783 PolarHBondContact O-OH 3.25Å; V741-Y783 HydrophobicContact CB-CD1 4.38Å; V741-Y783 HydrophobicContact CB-CE1 3.88Å; V741-Y783 HydrophobicContact CB-CE2 4.39Å; V741-Y783 HydrophobicContact CG1-CD1 4.1Å; V741-Y783 HydrophobicContact CG1-CD2 3.97Å; V741-Y783 HydrophobicContact CG1-CE1 3.99Å; V741-Y783 HydrophobicContact CG1-CE2 3.88Å; V741-Y783 HydrophobicContact CG1-CG 4.08Å; K742-Y783 HydrophobicContact CB-CD1 3.84Å; K742-Y783 HydrophobicContact CB-CE1 4.11Å; K742-Y783 HydrophobicContact CG-CD1 4.44Å; V779-Y783 HydrophobicContact CB-CD2 4.18Å; V779-Y783 WeakPolarHBondContact O-CD2 3.19Å; G780-Y783 PolarHBondContact O-N 2.57Å; K781-Y783 VanDerWaalsContact C-N 3.26Å; K781-Y783 PolarHBondContact O-N 2.68Å; Y783-T785 PolarHBondContact O-N 3.25Å; Y783-Q788 PolarHBondContact O-OE1 2.89Å
784	V	95.1	Very high	94.9	Very high	8 Å²	8	47 Å²	47	5%	0.048	26%	0.258	C	S	.	.			trans	-77.8	116.8	178.8	-177.2	0	0	0	0	110	W745 V779 Q788 L789 F852	W745-V784 HydrophobicContact CZ2-CG2 3.84Å; V779-V784 HydrophobicContact CG2-CG2 3.67Å; V784-Q788 HydrophobicContact CG1-CB 4.47Å; V784-L789 HydrophobicContact CG1-CD2 3.98Å; V784-L789 HydrophobicContact CG1-CG 3.93Å; V784-F852 HydrophobicContact CB-CE2 4.03Å; V784-F852 HydrophobicContact CB-CZ 3.74Å; V784-F852 HydrophobicContact CG1-CE2 4Å; V784-F852 HydrophobicContact CG1-CZ 3.86Å
785	T	93.4	Very high	94.9	Very high	56 Å²	56	44.6 Å²	44.6	34%	0.344	25%	0.245	S	C	.	.			trans	-86.7	162.7	-178.7	72.7	0	0	0	0	112.2	Y783 D787 Q788 L789	Y783-T785 PolarHBondContact O-N 3.25Å; T785-D787 VanDerWaalsContact C-N 3.26Å; T785-D787 PolarHBondContact O-N 3.18Å; T785-Q788 PolarHBondContact O-N 3.26Å; T785-Q788 WeakPolarHBondContact OG1-CG 3.38Å; T785-Q788 PolarHBondContact OG1-N 3.43Å; T785-L789 PolarHBondContact O-N 3.16Å
786	S	91.9	Very high	94.9	Very high	97 Å²	97	44.6 Å²	44.6	68%	0.678	25%	0.245	S	C	*	.	H	α-helix	trans	-63.1	-31.4	175.7	-53.8	0	0	0	0	113.4	A790	S786-A790 PolarHBondContact O-N 3.01Å; S786-A790 VanDerWaalsContact O-N 3.09Å
787	D	94.7	Very high	95	Very high	122 Å²	122	47.4 Å²	47.4	65%	0.652	26%	0.26	S	S	*	.	H	α-helix	trans	-69.4	-42.1	176.1	-65.2	-25	0	0	0	110.6	T785 L789 A790 E791	T785-D787 VanDerWaalsContact C-N 3.26Å; T785-D787 PolarHBondContact O-N 3.18Å; D787-L789 PolarHBondContact O-N 3.01Å; D787-A790 WeakPolarHBondContact O-CA 3.32Å; D787-A790 WeakPolarHBondContact O-CB 3.34Å; D787-A790 PolarHBondContact O-N 3.45Å; D787-E791 PolarHBondContact O-N 3.19Å
788	Q	96.3	Very high	95.1	Very high	15 Å²	15	49.4 Å²	49.4	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-42.1	174.4	-71	174.2	-32.9	0	0	111.9	H749 Y783 V784 T785 A790 E791 I792	H749-Q788 PolarHBondContact NE2-O 2.8Å; Y783-Q788 PolarHBondContact O-OE1 2.89Å; V784-Q788 HydrophobicContact CG1-CB 4.47Å; T785-Q788 PolarHBondContact O-N 3.26Å; T785-Q788 WeakPolarHBondContact OG1-CG 3.38Å; T785-Q788 PolarHBondContact OG1-N 3.43Å; Q788-A790 PolarHBondContact O-N 2.96Å; Q788-E791 PolarHBondContact O-N 3.34Å; Q788-E791 VanDerWaalsContact O-N 3.13Å; Q788-I792 WeakPolarHBondContact O-CG1 3.18Å; Q788-I792 PolarHBondContact O-N 3.47Å
789	L	95.3	Very high	95.3	Very high	20 Å²	20	49 Å²	49	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-35.7	171.7	-76.1	176	0	0	0	112.3	V784 T785 D787 R793 I848 F852 F859	V784-L789 HydrophobicContact CG1-CD2 3.98Å; V784-L789 HydrophobicContact CG1-CG 3.93Å; T785-L789 PolarHBondContact O-N 3.16Å; D787-L789 PolarHBondContact O-N 3.01Å; L789-R793 WeakPolarHBondContact O-CB 3.38Å; L789-R793 PolarHBondContact O-N 2.84Å; L789-I848 HydrophobicContact CD2-CD1 4.2Å; L789-I848 HydrophobicContact CD2-CG1 4.2Å; L789-I848 HydrophobicContact CD2-CG2 3.93Å; L789-F852 HydrophobicContact CD1-CD1 4.43Å; L789-F852 HydrophobicContact CD1-CE1 3.94Å; L789-F852 HydrophobicContact CD1-CE2 4.1Å; L789-F852 HydrophobicContact CD1-CZ 3.74Å; L789-F852 HydrophobicContact CD2-CE2 3.98Å; L789-F852 HydrophobicContact CD2-CZ 4.34Å; L789-F852 HydrophobicContact CG-CE2 4.4Å; L789-F852 HydrophobicContact CG-CZ 4.26Å; L789-F859 HydrophobicContact CB-CD2 4.43Å; L789-F859 WeakPolarHBondContact O-CD2 3.32Å; L789-F859 WeakPolarHBondContact O-CE2 3.34Å
790	A	95.9	Very high	95.4	Very high	27 Å²	27	49 Å²	49	22%	0.223	27%	0.265	C	S	.	.	H	α-helix	trans	-70.3	-36.4	176.4	0	0	0	0	0	112.4	S786 D787 Q788 R793 N794	S786-A790 PolarHBondContact O-N 3.01Å; S786-A790 VanDerWaalsContact O-N 3.09Å; D787-A790 WeakPolarHBondContact O-CA 3.32Å; D787-A790 WeakPolarHBondContact O-CB 3.34Å; D787-A790 PolarHBondContact O-N 3.45Å; Q788-A790 PolarHBondContact O-N 2.96Å; A790-R793 PolarHBondContact O-N 3.37Å; A790-R793 PolarHBondContact O-NH2 2.85Å; A790-N794 PolarHBondContact O-N 3Å; A790-N794 VanDerWaalsContact O-N 3.09Å; A790-N794 PolarHBondContact O-ND2 3Å; A790-N794 PolarHBondContact O-OD1 3.19Å
791	E	96.9	Very high	95.7	Very high	91 Å²	91	53.2 Å²	53.2	43%	0.425	28%	0.281	S	S	.	.	H	α-helix	trans	-65.4	-47.5	173.6	-71.3	178.2	-157.1	0	0	111.5	H749 D787 Q788 R793 N794 L795	H749-E791 IonicContact CE1-OE2 2.68Å; H749-E791 PolarHBondContact CE1-OE2 3.16Å; H749-E791 IonicContact ND1-OE2 3.74Å; D787-E791 PolarHBondContact O-N 3.19Å; Q788-E791 PolarHBondContact O-N 3.34Å; Q788-E791 VanDerWaalsContact O-N 3.13Å; E791-R793 VanDerWaalsContact C-N 3.27Å; E791-R793 PolarHBondContact O-N 2.89Å; E791-N794 PolarHBondContact O-N 3.35Å; E791-N794 VanDerWaalsContact O-N 3.12Å; E791-L795 PolarHBondContact O-N 3.11Å
792	I	97.7	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-40.5	175.4	-63.2	159	0	0	0	110.8	I753 L772 I776 Q788 N794 L795 L796 T844 I848 F859	I753-I792 HydrophobicContact CD1-CG1 4Å; L772-I792 HydrophobicContact CD2-CG1 4.44Å; L772-I792 HydrophobicContact CD2-CG2 4.35Å; I776-I792 HydrophobicContact CD1-CD1 3.87Å; I776-I792 HydrophobicContact CG1-CD1 4.48Å; Q788-I792 WeakPolarHBondContact O-CG1 3.18Å; Q788-I792 PolarHBondContact O-N 3.47Å; I792-N794 PolarHBondContact O-N 2.85Å; I792-L795 WeakPolarHBondContact O-CB 3.48Å; I792-L795 PolarHBondContact O-N 3.13Å; I792-L796 HydrophobicContact CG2-CD1 4.34Å; I792-L796 WeakPolarHBondContact O-CG 3.35Å; I792-L796 PolarHBondContact O-N 3.38Å; I792-T844 HydrophobicContact CG2-CG2 3.99Å; I792-I848 HydrophobicContact CG2-CD1 3.93Å; I792-F859 HydrophobicContact CG2-CE2 4.44Å; I792-F859 HydrophobicContact CG2-CZ 4.49Å
793	R	96.8	Very high	96.2	Very high	41 Å²	41	44.4 Å²	44.4	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-45.8	176.2	-172.9	-165.1	56.7	-111.1	-10.3	111.5	L789 A790 E791 L795 L796 D797 F859 Q862 L863	L789-R793 WeakPolarHBondContact O-CB 3.38Å; L789-R793 PolarHBondContact O-N 2.84Å; A790-R793 PolarHBondContact O-N 3.37Å; A790-R793 PolarHBondContact O-NH2 2.85Å; E791-R793 VanDerWaalsContact C-N 3.27Å; E791-R793 PolarHBondContact O-N 2.89Å; R793-L795 VanDerWaalsContact C-N 3.28Å; R793-L795 PolarHBondContact O-N 3.39Å; R793-L796 PolarHBondContact O-N 2.81Å; R793-D797 WeakPolarHBondContact O-CB 3.42Å; R793-D797 PolarHBondContact O-N 3.27Å; R793-F859 HydrophobicContact CB-CD2 3.72Å; R793-F859 HydrophobicContact CB-CE2 3.46Å; R793-F859 VanDerWaalsContact CB-CE2 3.46Å; R793-F859 HydrophobicContact CB-CZ 4.35Å; R793-F859 HydrophobicContact CG-CD2 4.2Å; R793-F859 HydrophobicContact CG-CE2 4.12Å; R793-Q862 VanDerWaalsContact CZ-OE1 3.28Å; R793-Q862 VanDerWaalsContact NE-OE1 3.13Å; R793-L863 HydrophobicContact CG-CD1 4.44Å; R793-L863 HydrophobicContact CG-CD2 3.94Å; R793-L863 HydrophobicContact CG-CG 4.06Å
794	N	97.1	Very high	96.3	Very high	93 Å²	93	42.4 Å²	42.4	50%	0.497	23%	0.225	S	C	.	.	H	α-helix	trans	-65.3	-34.9	-178.7	-64.9	-12.4	0	0	0	111.4	A790 E791 I792 H798	A790-N794 PolarHBondContact O-N 3Å; A790-N794 VanDerWaalsContact O-N 3.09Å; A790-N794 PolarHBondContact O-ND2 3Å; A790-N794 PolarHBondContact O-OD1 3.19Å; E791-N794 PolarHBondContact O-N 3.35Å; E791-N794 VanDerWaalsContact O-N 3.12Å; I792-N794 PolarHBondContact O-N 2.85Å; N794-H798 PolarHBondContact O-N 3.26Å; N794-H798 VanDerWaalsContact O-N 3.15Å
795	L	97.8	Very high	96.4	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-51.3	171.2	173.5	66.2	0	0	0	111.1	I753 V756 L769 L772 E791 I792 R793 D797 H798 L799	I753-L795 HydrophobicContact CD1-CB 4.17Å; I753-L795 HydrophobicContact CD1-CD2 3.5Å; I753-L795 VanDerWaalsContact CD1-CD2 3.5Å; I753-L795 HydrophobicContact CD1-CG 4.45Å; V756-L795 HydrophobicContact CB-CD1 4.17Å; V756-L795 HydrophobicContact CB-CD2 4.1Å; V756-L795 HydrophobicContact CG1-CD1 3.82Å; V756-L795 HydrophobicContact CG1-CD2 4.02Å; V756-L795 HydrophobicContact CG1-CG 4.36Å; V756-L795 HydrophobicContact CG2-CD2 4.38Å; L769-L795 HydrophobicContact CD2-CD2 4.32Å; L772-L795 HydrophobicContact CD2-CD2 4.17Å; E791-L795 PolarHBondContact O-N 3.11Å; I792-L795 WeakPolarHBondContact O-CB 3.48Å; I792-L795 PolarHBondContact O-N 3.13Å; R793-L795 VanDerWaalsContact C-N 3.28Å; R793-L795 PolarHBondContact O-N 3.39Å; L795-D797 VanDerWaalsContact C-N 3.32Å; L795-D797 PolarHBondContact O-N 3.01Å; L795-H798 WeakPolarHBondContact O-CB 3.4Å; L795-H798 PolarHBondContact O-N 3.37Å; L795-L799 HydrophobicContact CD1-CD1 4.13Å; L795-L799 HydrophobicContact CD1-CG 4.32Å; L795-L799 HydrophobicContact CG-CD1 4.06Å; L795-L799 WeakPolarHBondContact O-CG 3.38Å; L795-L799 PolarHBondContact O-N 3.43Å
796	L	98.1	Very high	96.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-37.6	179.7	-68.1	175	0	0	0	112.5	I792 R793 H798 L799 F800 M841 T844 V845 F859 L863	I792-L796 HydrophobicContact CG2-CD1 4.34Å; I792-L796 WeakPolarHBondContact O-CG 3.35Å; I792-L796 PolarHBondContact O-N 3.38Å; R793-L796 PolarHBondContact O-N 2.81Å; L796-H798 VanDerWaalsContact C-N 3.33Å; L796-H798 PolarHBondContact O-N 3.21Å; L796-L799 PolarHBondContact O-N 2.99Å; L796-F800 HydrophobicContact CB-CD2 4.47Å; L796-F800 HydrophobicContact CB-CE2 4.44Å; L796-F800 WeakPolarHBondContact O-CB 3.45Å; L796-F800 WeakPolarHBondContact O-CD2 3.4Å; L796-F800 PolarHBondContact O-N 3.15Å; L796-M841 HydrophobicContact CD2-CB 3.97Å; L796-M841 HydrophobicContact CD2-CG 4.02Å; L796-T844 HydrophobicContact CD1-CG2 4.33Å; L796-T844 HydrophobicContact CD2-CG2 4.48Å; L796-V845 HydrophobicContact CD1-CG2 3.84Å; L796-F859 HydrophobicContact CD1-CZ 3.84Å; L796-L863 HydrophobicContact CB-CD1 4.19Å; L796-L863 HydrophobicContact CB-CD2 4.26Å; L796-L863 HydrophobicContact CD1-CD1 3.9Å
797	D	97.4	Very high	96.5	Very high	58 Å²	58	43.5 Å²	43.5	31%	0.31	22%	0.215	S	C	.	.	H	α-helix	trans	-57.2	-46.8	174.4	-172.1	109	0	0	0	111.2	R793 L795 F800 H801 L863 F866	R793-D797 WeakPolarHBondContact O-CB 3.42Å; R793-D797 PolarHBondContact O-N 3.27Å; L795-D797 VanDerWaalsContact C-N 3.32Å; L795-D797 PolarHBondContact O-N 3.01Å; D797-F800 PolarHBondContact O-N 2.7Å; D797-H801 PolarHBondContact O-CD2 3.4Å; D797-H801 PolarHBondContact O-N 3.2Å; D797-H801 VanDerWaalsContact O-N 3.09Å; D797-H801 IonicContact OD2-CD2 2.78Å; D797-L863 HydrophobicContact CB-CD2 4.3Å; D797-F866 HydrophobicContact CB-CE2 4.29Å; D797-F866 WeakPolarHBondContact OD1-CE2 3.16Å
798	H	96.8	Very high	96.3	Very high	100 Å²	100	41.9 Å²	41.9	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-61.6	-47.5	175.3	179.7	53.2	0	0	0	112.4	N794 L795 L796 F800 H801 E802	N794-H798 PolarHBondContact O-N 3.26Å; N794-H798 VanDerWaalsContact O-N 3.15Å; L795-H798 WeakPolarHBondContact O-CB 3.4Å; L795-H798 PolarHBondContact O-N 3.37Å; L796-H798 VanDerWaalsContact C-N 3.33Å; L796-H798 PolarHBondContact O-N 3.21Å; H798-F800 PolarHBondContact O-N 3.23Å; H798-H801 WeakPolarHBondContact O-CB 3.48Å; H798-H801 PolarHBondContact O-N 2.89Å; H798-E802 PolarHBondContact O-N 3.12Å
799	L	97.8	Very high	96.1	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-36.1	-179.6	-67.7	173.1	0	0	0	112.8	V756 L769 L795 L796 H801 E802 H803 M841	V756-L799 HydrophobicContact CG1-CD1 4.05Å; L769-L799 HydrophobicContact CD1-CD1 3.93Å; L769-L799 HydrophobicContact CD2-CD1 3.94Å; L769-L799 HydrophobicContact CG-CD1 4.44Å; L795-L799 HydrophobicContact CD1-CD1 4.13Å; L795-L799 HydrophobicContact CD1-CG 4.32Å; L795-L799 HydrophobicContact CG-CD1 4.06Å; L795-L799 WeakPolarHBondContact O-CG 3.38Å; L795-L799 PolarHBondContact O-N 3.43Å; L796-L799 PolarHBondContact O-N 2.99Å; L799-H801 VanDerWaalsContact C-N 3.34Å; L799-E802 PolarHBondContact O-N 2.96Å; L799-H803 WeakPolarHBondContact O-CB 3.49Å; L799-H803 PolarHBondContact O-N 2.84Å; L799-M841 HydrophobicContact CB-CE 3.72Å; L799-M841 HydrophobicContact CB-CG 4.42Å; L799-M841 HydrophobicContact CB-SD 3.72Å; L799-M841 HydrophobicContact CD1-CG 4.2Å; L799-M841 HydrophobicContact CD1-SD 4.49Å
800	F	97.9	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-42.9	172.7	-84.6	-60.8	0	0	0	111.1	L796 D797 H798 E802 H803 F804 L838 M841 L863 F866 L870 L886	L796-F800 HydrophobicContact CB-CD2 4.47Å; L796-F800 HydrophobicContact CB-CE2 4.44Å; L796-F800 WeakPolarHBondContact O-CB 3.45Å; L796-F800 WeakPolarHBondContact O-CD2 3.4Å; L796-F800 PolarHBondContact O-N 3.15Å; D797-F800 PolarHBondContact O-N 2.7Å; H798-F800 PolarHBondContact O-N 3.23Å; F800-E802 VanDerWaalsContact C-N 3.35Å; F800-H803 PolarHBondContact O-N 3.03Å; F800-F804 HydrophobicContact CB-CE2 4.36Å; F800-F804 HydrophobicContact CD1-CE2 4.39Å; F800-F804 WeakPolarHBondContact O-CD2 3.23Å; F800-F804 PolarHBondContact O-N 3.18Å; F800-F804 VanDerWaalsContact O-N 3.11Å; F800-L838 HydrophobicContact CD1-CD1 4.36Å; F800-L838 HydrophobicContact CE1-CD1 3.72Å; F800-M841 HydrophobicContact CB-CE 4.12Å; F800-M841 HydrophobicContact CD1-CE 3.39Å; F800-M841 HydrophobicContact CD2-CE 3.56Å; F800-M841 HydrophobicContact CE1-CE 3.52Å; F800-M841 HydrophobicContact CE2-CE 3.69Å; F800-M841 HydrophobicContact CG-CE 3.4Å; F800-M841 HydrophobicContact CZ-CE 3.67Å; F800-L863 HydrophobicContact CD2-CD2 4.47Å; F800-F866 HydrophobicContact CB-CB 3.98Å; F800-F866 HydrophobicContact CB-CD1 3.77Å; F800-F866 HydrophobicContact CB-CD2 3.83Å; F800-F866 HydrophobicContact CB-CE1 4.14Å; F800-F866 HydrophobicContact CB-CE2 4.22Å; F800-F866 HydrophobicContact CB-CG 3.58Å; F800-F866 HydrophobicContact CB-CZ 4.36Å; F800-F866 HydrophobicContact CD1-CB 3.9Å; F800-F866 HydrophobicContact CD1-CG 4.44Å; F800-F866 HydrophobicContact CD2-CB 4.05Å; F800-F866 AromaticContact CD2-CD2 3.86Å; F800-F866 HydrophobicContact CD2-CD2 3.86Å; F800-F866 HydrophobicContact CD2-CG 4.11Å; F800-F866 HydrophobicContact CE1-CB 4.41Å; F800-F866 HydrophobicContact CG-CB 3.71Å; F800-F866 HydrophobicContact CG-CD1 4.44Å; F800-F866 HydrophobicContact CG-CD2 4Å; F800-F866 AromaticContact CG-CG 3.81Å; F800-F866 HydrophobicContact CG-CG 3.81Å; F800-L870 HydrophobicContact CE1-CD1 4.08Å; F800-L886 HydrophobicContact CZ-CD1 4.16Å
801	H	97	Very high	95.7	Very high	101 Å²	101	48.4 Å²	48.4	47%	0.468	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-47.3	174.7	-92.3	-64.9	0	0	0	111.9	D797 H798 L799 F804 E805 F866	D797-H801 PolarHBondContact O-CD2 3.4Å; D797-H801 PolarHBondContact O-N 3.2Å; D797-H801 VanDerWaalsContact O-N 3.09Å; D797-H801 IonicContact OD2-CD2 2.78Å; H798-H801 WeakPolarHBondContact O-CB 3.48Å; H798-H801 PolarHBondContact O-N 2.89Å; L799-H801 VanDerWaalsContact C-N 3.34Å; H801-F804 PolarHBondContact O-N 3.46Å; H801-E805 WeakPolarHBondContact O-CB 3.25Å; H801-E805 PolarHBondContact O-N 3.43Å; H801-F866 AromaticContact CD2-CE1 3.74Å; H801-F866 AromaticContact CD2-CZ 3.49Å; H801-F866 VanDerWaalsContact CD2-CZ 3.49Å; H801-F866 WeakPolarHBondContact CD2-CZ 3.49Å; H801-F866 AromaticContact CE1-CE1 3.89Å; H801-F866 AromaticContact NE2-CE1 3.61Å; H801-F866 AromaticContact NE2-CZ 3.45Å; H801-F866 WeakPolarHBondContact NE2-CZ 3.43Å
802	E	96	Very high	95.4	Very high	44 Å²	44	47 Å²	47	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-48.1	176.8	-169.3	-162.1	176	0	0	111.8	R762 H798 L799 F800 F804 E805 K806	R762-E802 IonicContact CZ-OE1 2.65Å; R762-E802 IonicContact CZ-OE2 2.71Å; R762-E802 IonicContact NH1-OE1 3.34Å; R762-E802 PolarHBondContact NH1-OE1 2.75Å; R762-E802 IonicContact NH1-OE2 3.16Å; R762-E802 PolarHBondContact NH1-OE2 2.75Å; H798-E802 PolarHBondContact O-N 3.12Å; L799-E802 PolarHBondContact O-N 2.96Å; F800-E802 VanDerWaalsContact C-N 3.35Å; E802-F804 VanDerWaalsContact C-N 3.32Å; E802-F804 PolarHBondContact O-N 3.21Å; E802-E805 PolarHBondContact O-N 3.26Å; E802-E805 VanDerWaalsContact O-N 3.16Å; E802-K806 HydrophobicContact CG-CD 4.22Å; E802-K806 HydrophobicContact CG-CG 4.46Å; E802-K806 WeakPolarHBondContact O-CG 3.21Å; E802-K806 PolarHBondContact O-N 3.02Å; E802-K806 WeakPolarHBondContact OE1-CE 3.32Å; E802-K806 IonicContact OE1-NZ 3.08Å; E802-K806 PolarHBondContact OE1-NZ 2.99Å
803	H	96.8	Very high	94.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-55.9	-45.4	177.9	172	76.1	0	0	0	112.1	L799 F800 S807 D834 D879	L799-H803 WeakPolarHBondContact O-CB 3.49Å; L799-H803 PolarHBondContact O-N 2.84Å; F800-H803 PolarHBondContact O-N 3.03Å; H803-S807 WeakPolarHBondContact O-CB 3.2Å; H803-S807 PolarHBondContact O-N 3.38Å; H803-D834 IonicContact CE1-OD2 3.57Å; H803-D834 IonicContact CG-OD1 3.51Å; H803-D834 IonicContact CG-OD2 2.57Å; H803-D834 VanDerWaalsContact ND1-CG 3.29Å; H803-D834 IonicContact ND1-OD1 2.68Å; H803-D834 PolarHBondContact ND1-OD1 3.38Å; H803-D834 IonicContact ND1-OD2 3.73Å; H803-D834 PolarHBondContact ND1-OD2 2.94Å; H803-D879 IonicContact CE1-OD1 2.76Å; H803-D879 IonicContact NE2-OD1 3.47Å; H803-D879 PolarHBondContact NE2-OD1 2.84Å; H803-D879 IonicContact NE2-OD2 3.66Å
804	F	96.6	Very high	94.6	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-68.3	-38.7	177.9	-70.5	-57.8	0	0	0	112.8	F800 H801 E802 S807 D808 F866 K869 L870 R875	F800-F804 HydrophobicContact CB-CE2 4.36Å; F800-F804 HydrophobicContact CD1-CE2 4.39Å; F800-F804 WeakPolarHBondContact O-CD2 3.23Å; F800-F804 PolarHBondContact O-N 3.18Å; F800-F804 VanDerWaalsContact O-N 3.11Å; H801-F804 PolarHBondContact O-N 3.46Å; E802-F804 VanDerWaalsContact C-N 3.32Å; E802-F804 PolarHBondContact O-N 3.21Å; F804-S807 WeakPolarHBondContact O-CB 3.5Å; F804-S807 PolarHBondContact O-N 3.12Å; F804-D808 PolarHBondContact O-N 3.15Å; F804-D808 VanDerWaalsContact O-N 3.09Å; F804-F866 HydrophobicContact CD2-CD1 4.08Å; F804-F866 HydrophobicContact CE2-CB 3.98Å; F804-F866 AromaticContact CE2-CD1 3.68Å; F804-F866 HydrophobicContact CE2-CD1 3.68Å; F804-F866 HydrophobicContact CE2-CG 4.26Å; F804-K869 HydrophobicContact CD1-CD 3.84Å; F804-K869 HydrophobicContact CD1-CG 4.33Å; F804-K869 HydrophobicContact CD2-CD 3.93Å; F804-K869 HydrophobicContact CE1-CB 4.3Å; F804-K869 HydrophobicContact CE1-CD 3.73Å; F804-K869 HydrophobicContact CE1-CG 3.8Å; F804-K869 HydrophobicContact CE2-CB 4.43Å; F804-K869 HydrophobicContact CE2-CD 3.86Å; F804-K869 HydrophobicContact CE2-CG 4.43Å; F804-K869 HydrophobicContact CG-CD 3.97Å; F804-K869 VanDerWaalsContact CG-NZ 3.3Å; F804-K869 HydrophobicContact CZ-CB 3.89Å; F804-K869 HydrophobicContact CZ-CD 3.75Å; F804-K869 HydrophobicContact CZ-CG 3.86Å; F804-L870 HydrophobicContact CE1-CD2 3.95Å; F804-L870 HydrophobicContact CZ-CD2 3.77Å; F804-L870 HydrophobicContact CZ-CG 4.01Å; F804-R875 VanDerWaalsContact CD1-CZ 3.5Å; F804-R875 VanDerWaalsContact CD1-NH2 3.32Å
805	E	95.6	Very high	94.2	Very high	120 Å²	120	54 Å²	54	56%	0.561	27%	0.267	S	S	*	.	H	α-helix	trans	-63.2	-50.5	176.8	-177.4	167.7	-156.3	0	0	111.1	H801 E802 S807 D808 E809	H801-E805 WeakPolarHBondContact O-CB 3.25Å; H801-E805 PolarHBondContact O-N 3.43Å; E802-E805 PolarHBondContact O-N 3.26Å; E802-E805 VanDerWaalsContact O-N 3.16Å; E805-S807 VanDerWaalsContact C-N 3.28Å; E805-S807 PolarHBondContact O-N 2.94Å; E805-D808 CarbonylContact O-C 3.49Å; E805-D808 WeakPolarHBondContact O-CA 3.47Å; E805-D808 WeakPolarHBondContact O-CB 3.42Å; E805-D808 PolarHBondContact O-N 3.18Å; E805-E809 WeakPolarHBondContact O-CG 3.4Å; E805-E809 PolarHBondContact O-N 3.49Å
806	K	94	Very high	93.5	Very high	55 Å²	55	57.5 Å²	57.5	24%	0.239	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-39.9	175.5	-71.7	-176.4	167.9	175.2	0	112.2	E802 D808 E809 R810	E802-K806 HydrophobicContact CG-CD 4.22Å; E802-K806 HydrophobicContact CG-CG 4.46Å; E802-K806 WeakPolarHBondContact O-CG 3.21Å; E802-K806 PolarHBondContact O-N 3.02Å; E802-K806 WeakPolarHBondContact OE1-CE 3.32Å; E802-K806 IonicContact OE1-NZ 3.08Å; E802-K806 PolarHBondContact OE1-NZ 2.99Å; K806-D808 VanDerWaalsContact C-N 3.29Å; K806-D808 PolarHBondContact O-N 2.93Å; K806-E809 PolarHBondContact O-N 3.34Å; K806-R810 WeakPolarHBondContact O-CG 3.41Å; K806-R810 PolarHBondContact O-N 3.48Å
807	S	93.4	Very high	92.6	Very high	8 Å²	8	65 Å²	65	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-39.1	173.4	176.4	0	0	0	0	112.9	H803 F804 E805 L811 R875	H803-S807 WeakPolarHBondContact O-CB 3.2Å; H803-S807 PolarHBondContact O-N 3.38Å; F804-S807 WeakPolarHBondContact O-CB 3.5Å; F804-S807 PolarHBondContact O-N 3.12Å; E805-S807 VanDerWaalsContact C-N 3.28Å; E805-S807 PolarHBondContact O-N 2.94Å; S807-L811 WeakPolarHBondContact O-CG 3.49Å; S807-L811 PolarHBondContact O-N 3.1Å; S807-R875 PolarHBondContact OG-NH1 3.29Å; S807-R875 VanDerWaalsContact OG-NH1 3.08Å; S807-R875 PolarHBondContact OG-NH2 2.82Å
808	D	92.2	Very high	91.6	Very high	89 Å²	89	63.6 Å²	63.6	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-74.9	-37.2	178.3	-70.9	-18.8	0	0	0	111.2	F804 E805 K806 L811 A812	F804-D808 PolarHBondContact O-N 3.15Å; F804-D808 VanDerWaalsContact O-N 3.09Å; E805-D808 CarbonylContact O-C 3.49Å; E805-D808 WeakPolarHBondContact O-CA 3.47Å; E805-D808 WeakPolarHBondContact O-CB 3.42Å; E805-D808 PolarHBondContact O-N 3.18Å; K806-D808 VanDerWaalsContact C-N 3.29Å; K806-D808 PolarHBondContact O-N 2.93Å; D808-L811 WeakPolarHBondContact O-CB 3.49Å; D808-L811 PolarHBondContact O-N 3.19Å; D808-A812 PolarHBondContact O-N 3.44Å
809	E	92	Very high	90.9	Very high	92 Å²	92	63.1 Å²	63.1	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-48	173	-71.6	177.9	167	0	0	111.7	E805 K806 L811 A812 Q813	E805-E809 WeakPolarHBondContact O-CG 3.4Å; E805-E809 PolarHBondContact O-N 3.49Å; K806-E809 PolarHBondContact O-N 3.34Å; E809-L811 VanDerWaalsContact C-N 3.25Å; E809-L811 PolarHBondContact O-N 3.21Å; E809-A812 CarbonylContact O-C 3.59Å; E809-A812 WeakPolarHBondContact O-CA 3.36Å; E809-A812 WeakPolarHBondContact O-CB 3.36Å; E809-A812 PolarHBondContact O-N 3.29Å; E809-Q813 WeakPolarHBondContact O-CG 3.48Å; E809-Q813 PolarHBondContact O-N 3.19Å
810	R	92.7	Very high	90.3	Very high	13 Å²	13	65 Å²	65	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-38.5	175.5	-70	-174	-64	-95.6	3.7	111.7	K806 Q813 R814 L827 D834	K806-R810 WeakPolarHBondContact O-CG 3.41Å; K806-R810 PolarHBondContact O-N 3.48Å; R810-Q813 PolarHBondContact O-N 3.36Å; R810-R814 WeakPolarHBondContact O-CG 3.33Å; R810-R814 PolarHBondContact O-N 2.91Å; R810-L827 HydrophobicContact CB-CD2 4.14Å; R810-L827 HydrophobicContact CG-CD2 3.93Å; R810-D834 IonicContact CZ-OD2 3.86Å; R810-D834 IonicContact NH1-OD2 2.98Å; R810-D834 PolarHBondContact NH1-OD2 3.42Å; R810-D834 IonicContact NH2-OD2 3.46Å; R810-D834 PolarHBondContact NH2-OD2 2.89Å
811	L	90.1	Very high	89.6	Confident	93 Å²	93	72.2 Å²	72.2	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-37.5	174.8	-73	170.9	0	0	0	112.4	S807 D808 E809	S807-L811 WeakPolarHBondContact O-CG 3.49Å; S807-L811 PolarHBondContact O-N 3.1Å; D808-L811 WeakPolarHBondContact O-CB 3.49Å; D808-L811 PolarHBondContact O-N 3.19Å; E809-L811 VanDerWaalsContact C-N 3.25Å; E809-L811 PolarHBondContact O-N 3.21Å
812	A	90.4	Very high	88.7	Confident	63 Å²	63	70.6 Å²	70.6	52%	0.521	34%	0.344	S	S	.	.	H	α-helix	trans	-69.1	-39.8	175.4	0	0	0	0	0	112	D808 E809 R814 Q815	D808-A812 PolarHBondContact O-N 3.44Å; E809-A812 CarbonylContact O-C 3.59Å; E809-A812 WeakPolarHBondContact O-CA 3.36Å; E809-A812 WeakPolarHBondContact O-CB 3.36Å; E809-A812 PolarHBondContact O-N 3.29Å; A812-R814 VanDerWaalsContact C-N 3.28Å; A812-R814 PolarHBondContact O-N 3.23Å; A812-Q815 WeakPolarHBondContact O-CA 3.34Å; A812-Q815 WeakPolarHBondContact O-CB 3.28Å; A812-Q815 PolarHBondContact O-N 2.81Å
813	Q	87	Confident	88.1	Confident	56 Å²	56	70.4 Å²	70.4	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-34.1	177.2	-70.5	-177.4	33.5	0	0	112.1	E809 R810 Q815 N816 L827	E809-Q813 WeakPolarHBondContact O-CG 3.48Å; E809-Q813 PolarHBondContact O-N 3.19Å; R810-Q813 PolarHBondContact O-N 3.36Å; Q813-Q815 PolarHBondContact O-N 3.19Å; Q813-Q815 VanDerWaalsContact O-N 3.13Å; Q813-N816 WeakPolarHBondContact O-CB 3.45Å; Q813-N816 PolarHBondContact O-N 3.02Å; Q813-L827 HydrophobicContact CB-CD1 4.26Å; Q813-L827 HydrophobicContact CB-CD2 4.03Å; Q813-L827 VanDerWaalsContact OE1-CD2 3.26Å
814	R	90.2	Very high	87.7	Confident	59 Å²	59	72.1 Å²	72.1	22%	0.223	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.4	171.1	-67.9	-178	176	106.4	-2.8	114.8	R810 A812 Y819 E824 L827	R810-R814 WeakPolarHBondContact O-CG 3.33Å; R810-R814 PolarHBondContact O-N 2.91Å; A812-R814 VanDerWaalsContact C-N 3.28Å; A812-R814 PolarHBondContact O-N 3.23Å; R814-Y819 HydrophobicContact CB-CD2 4.27Å; R814-Y819 HydrophobicContact CB-CE2 4.12Å; R814-Y819 HydrophobicContact CG-CD2 4.16Å; R814-Y819 HydrophobicContact CG-CE2 3.66Å; R814-E824 IonicContact CZ-OE1 3.37Å; R814-E824 IonicContact CZ-OE2 2.92Å; R814-E824 IonicContact NE-OE1 3.64Å; R814-E824 PolarHBondContact NE-OE1 3.47Å; R814-E824 IonicContact NE-OE2 3.54Å; R814-E824 PolarHBondContact NE-OE2 2.91Å; R814-E824 IonicContact NH2-OE1 3.83Å; R814-E824 PolarHBondContact NH2-OE1 2.94Å; R814-E824 IonicContact NH2-OE2 3.95Å; R814-L827 HydrophobicContact CG-CD1 3.74Å
815	Q	89.2	Confident	87.2	Confident	166 Å²	166	75.9 Å²	75.9	78%	0.776	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.5	174.3	-55.1	-60.5	-40.3	0	0	112.5	A812 Q813	A812-Q815 WeakPolarHBondContact O-CA 3.34Å; A812-Q815 WeakPolarHBondContact O-CB 3.28Å; A812-Q815 PolarHBondContact O-N 2.81Å; Q813-Q815 PolarHBondContact O-N 3.19Å; Q813-Q815 VanDerWaalsContact O-N 3.13Å
816	N	83.2	Confident	86.7	Confident	80 Å²	80	75 Å²	75	43%	0.428	36%	0.36	S	S	.	.	S	Bend	trans	-69.7	149.4	178	-162.9	-25.8	0	0	0	110.5	Q813 D818 Y819	Q813-N816 WeakPolarHBondContact O-CB 3.45Å; Q813-N816 PolarHBondContact O-N 3.02Å; N816-D818 PolarHBondContact O-N 2.91Å; N816-D818 PolarHBondContact OD1-N 3.45Å; N816-Y819 WeakPolarHBondContact O-CB 3.34Å; N816-Y819 PolarHBondContact O-N 2.88Å; N816-Y819 VanDerWaalsContact O-N 3.1Å
817	E	79.2	Confident	86.5	Confident	158 Å²	158	72.3 Å²	72.3	74%	0.738	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.1	-179.7	71.5	-172.8	161.4	0	0	113.6	R250	R250-E817 IonicContact CZ-OE1 3.88Å; R250-E817 IonicContact NH1-OE1 3.16Å; R250-E817 IonicContact NH2-OE1 3.95Å; R250-E817 PolarHBondContact NH2-OE1 3.08Å
818	D	75.5	Confident	86.5	Confident	28 Å²	28	75 Å²	75	15%	0.15	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.6	172.3	-77.5	-8.8	0	0	0	113.6	R250 A290 K294 N816 D820	R250-D818 IonicContact CZ-OD1 3.41Å; R250-D818 IonicContact CZ-OD2 3.93Å; R250-D818 IonicContact NE-OD1 2.98Å; R250-D818 IonicContact NE-OD2 3.32Å; R250-D818 PolarHBondContact NE-OD2 3.25Å; R250-D818 IonicContact NH1-OD2 2.57Å; R250-D818 PolarHBondContact NH1-OD2 2.96Å; R250-D818 IonicContact NH2-OD1 3.96Å; R250-D818 PolarHBondContact NH2-OD1 3.35Å; R250-D818 IonicContact NH2-OD2 3.21Å; R250-D818 PolarHBondContact NH2-OD2 3.32Å; A290-D818 HydrophobicContact CB-CB 4.17Å; A290-D818 WeakPolarHBondContact CB-O 3.44Å; K294-D818 IonicContact NZ-OD1 3.75Å; N816-D818 PolarHBondContact O-N 2.91Å; N816-D818 PolarHBondContact OD1-N 3.45Å; D818-D820 PolarHBondContact O-N 3.18Å; D818-D820 VanDerWaalsContact O-N 3.13Å
819	Y	83	Confident	86.3	Confident	91 Å²	91	73.7 Å²	73.7	36%	0.357	36%	0.36	S	S	.	.			trans	-61.6	118.7	177.5	178.8	-107.7	0	0	0	110.9	R814 N816 E823 E824 L827	R814-Y819 HydrophobicContact CB-CD2 4.27Å; R814-Y819 HydrophobicContact CB-CE2 4.12Å; R814-Y819 HydrophobicContact CG-CD2 4.16Å; R814-Y819 HydrophobicContact CG-CE2 3.66Å; N816-Y819 WeakPolarHBondContact O-CB 3.34Å; N816-Y819 PolarHBondContact O-N 2.88Å; N816-Y819 VanDerWaalsContact O-N 3.1Å; Y819-E823 HydrophobicContact CD2-CB 4.39Å; Y819-E823 HydrophobicContact CD2-CG 4.22Å; Y819-E824 HydrophobicContact CE2-CB 3.85Å; Y819-E824 WeakPolarHBondContact CE2-OE2 3.36Å; Y819-E824 VanDerWaalsContact CZ-OE2 3.29Å; Y819-E824 PolarHBondContact OH-OE2 3.29Å; Y819-L827 HydrophobicContact CD2-CD1 4.34Å; Y819-L827 HydrophobicContact CE2-CD1 4.17Å
820	D	83.6	Confident	86.3	Confident	43 Å²	43	72.1 Å²	72.1	23%	0.23	35%	0.352	C	S	.	.			trans	-140.3	-174	172.4	71.4	17.3	0	0	0	111	A290 R293 D818 F822 E823 E824	A290-D820 WeakPolarHBondContact CB-OD2 3.45Å; R293-D820 IonicContact CZ-OD1 3.64Å; R293-D820 IonicContact CZ-OD2 2.77Å; R293-D820 IonicContact NE-OD2 3.76Å; R293-D820 PolarHBondContact NE-OD2 3.16Å; R293-D820 IonicContact NH2-OD1 3.54Å; R293-D820 PolarHBondContact NH2-OD1 3.22Å; R293-D820 IonicContact NH2-OD2 3.8Å; R293-D820 PolarHBondContact NH2-OD2 2.64Å; D818-D820 PolarHBondContact O-N 3.18Å; D818-D820 VanDerWaalsContact O-N 3.13Å; D820-F822 VanDerWaalsContact C-N 3.29Å; D820-F822 PolarHBondContact O-N 3.03Å; D820-F822 PolarHBondContact OD1-N 3.2Å; D820-E823 PolarHBondContact O-N 3.2Å; D820-E823 PolarHBondContact OD1-N 2.9Å; D820-E823 VanDerWaalsContact OD1-N 3.1Å; D820-E824 PolarHBondContact O-N 3.47Å
821	E	83.2	Confident	86.3	Confident	152 Å²	152	73.1 Å²	73.1	71%	0.71	36%	0.357	S	S	*	.	H	α-helix	trans	-62.4	-33.6	-175.8	-171.5	173.7	-172.3	0	0	112.9	E824 E825	E821-E824 PolarHBondContact O-N 3.28Å; E821-E825 PolarHBondContact O-N 2.73Å; E821-E825 VanDerWaalsContact O-N 3.11Å
822	F	78.7	Confident	86.5	Confident	68 Å²	68	73.2 Å²	73.2	30%	0.298	36%	0.358	S	S	.	.	H	α-helix	trans	-75.4	-37.7	178.3	-67.4	-89.5	0	0	0	111.5	R293 D820 E824 E825 R826	R293-F822 VanDerWaalsContact NH1-CD2 3.29Å; R293-F822 VanDerWaalsContact NH1-CG 3.34Å; D820-F822 VanDerWaalsContact C-N 3.29Å; D820-F822 PolarHBondContact O-N 3.03Å; D820-F822 PolarHBondContact OD1-N 3.2Å; F822-E824 VanDerWaalsContact C-N 3.28Å; F822-E824 PolarHBondContact O-N 3.12Å; F822-E825 WeakPolarHBondContact O-CB 3.3Å; F822-E825 PolarHBondContact O-N 3.39Å; F822-E825 VanDerWaalsContact O-N 3.15Å; F822-R826 PolarHBondContact O-N 2.94Å
823	E	82.9	Confident	86.6	Confident	39 Å²	39	73.6 Å²	73.6	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-36	173	-175.1	62.1	-175.4	0	0	111.2	Y819 D820 R826 L827	Y819-E823 HydrophobicContact CD2-CB 4.39Å; Y819-E823 HydrophobicContact CD2-CG 4.22Å; D820-E823 PolarHBondContact O-N 3.2Å; D820-E823 PolarHBondContact OD1-N 2.9Å; D820-E823 VanDerWaalsContact OD1-N 3.1Å; E823-R826 PolarHBondContact O-N 2.91Å; E823-R826 IonicContact OE1-CZ 3.92Å; E823-R826 IonicContact OE1-NE 3.86Å; E823-R826 PolarHBondContact OE1-NE 3.41Å; E823-R826 IonicContact OE1-NH2 3.63Å; E823-R826 PolarHBondContact OE1-NH2 3.21Å; E823-R826 IonicContact OE2-CZ 3.6Å; E823-R826 IonicContact OE2-NE 3.88Å; E823-R826 PolarHBondContact OE2-NE 3.46Å; E823-R826 IonicContact OE2-NH2 2.73Å; E823-L827 HydrophobicContact CG-CD1 4.31Å; E823-L827 WeakPolarHBondContact O-CB 3.32Å; E823-L827 WeakPolarHBondContact O-CG 3.14Å; E823-L827 PolarHBondContact O-N 3.15Å
824	E	89.3	Confident	87	Confident	38 Å²	38	71.1 Å²	71.1	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-41.1	170.2	-175.9	62.1	-158.4	0	0	112.1	R814 Y819 D820 E821 F822 R826 L827 L828	R814-E824 IonicContact CZ-OE1 3.37Å; R814-E824 IonicContact CZ-OE2 2.92Å; R814-E824 IonicContact NE-OE1 3.64Å; R814-E824 PolarHBondContact NE-OE1 3.47Å; R814-E824 IonicContact NE-OE2 3.54Å; R814-E824 PolarHBondContact NE-OE2 2.91Å; R814-E824 IonicContact NH2-OE1 3.83Å; R814-E824 PolarHBondContact NH2-OE1 2.94Å; R814-E824 IonicContact NH2-OE2 3.95Å; Y819-E824 HydrophobicContact CE2-CB 3.85Å; Y819-E824 WeakPolarHBondContact CE2-OE2 3.36Å; Y819-E824 VanDerWaalsContact CZ-OE2 3.29Å; Y819-E824 PolarHBondContact OH-OE2 3.29Å; D820-E824 PolarHBondContact O-N 3.47Å; E821-E824 PolarHBondContact O-N 3.28Å; F822-E824 VanDerWaalsContact C-N 3.28Å; F822-E824 PolarHBondContact O-N 3.12Å; E824-R826 PolarHBondContact O-N 3.34Å; E824-L827 PolarHBondContact O-N 3.02Å; E824-L828 HydrophobicContact CG-CD1 4.09Å; E824-L828 HydrophobicContact CG-CG 4.35Å; E824-L828 WeakPolarHBondContact O-CB 3.33Å; E824-L828 WeakPolarHBondContact O-CG 3.19Å; E824-L828 PolarHBondContact O-N 2.95Å
825	E	85.5	Confident	87.2	Confident	83 Å²	83	69.4 Å²	69.4	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-43.3	175.4	-71.2	-173.7	-179.3	0	0	111.9	K389 E821 F822 L828 S829	K389-E825 IonicContact NZ-OE1 2.7Å; K389-E825 PolarHBondContact NZ-OE1 2.79Å; K389-E825 IonicContact NZ-OE2 3.61Å; K389-E825 PolarHBondContact NZ-OE2 3.44Å; E821-E825 PolarHBondContact O-N 2.73Å; E821-E825 VanDerWaalsContact O-N 3.11Å; F822-E825 WeakPolarHBondContact O-CB 3.3Å; F822-E825 PolarHBondContact O-N 3.39Å; F822-E825 VanDerWaalsContact O-N 3.15Å; E825-L828 PolarHBondContact O-N 3.28Å; E825-S829 PolarHBondContact O-N 2.82Å
826	R	85.2	Confident	87.5	Confident	100 Å²	100	66 Å²	66	38%	0.377	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-47.2	175.1	-166.5	-175.1	73.4	73.4	10.9	111.8	F822 E823 E824 L828 S829 E830	F822-R826 PolarHBondContact O-N 2.94Å; E823-R826 PolarHBondContact O-N 2.91Å; E823-R826 IonicContact OE1-CZ 3.92Å; E823-R826 IonicContact OE1-NE 3.86Å; E823-R826 PolarHBondContact OE1-NE 3.41Å; E823-R826 IonicContact OE1-NH2 3.63Å; E823-R826 PolarHBondContact OE1-NH2 3.21Å; E823-R826 IonicContact OE2-CZ 3.6Å; E823-R826 IonicContact OE2-NE 3.88Å; E823-R826 PolarHBondContact OE2-NE 3.46Å; E823-R826 IonicContact OE2-NH2 2.73Å; E824-R826 PolarHBondContact O-N 3.34Å; R826-L828 PolarHBondContact O-N 3.31Å; R826-S829 WeakPolarHBondContact O-CB 3.04Å; R826-S829 PolarHBondContact O-N 2.96Å; R826-S829 VanDerWaalsContact O-N 3.14Å; R826-E830 IonicContact CZ-OE1 3.15Å; R826-E830 IonicContact NH1-OE1 3.18Å; R826-E830 PolarHBondContact NH1-OE1 3.35Å; R826-E830 IonicContact NH2-OE1 2.64Å; R826-E830 PolarHBondContact O-N 3.12Å
827	L	90.7	Very high	88.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-29.1	176.9	-71.5	173.8	0	0	0	113.2	R810 Q813 R814 Y819 E823 E824 K831	R810-L827 HydrophobicContact CB-CD2 4.14Å; R810-L827 HydrophobicContact CG-CD2 3.93Å; Q813-L827 HydrophobicContact CB-CD1 4.26Å; Q813-L827 HydrophobicContact CB-CD2 4.03Å; Q813-L827 VanDerWaalsContact OE1-CD2 3.26Å; R814-L827 HydrophobicContact CG-CD1 3.74Å; Y819-L827 HydrophobicContact CD2-CD1 4.34Å; Y819-L827 HydrophobicContact CE2-CD1 4.17Å; E823-L827 HydrophobicContact CG-CD1 4.31Å; E823-L827 WeakPolarHBondContact O-CB 3.32Å; E823-L827 WeakPolarHBondContact O-CG 3.14Å; E823-L827 PolarHBondContact O-N 3.15Å; E824-L827 PolarHBondContact O-N 3.02Å; L827-K831 VanDerWaalsContact O-CB 3.24Å; L827-K831 WeakPolarHBondContact O-CB 3.3Å; L827-K831 PolarHBondContact O-N 3.23Å; L827-K831 VanDerWaalsContact O-N 3.17Å
828	L	91.7	Very high	89	Confident	65 Å²	65	54.6 Å²	54.6	34%	0.34	26%	0.257	S	S	.	.	H	α-helix	trans	-72.9	-40.8	172.8	-72.2	170.8	0	0	0	111	E824 E825 R826 K831 D832	E824-L828 HydrophobicContact CG-CD1 4.09Å; E824-L828 HydrophobicContact CG-CG 4.35Å; E824-L828 WeakPolarHBondContact O-CB 3.33Å; E824-L828 WeakPolarHBondContact O-CG 3.19Å; E824-L828 PolarHBondContact O-N 2.95Å; E825-L828 PolarHBondContact O-N 3.28Å; R826-L828 PolarHBondContact O-N 3.31Å; L828-K831 HydrophobicContact CD2-CD 4.27Å; L828-K831 WeakPolarHBondContact O-CB 3.26Å; L828-K831 PolarHBondContact O-N 3.11Å; L828-D832 VanDerWaalsContact O-CG 3.24Å; L828-D832 PolarHBondContact O-N 2.99Å
829	S	89.4	Confident	90.1	Very high	61 Å²	61	53.6 Å²	53.6	43%	0.427	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-49.8	173.3	-165.5	0	0	0	0	111.9	E825 R826 K831 D832 E833	E825-S829 PolarHBondContact O-N 2.82Å; R826-S829 WeakPolarHBondContact O-CB 3.04Å; R826-S829 PolarHBondContact O-N 2.96Å; R826-S829 VanDerWaalsContact O-N 3.14Å; S829-K831 PolarHBondContact O-N 3.24Å; S829-D832 PolarHBondContact O-N 3.24Å; S829-E833 PolarHBondContact O-N 3.22Å
830	E	91.3	Very high	90.8	Very high	58 Å²	58	50.6 Å²	50.6	27%	0.271	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-34.7	176.3	-71.3	-176.3	171.1	0	0	112.5	R826 D834	R826-E830 IonicContact CZ-OE1 3.15Å; R826-E830 IonicContact NH1-OE1 3.18Å; R826-E830 PolarHBondContact NH1-OE1 3.35Å; R826-E830 IonicContact NH2-OE1 2.64Å; R826-E830 PolarHBondContact O-N 3.12Å; E830-D834 VanDerWaalsContact O-CB 3.27Å; E830-D834 WeakPolarHBondContact O-CB 3.43Å; E830-D834 PolarHBondContact O-N 3.14Å; E830-D834 VanDerWaalsContact O-N 3.08Å
831	K	93.9	Very high	91.4	Very high	35 Å²	35	48.6 Å²	48.6	15%	0.152	23%	0.23	C	C	.	.	H	α-helix	trans	-68.3	-42.3	176.4	176	-162.5	152.5	-160.3	0	110.1	L827 L828 S829 D834 E835	L827-K831 VanDerWaalsContact O-CB 3.24Å; L827-K831 WeakPolarHBondContact O-CB 3.3Å; L827-K831 PolarHBondContact O-N 3.23Å; L827-K831 VanDerWaalsContact O-N 3.17Å; L828-K831 HydrophobicContact CD2-CD 4.27Å; L828-K831 WeakPolarHBondContact O-CB 3.26Å; L828-K831 PolarHBondContact O-N 3.11Å; S829-K831 PolarHBondContact O-N 3.24Å; K831-D834 PolarHBondContact O-N 2.64Å; K831-E835 WeakPolarHBondContact CE-OE1 3.33Å; K831-E835 WeakPolarHBondContact CG-OE1 3.46Å; K831-E835 IonicContact NZ-OE1 2.91Å; K831-E835 WeakPolarHBondContact O-CB 3.35Å; K831-E835 VanDerWaalsContact O-CG 3.24Å; K831-E835 WeakPolarHBondContact O-CG 3.22Å; K831-E835 PolarHBondContact O-N 3.18Å
832	D	93.6	Very high	92.1	Very high	94 Å²	94	41.7 Å²	41.7	50%	0.503	20%	0.198	S	C	.	.	H	α-helix	trans	-65.5	-40.6	179.2	-66.8	-11.7	0	0	0	111.2	L828 S829 E835 Y836	L828-D832 VanDerWaalsContact O-CG 3.24Å; L828-D832 PolarHBondContact O-N 2.99Å; S829-D832 PolarHBondContact O-N 3.24Å; D832-E835 PolarHBondContact O-N 3.36Å; D832-Y836 WeakPolarHBondContact O-CB 3.11Å; D832-Y836 PolarHBondContact O-N 3.47Å
833	E	92.8	Very high	92.9	Very high	72 Å²	72	40.5 Å²	40.5	34%	0.336	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-44.5	172.2	-70.7	166.6	-149.2	0	0	112.2	R762 S829 E835 Y836 V837	R762-E833 HydrophobicContact CB-CB 4.31Å; S829-E833 PolarHBondContact O-N 3.22Å; E833-E835 VanDerWaalsContact C-N 3.34Å; E833-Y836 WeakPolarHBondContact O-CB 3.11Å; E833-Y836 PolarHBondContact O-N 3.19Å; E833-V837 PolarHBondContact O-N 3.31Å
834	D	94.4	Very high	93.6	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-36.3	178.3	-170.6	33.3	0	0	0	112.2	R762 H803 R810 E830 K831 V837 L838	R762-D834 IonicContact NH2-OD1 2.82Å; R762-D834 PolarHBondContact NH2-OD1 2.8Å; H803-D834 IonicContact CE1-OD2 3.57Å; H803-D834 IonicContact CG-OD1 3.51Å; H803-D834 IonicContact CG-OD2 2.57Å; H803-D834 VanDerWaalsContact ND1-CG 3.29Å; H803-D834 IonicContact ND1-OD1 2.68Å; H803-D834 PolarHBondContact ND1-OD1 3.38Å; H803-D834 IonicContact ND1-OD2 3.73Å; H803-D834 PolarHBondContact ND1-OD2 2.94Å; R810-D834 IonicContact CZ-OD2 3.86Å; R810-D834 IonicContact NH1-OD2 2.98Å; R810-D834 PolarHBondContact NH1-OD2 3.42Å; R810-D834 IonicContact NH2-OD2 3.46Å; R810-D834 PolarHBondContact NH2-OD2 2.89Å; E830-D834 VanDerWaalsContact O-CB 3.27Å; E830-D834 WeakPolarHBondContact O-CB 3.43Å; E830-D834 PolarHBondContact O-N 3.14Å; E830-D834 VanDerWaalsContact O-N 3.08Å; K831-D834 PolarHBondContact O-N 2.64Å; D834-V837 PolarHBondContact O-N 3.11Å; D834-L838 PolarHBondContact O-N 3.27Å
835	E	94.2	Very high	94	Very high	24 Å²	24	37 Å²	37	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-37.2	171.7	-76.3	176.6	-171.5	0	0	112.3	K831 D832 E833 L838 S839 S878	K831-E835 WeakPolarHBondContact CE-OE1 3.33Å; K831-E835 WeakPolarHBondContact CG-OE1 3.46Å; K831-E835 IonicContact NZ-OE1 2.91Å; K831-E835 WeakPolarHBondContact O-CB 3.35Å; K831-E835 VanDerWaalsContact O-CG 3.24Å; K831-E835 WeakPolarHBondContact O-CG 3.22Å; K831-E835 PolarHBondContact O-N 3.18Å; D832-E835 PolarHBondContact O-N 3.36Å; E833-E835 VanDerWaalsContact C-N 3.34Å; E835-L838 PolarHBondContact O-N 3Å; E835-S839 PolarHBondContact O-N 3.37Å; E835-S878 WeakPolarHBondContact OE1-CB 3.27Å; E835-S878 PolarHBondContact OE1-OG 3.4Å; E835-S878 VanDerWaalsContact OE2-CB 3.24Å; E835-S878 WeakPolarHBondContact OE2-CB 3.44Å
836	Y	95.8	Very high	94.5	Very high	93 Å²	93	34.3 Å²	34.3	37%	0.365	17%	0.166	S	C	.	.	H	α-helix	trans	-63.5	-43.6	174.9	-172.6	-127.6	0	0	0	111	A766 D832 E833 L838 S839 K840	A766-Y836 HydrophobicContact CB-CD1 3.56Å; A766-Y836 HydrophobicContact CB-CE1 3.45Å; A766-Y836 VanDerWaalsContact CB-CE1 3.45Å; A766-Y836 HydrophobicContact CB-CG 4.45Å; D832-Y836 WeakPolarHBondContact O-CB 3.11Å; D832-Y836 PolarHBondContact O-N 3.47Å; E833-Y836 WeakPolarHBondContact O-CB 3.11Å; E833-Y836 PolarHBondContact O-N 3.19Å; Y836-L838 PolarHBondContact O-N 3.45Å; Y836-S839 WeakPolarHBondContact O-CB 3.36Å; Y836-S839 PolarHBondContact O-N 3.47Å; Y836-S839 PolarHBondContact O-OG 3Å; Y836-K840 PolarHBondContact O-N 3.21Å
837	V	97.5	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-43	172.7	174.9	0	0	0	0	111.7	R762 V765 A766 L769 E833 D834 S839 K840 M841	R762-V837 HydrophobicContact CB-CG2 4.37Å; R762-V837 WeakPolarHBondContact O-CG2 3.4Å; V765-V837 HydrophobicContact CB-CG2 4.42Å; V765-V837 HydrophobicContact CG1-CG1 3.95Å; V765-V837 HydrophobicContact CG1-CG2 4.14Å; A766-V837 HydrophobicContact CB-CG2 4.28Å; L769-V837 HydrophobicContact CD1-CG1 3.95Å; E833-V837 PolarHBondContact O-N 3.31Å; D834-V837 PolarHBondContact O-N 3.11Å; V837-S839 VanDerWaalsContact C-N 3.26Å; V837-S839 PolarHBondContact O-N 2.96Å; V837-K840 PolarHBondContact O-N 3.39Å; V837-M841 HydrophobicContact CG1-CG 4.45Å; V837-M841 HydrophobicContact CG1-SD 4.22Å; V837-M841 WeakPolarHBondContact O-CG 3.28Å; V837-M841 PolarHBondContact O-N 2.9Å
838	L	97.6	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.6	-38.2	175.8	178.7	62	0	0	0	111.9	F800 D834 E835 Y836 K840 M841 C842 L870 W882	F800-L838 HydrophobicContact CD1-CD1 4.36Å; F800-L838 HydrophobicContact CE1-CD1 3.72Å; D834-L838 PolarHBondContact O-N 3.27Å; E835-L838 PolarHBondContact O-N 3Å; Y836-L838 PolarHBondContact O-N 3.45Å; L838-K840 VanDerWaalsContact C-N 3.32Å; L838-K840 PolarHBondContact O-N 2.57Å; L838-M841 HydrophobicContact CD1-CE 4.49Å; L838-M841 HydrophobicContact CD1-SD 4.39Å; L838-M841 WeakPolarHBondContact O-CB 3.38Å; L838-M841 PolarHBondContact O-N 2.94Å; L838-C842 PolarHBondContact O-N 3.48Å; L838-C842 PolarHBondContact O-SG 3.38Å; L838-L870 HydrophobicContact CD1-CD1 4.45Å; L838-L870 HydrophobicContact CD2-CD2 4.18Å; L838-W882 HydrophobicContact CD2-CB 3.92Å; L838-W882 HydrophobicContact CD2-CG 4.17Å; L838-W882 HydrophobicContact CG-CB 4.08Å; L838-W882 HydrophobicContact CG-CG 4.19Å
839	S	96.7	Very high	95.5	Very high	7 Å²	7	26.4 Å²	26.4	5%	0.049	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-42.5	174	82.2	0	0	0	0	111.8	E835 Y836 V837 C842 D843 W882	E835-S839 PolarHBondContact O-N 3.37Å; Y836-S839 WeakPolarHBondContact O-CB 3.36Å; Y836-S839 PolarHBondContact O-N 3.47Å; Y836-S839 PolarHBondContact O-OG 3Å; V837-S839 VanDerWaalsContact C-N 3.26Å; V837-S839 PolarHBondContact O-N 2.96Å; S839-C842 CarbonylContact O-C 3.58Å; S839-C842 WeakPolarHBondContact O-CA 3.16Å; S839-C842 VanDerWaalsContact O-CB 3.31Å; S839-C842 WeakPolarHBondContact O-CB 3.22Å; S839-C842 PolarHBondContact O-N 3.24Å; S839-C842 VanDerWaalsContact O-N 3.09Å; S839-D843 PolarHBondContact O-N 2.88Å; S839-W882 VanDerWaalsContact CB-CH2 3.44Å
840	K	97.8	Very high	95.7	Very high	27 Å²	27	25 Å²	25	12%	0.117	12%	0.124	C	C	.	.	H	α-helix	trans	-74.5	-28	179.9	-56.8	-46.4	177.6	-173.7	0	113.6	A766 L769 Q770 Y836 V837 L838 C842 D843 T844	A766-K840 HydrophobicContact CB-CG 3.8Å; L769-K840 HydrophobicContact CB-CB 3.73Å; L769-K840 HydrophobicContact CD1-CB 4.19Å; Q770-K840 HydrophobicContact CB-CD 4.31Å; Y836-K840 PolarHBondContact O-N 3.21Å; V837-K840 PolarHBondContact O-N 3.39Å; L838-K840 VanDerWaalsContact C-N 3.32Å; L838-K840 PolarHBondContact O-N 2.57Å; K840-C842 VanDerWaalsContact C-N 3.32Å; K840-D843 VanDerWaalsContact CD-OD2 3.26Å; K840-D843 WeakPolarHBondContact CD-OD2 3.18Å; K840-D843 IonicContact NZ-OD2 2.86Å; K840-D843 PolarHBondContact NZ-OD2 3.31Å; K840-D843 VanDerWaalsContact NZ-OD2 3.09Å; K840-D843 PolarHBondContact O-N 3.32Å; K840-T844 PolarHBondContact O-N 3.41Å; K840-T844 PolarHBondContact O-OG1 2.71Å
841	M	97.9	Very high	95.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-42.4	166.1	-65.6	166.6	60.5	0	0	110.7	L769 L796 L799 F800 V837 L838 T844 V845	L769-M841 HydrophobicContact CD1-CG 4Å; L796-M841 HydrophobicContact CD2-CB 3.97Å; L796-M841 HydrophobicContact CD2-CG 4.02Å; L799-M841 HydrophobicContact CB-CE 3.72Å; L799-M841 HydrophobicContact CB-CG 4.42Å; L799-M841 HydrophobicContact CB-SD 3.72Å; L799-M841 HydrophobicContact CD1-CG 4.2Å; L799-M841 HydrophobicContact CD1-SD 4.49Å; F800-M841 HydrophobicContact CB-CE 4.12Å; F800-M841 HydrophobicContact CD1-CE 3.39Å; F800-M841 HydrophobicContact CD2-CE 3.56Å; F800-M841 HydrophobicContact CE1-CE 3.52Å; F800-M841 HydrophobicContact CE2-CE 3.69Å; F800-M841 HydrophobicContact CG-CE 3.4Å; F800-M841 HydrophobicContact CZ-CE 3.67Å; V837-M841 HydrophobicContact CG1-CG 4.45Å; V837-M841 HydrophobicContact CG1-SD 4.22Å; V837-M841 WeakPolarHBondContact O-CG 3.28Å; V837-M841 PolarHBondContact O-N 2.9Å; L838-M841 HydrophobicContact CD1-CE 4.49Å; L838-M841 HydrophobicContact CD1-SD 4.39Å; L838-M841 WeakPolarHBondContact O-CB 3.38Å; L838-M841 PolarHBondContact O-N 2.94Å; M841-T844 WeakPolarHBondContact O-CB 3.44Å; M841-T844 PolarHBondContact O-N 3.32Å; M841-V845 WeakPolarHBondContact O-CG2 3.45Å; M841-V845 PolarHBondContact O-N 2.92Å
842	C	96.8	Very high	95.8	Very high	7 Å²	7	22.8 Å²	22.8	5%	0.047	12%	0.118	C	C	.	.	H	α-helix	trans	-64.4	-43.3	175.1	-61.9	0	0	0	0	111.8	L838 S839 K840 T844 V845 H846 W882 L886	L838-C842 PolarHBondContact O-N 3.48Å; L838-C842 PolarHBondContact O-SG 3.38Å; S839-C842 CarbonylContact O-C 3.58Å; S839-C842 WeakPolarHBondContact O-CA 3.16Å; S839-C842 VanDerWaalsContact O-CB 3.31Å; S839-C842 WeakPolarHBondContact O-CB 3.22Å; S839-C842 PolarHBondContact O-N 3.24Å; S839-C842 VanDerWaalsContact O-N 3.09Å; K840-C842 VanDerWaalsContact C-N 3.32Å; C842-T844 VanDerWaalsContact C-N 3.26Å; C842-T844 PolarHBondContact O-N 3.45Å; C842-V845 PolarHBondContact O-N 2.85Å; C842-V845 VanDerWaalsContact O-N 3.09Å; C842-H846 WeakPolarHBondContact O-CB 3.44Å; C842-H846 PolarHBondContact O-N 3.42Å; C842-W882 HydrophobicContact CB-CE3 3.81Å; C842-W882 HydrophobicContact CB-CZ3 4.18Å; C842-L886 HydrophobicContact CB-CD2 4.22Å; C842-L886 HydrophobicContact CB-CG 4.5Å
843	D	96.9	Very high	95.8	Very high	44 Å²	44	19.1 Å²	19.1	24%	0.235	10%	0.102	C	C	.	.	H	α-helix	trans	-59.2	-37.3	174.3	-67.6	-19.3	0	0	0	111.7	Q770 A773 S839 K840 H846 S847	Q770-D843 PolarHBondContact OE1-OD2 3.33Å; A773-D843 HydrophobicContact CB-CB 4.38Å; S839-D843 PolarHBondContact O-N 2.88Å; K840-D843 VanDerWaalsContact CD-OD2 3.26Å; K840-D843 WeakPolarHBondContact CD-OD2 3.18Å; K840-D843 IonicContact NZ-OD2 2.86Å; K840-D843 PolarHBondContact NZ-OD2 3.31Å; K840-D843 VanDerWaalsContact NZ-OD2 3.09Å; K840-D843 PolarHBondContact O-N 3.32Å; D843-H846 WeakPolarHBondContact O-CB 3.35Å; D843-H846 PolarHBondContact O-N 3.27Å; D843-S847 PolarHBondContact O-N 3.05Å
844	T	97.5	Very high	95.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.4	-43.5	174.5	-56.3	0	0	0	0	111.3	L772 I776 I792 L796 K840 M841 C842 S847 I848	L772-T844 HydrophobicContact CD2-CG2 4.21Å; L772-T844 HydrophobicContact CG-CG2 4.48Å; I776-T844 HydrophobicContact CD1-CG2 4.4Å; I792-T844 HydrophobicContact CG2-CG2 3.99Å; L796-T844 HydrophobicContact CD1-CG2 4.33Å; L796-T844 HydrophobicContact CD2-CG2 4.48Å; K840-T844 PolarHBondContact O-N 3.41Å; K840-T844 PolarHBondContact O-OG1 2.71Å; M841-T844 WeakPolarHBondContact O-CB 3.44Å; M841-T844 PolarHBondContact O-N 3.32Å; C842-T844 VanDerWaalsContact C-N 3.26Å; C842-T844 PolarHBondContact O-N 3.45Å; T844-S847 PolarHBondContact O-N 3Å; T844-S847 PolarHBondContact O-OG 3.15Å; T844-I848 WeakPolarHBondContact O-CG1 3.45Å; T844-I848 PolarHBondContact O-N 3.21Å
845	V	97.3	Very high	95.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-42.9	175.1	174.3	0	0	0	0	111	L796 M841 C842 I848 F849 L863 L886	L796-V845 HydrophobicContact CD1-CG2 3.84Å; M841-V845 WeakPolarHBondContact O-CG2 3.45Å; M841-V845 PolarHBondContact O-N 2.92Å; C842-V845 PolarHBondContact O-N 2.85Å; C842-V845 VanDerWaalsContact O-N 3.09Å; V845-I848 PolarHBondContact O-N 3.15Å; V845-F849 HydrophobicContact CG1-CD2 3.67Å; V845-F849 HydrophobicContact CG1-CE2 3.65Å; V845-F849 WeakPolarHBondContact O-CD2 3.36Å; V845-F849 PolarHBondContact O-N 3.1Å; V845-L863 HydrophobicContact CG2-CD1 4.48Å; V845-L886 HydrophobicContact CB-CD2 3.76Å; V845-L886 HydrophobicContact CG1-CD2 3.74Å; V845-L886 HydrophobicContact CG2-CD2 3.98Å
846	H	96.1	Very high	95.9	Very high	27 Å²	27	23.6 Å²	23.6	13%	0.125	13%	0.127	C	C	.	.	H	α-helix	trans	-54.2	-53.2	173.8	176.2	88.3	0	0	0	110.9	E777 C842 D843 I848 F849 A850 E889 F893 T1069	E777-H846 IonicContact OE1-CD2 2.83Å; C842-H846 WeakPolarHBondContact O-CB 3.44Å; C842-H846 PolarHBondContact O-N 3.42Å; D843-H846 WeakPolarHBondContact O-CB 3.35Å; D843-H846 PolarHBondContact O-N 3.27Å; H846-I848 PolarHBondContact O-N 3.15Å; H846-I848 VanDerWaalsContact O-N 3.15Å; H846-F849 CarbonylContact O-C 3.34Å; H846-F849 WeakPolarHBondContact O-CA 3.43Å; H846-F849 PolarHBondContact O-N 3.24Å; H846-A850 WeakPolarHBondContact O-CB 3.49Å; H846-A850 PolarHBondContact O-N 3.5Å; H846-E889 HydrophobicContact CB-CG 4.49Å; H846-E889 IonicContact CE1-OE1 2.77Å; H846-E889 IonicContact CE1-OE2 3.76Å; H846-E889 IonicContact CG-OE1 2.8Å; H846-E889 IonicContact CG-OE2 3.76Å; H846-E889 IonicContact ND1-OE1 2.84Å; H846-E889 PolarHBondContact ND1-OE1 2.84Å; H846-E889 IonicContact ND1-OE2 3.63Å; H846-E889 PolarHBondContact ND1-OE2 2.87Å; H846-F893 AromaticContact CE1-CE2 3.81Å; H846-F893 AromaticContact CE1-CZ 3.88Å; H846-F893 AromaticContact ND1-CE2 3.93Å; H846-T1069 PolarHBondContact NE2-O 2.97Å
847	S	96.3	Very high	95.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.9	-35.2	-179.2	71.3	0	0	0	0	113.5	A773 D843 T844 A851	A773-S847 WeakPolarHBondContact CA-OG 3.35Å; A773-S847 VanDerWaalsContact O-CB 3.31Å; A773-S847 WeakPolarHBondContact O-CB 3.37Å; D843-S847 PolarHBondContact O-N 3.05Å; T844-S847 PolarHBondContact O-N 3Å; T844-S847 PolarHBondContact O-OG 3.15Å; S847-A851 WeakPolarHBondContact O-CB 3.14Å; S847-A851 PolarHBondContact O-N 2.99Å
848	I	96.8	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.9	-45.5	176.2	-67.1	169.7	0	0	0	110.1	I776 L789 I792 T844 V845 H846 A850 A851 F852 A856 F859	I776-I848 HydrophobicContact CD1-CG1 4.09Å; I776-I848 HydrophobicContact CG2-CG1 4.41Å; L789-I848 HydrophobicContact CD2-CD1 4.2Å; L789-I848 HydrophobicContact CD2-CG1 4.2Å; L789-I848 HydrophobicContact CD2-CG2 3.93Å; I792-I848 HydrophobicContact CG2-CD1 3.93Å; T844-I848 WeakPolarHBondContact O-CG1 3.45Å; T844-I848 PolarHBondContact O-N 3.21Å; V845-I848 PolarHBondContact O-N 3.15Å; H846-I848 PolarHBondContact O-N 3.15Å; H846-I848 VanDerWaalsContact O-N 3.15Å; I848-A850 VanDerWaalsContact C-N 3.34Å; I848-A851 PolarHBondContact O-N 3.26Å; I848-F852 HydrophobicContact CG2-CD2 4.19Å; I848-F852 WeakPolarHBondContact O-CB 3.45Å; I848-F852 WeakPolarHBondContact O-CD2 3.32Å; I848-F852 PolarHBondContact O-N 2.74Å; I848-A856 HydrophobicContact CG2-CB 3.87Å; I848-F859 HydrophobicContact CD1-CD1 4.43Å; I848-F859 HydrophobicContact CD1-CE1 3.66Å; I848-F859 HydrophobicContact CD1-CE2 3.74Å; I848-F859 HydrophobicContact CD1-CZ 3.25Å; I848-F859 HydrophobicContact CG2-CD1 4.22Å; I848-F859 HydrophobicContact CG2-CE1 4.36Å
849	F	95.8	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-38.2	175.4	-85.1	-66.4	0	0	0	112.5	V845 H846 A851 G853 A856 F860 E889 I890 F893 T894	V845-F849 HydrophobicContact CG1-CD2 3.67Å; V845-F849 HydrophobicContact CG1-CE2 3.65Å; V845-F849 WeakPolarHBondContact O-CD2 3.36Å; V845-F849 PolarHBondContact O-N 3.1Å; H846-F849 CarbonylContact O-C 3.34Å; H846-F849 WeakPolarHBondContact O-CA 3.43Å; H846-F849 PolarHBondContact O-N 3.24Å; F849-A851 VanDerWaalsContact C-N 3.34Å; F849-A851 PolarHBondContact O-N 2.91Å; F849-G853 VanDerWaalsContact O-CA 3.27Å; F849-G853 WeakPolarHBondContact O-CA 3.36Å; F849-G853 PolarHBondContact O-N 3.23Å; F849-A856 HydrophobicContact CD1-CB 3.67Å; F849-A856 HydrophobicContact CE1-CB 3.58Å; F849-A856 HydrophobicContact CG-CB 4.29Å; F849-A856 HydrophobicContact CZ-CB 4.13Å; F849-F860 HydrophobicContact CE2-CB 4.01Å; F849-F860 AromaticContact CE2-CD2 3.92Å; F849-F860 HydrophobicContact CE2-CD2 3.92Å; F849-F860 HydrophobicContact CE2-CG 4.14Å; F849-F860 HydrophobicContact CZ-CB 3.54Å; F849-F860 HydrophobicContact CZ-CD2 4.15Å; F849-F860 AromaticContact CZ-CG 3.89Å; F849-F860 HydrophobicContact CZ-CG 3.89Å; F849-E889 HydrophobicContact CD2-CB 4.2Å; F849-I890 HydrophobicContact CD2-CD1 4.3Å; F849-I890 HydrophobicContact CE1-CD1 3.77Å; F849-I890 HydrophobicContact CE2-CD1 3.35Å; F849-I890 HydrophobicContact CZ-CD1 3.03Å; F849-F893 HydrophobicContact CB-CB 3.77Å; F849-F893 HydrophobicContact CB-CD1 4.4Å; F849-F893 HydrophobicContact CB-CD2 3.66Å; F849-F893 HydrophobicContact CB-CE2 4.39Å; F849-F893 HydrophobicContact CB-CG 3.68Å; F849-F893 HydrophobicContact CD1-CB 3.91Å; F849-F893 HydrophobicContact CG-CB 4.19Å; F849-F893 VanDerWaalsContact O-CD1 3.26Å; F849-F893 WeakPolarHBondContact O-CD1 3.36Å; F849-T894 HydrophobicContact CD1-CG2 4.18Å; F849-T894 HydrophobicContact CE1-CG2 3.84Å
850	A	92.5	Very high	95.4	Very high	32 Å²	32	23.7 Å²	23.7	26%	0.264	14%	0.137	S	C	.	.	H	α-helix	trans	-59.4	-43.5	173.4	0	0	0	0	0	112.2	H846 I848 F893	H846-A850 WeakPolarHBondContact O-CB 3.49Å; H846-A850 PolarHBondContact O-N 3.5Å; I848-A850 VanDerWaalsContact C-N 3.34Å; A850-F893 HydrophobicContact CB-CE1 4Å; A850-F893 HydrophobicContact CB-CZ 4.01Å
851	A	92.4	Very high	95.2	Very high	22 Å²	22	26.9 Å²	26.9	18%	0.182	15%	0.152	C	C	.	.	H	α-helix	trans	-75.8	-39.2	179.9	0	0	0	0	0	113.8	I776 K781 S847 I848 F849	I776-A851 HydrophobicContact CG2-CB 4.33Å; K781-A851 WeakPolarHBondContact CB-O 3.39Å; S847-A851 WeakPolarHBondContact O-CB 3.14Å; S847-A851 PolarHBondContact O-N 2.99Å; I848-A851 PolarHBondContact O-N 3.26Å; F849-A851 VanDerWaalsContact C-N 3.34Å; F849-A851 PolarHBondContact O-N 2.91Å
852	F	94.4	Very high	95	Very high	23 Å²	23	31.6 Å²	31.6	10%	0.101	17%	0.174	C	C	.	.	H	α-helix	trans	-111	-19.4	-167	-71.5	-90.6	0	0	0	114.9	K781 V784 L789 I848 V854 E855 A856	K781-F852 HydrophobicContact CB-CD1 3.93Å; K781-F852 HydrophobicContact CB-CD2 4.46Å; K781-F852 HydrophobicContact CB-CE1 3.76Å; K781-F852 HydrophobicContact CB-CE2 4.3Å; K781-F852 HydrophobicContact CB-CG 4.29Å; K781-F852 HydrophobicContact CB-CZ 3.97Å; V784-F852 HydrophobicContact CB-CE2 4.03Å; V784-F852 HydrophobicContact CB-CZ 3.74Å; V784-F852 HydrophobicContact CG1-CE2 4Å; V784-F852 HydrophobicContact CG1-CZ 3.86Å; L789-F852 HydrophobicContact CD1-CD1 4.43Å; L789-F852 HydrophobicContact CD1-CE1 3.94Å; L789-F852 HydrophobicContact CD1-CE2 4.1Å; L789-F852 HydrophobicContact CD1-CZ 3.74Å; L789-F852 HydrophobicContact CD2-CE2 3.98Å; L789-F852 HydrophobicContact CD2-CZ 4.34Å; L789-F852 HydrophobicContact CG-CE2 4.4Å; L789-F852 HydrophobicContact CG-CZ 4.26Å; I848-F852 HydrophobicContact CG2-CD2 4.19Å; I848-F852 WeakPolarHBondContact O-CB 3.45Å; I848-F852 WeakPolarHBondContact O-CD2 3.32Å; I848-F852 PolarHBondContact O-N 2.74Å; F852-V854 PolarHBondContact O-N 3.15Å; F852-E855 HydrophobicContact CB-CB 4.24Å; F852-E855 HydrophobicContact CD1-CB 4.45Å; F852-E855 WeakPolarHBondContact O-CB 3.29Å; F852-E855 PolarHBondContact O-N 3.02Å; F852-E855 VanDerWaalsContact O-N 3.13Å; F852-A856 HydrophobicContact CB-CB 3.99Å
853	G	93.7	Very high	95	Very high	17 Å²	17	31.4 Å²	31.4	18%	0.175	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	54.6	-127.5	-175.4	0	0	0	0	0	112.3	F849 E855 A856	F849-G853 VanDerWaalsContact O-CA 3.27Å; F849-G853 WeakPolarHBondContact O-CA 3.36Å; F849-G853 PolarHBondContact O-N 3.23Å; G853-E855 PolarHBondContact O-N 3.29Å; G853-E855 VanDerWaalsContact O-N 3.13Å; G853-A856 WeakPolarHBondContact O-CB 3.33Å; G853-A856 PolarHBondContact O-N 3.12Å; G853-A856 VanDerWaalsContact O-N 3.1Å
854	V	95.3	Very high	94.9	Very high	62 Å²	62	31.2 Å²	31.2	38%	0.376	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-57.3	-28.3	178.7	-178	0	0	0	0	112.9	F852 A856 L857 Q897	F852-V854 PolarHBondContact O-N 3.15Å; V854-A856 PolarHBondContact O-N 3.26Å; V854-L857 HydrophobicContact CG1-CD1 4.02Å; V854-L857 WeakPolarHBondContact O-CB 3.37Å; V854-L857 WeakPolarHBondContact O-CG 3.48Å; V854-L857 PolarHBondContact O-N 3.23Å; V854-Q897 HydrophobicContact CG1-CG 4.17Å
855	E	94.3	Very high	94.8	Very high	131 Å²	131	35.7 Å²	35.7	61%	0.612	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-67.2	-17.5	-179.4	-62.4	177	-142	0	0	112.8	K781 F852 G853 L857 P858	K781-E855 IonicContact NZ-OE1 2.89Å; F852-E855 HydrophobicContact CB-CB 4.24Å; F852-E855 HydrophobicContact CD1-CB 4.45Å; F852-E855 WeakPolarHBondContact O-CB 3.29Å; F852-E855 PolarHBondContact O-N 3.02Å; F852-E855 VanDerWaalsContact O-N 3.13Å; G853-E855 PolarHBondContact O-N 3.29Å; G853-E855 VanDerWaalsContact O-N 3.13Å; E855-L857 VanDerWaalsContact C-N 3.34Å; E855-P858 WeakPolarHBondContact O-CD 3.47Å
856	A	94.8	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-79.1	-9.5	176.1	0	0	0	0	0	114.3	I848 F849 F852 G853 V854 F859 F860	I848-A856 HydrophobicContact CG2-CB 3.87Å; F849-A856 HydrophobicContact CD1-CB 3.67Å; F849-A856 HydrophobicContact CE1-CB 3.58Å; F849-A856 HydrophobicContact CG-CB 4.29Å; F849-A856 HydrophobicContact CZ-CB 4.13Å; F852-A856 HydrophobicContact CB-CB 3.99Å; G853-A856 WeakPolarHBondContact O-CB 3.33Å; G853-A856 PolarHBondContact O-N 3.12Å; G853-A856 VanDerWaalsContact O-N 3.1Å; V854-A856 PolarHBondContact O-N 3.26Å; A856-F859 VanDerWaalsContact O-CB 3.3Å; A856-F859 WeakPolarHBondContact O-CB 3.21Å; A856-F859 PolarHBondContact O-N 3.36Å; A856-F860 PolarHBondContact O-N 3.1Å; A856-F860 VanDerWaalsContact O-N 3.09Å
857	L	94.6	Very high	94.7	Very high	15 Å²	15	35 Å²	35	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-55.1	-43	-177.3	-77.6	177.3	0	0	0	114.8	V854 E855 F859 F860 Q861 I890 T894 Q897 F901	V854-L857 HydrophobicContact CG1-CD1 4.02Å; V854-L857 WeakPolarHBondContact O-CB 3.37Å; V854-L857 WeakPolarHBondContact O-CG 3.48Å; V854-L857 PolarHBondContact O-N 3.23Å; E855-L857 VanDerWaalsContact C-N 3.34Å; L857-F859 VanDerWaalsContact C-N 3.25Å; L857-F859 PolarHBondContact O-N 3.19Å; L857-F860 PolarHBondContact O-N 2.88Å; L857-Q861 WeakPolarHBondContact O-CB 3.41Å; L857-Q861 VanDerWaalsContact O-CG 3.32Å; L857-Q861 WeakPolarHBondContact O-CG 3.48Å; L857-Q861 PolarHBondContact O-N 2.82Å; L857-I890 HydrophobicContact CD2-CG2 4.31Å; L857-T894 HydrophobicContact CD1-CG2 4.34Å; L857-T894 HydrophobicContact CD2-CG2 3.75Å; L857-T894 HydrophobicContact CG-CG2 3.9Å; L857-Q897 HydrophobicContact CD1-CB 4.03Å; L857-F901 HydrophobicContact CD2-CE2 3.68Å; L857-F901 HydrophobicContact CD2-CZ 4.19Å
858	P	93.5	Very high	94.7	Very high	76 Å²	76	37.1 Å²	37.1	49%	0.494	21%	0.208	S	C	.	.	H	α-helix	trans	-65.3	-27.4	177.4	-22.1	35.1	0	0	0	114	E855 Q862	E855-P858 WeakPolarHBondContact O-CD 3.47Å; P858-Q862 PolarHBondContact O-NE2 3.24Å; P858-Q862 VanDerWaalsContact O-NE2 3.1Å
859	F	94.2	Very high	94.7	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.048	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-50.8	172.3	164.2	-85	0	0	0	109.6	L789 I792 R793 L796 I848 A856 L857 Q861 Q862 L863	L789-F859 HydrophobicContact CB-CD2 4.43Å; L789-F859 WeakPolarHBondContact O-CD2 3.32Å; L789-F859 WeakPolarHBondContact O-CE2 3.34Å; I792-F859 HydrophobicContact CG2-CE2 4.44Å; I792-F859 HydrophobicContact CG2-CZ 4.49Å; R793-F859 HydrophobicContact CB-CD2 3.72Å; R793-F859 HydrophobicContact CB-CE2 3.46Å; R793-F859 VanDerWaalsContact CB-CE2 3.46Å; R793-F859 HydrophobicContact CB-CZ 4.35Å; R793-F859 HydrophobicContact CG-CD2 4.2Å; R793-F859 HydrophobicContact CG-CE2 4.12Å; L796-F859 HydrophobicContact CD1-CZ 3.84Å; I848-F859 HydrophobicContact CD1-CD1 4.43Å; I848-F859 HydrophobicContact CD1-CE1 3.66Å; I848-F859 HydrophobicContact CD1-CE2 3.74Å; I848-F859 HydrophobicContact CD1-CZ 3.25Å; I848-F859 HydrophobicContact CG2-CD1 4.22Å; I848-F859 HydrophobicContact CG2-CE1 4.36Å; A856-F859 VanDerWaalsContact O-CB 3.3Å; A856-F859 WeakPolarHBondContact O-CB 3.21Å; A856-F859 PolarHBondContact O-N 3.36Å; L857-F859 VanDerWaalsContact C-N 3.25Å; L857-F859 PolarHBondContact O-N 3.19Å; F859-Q861 PolarHBondContact O-N 2.7Å; F859-Q862 PolarHBondContact O-N 2.67Å; F859-L863 HydrophobicContact CD1-CD1 4.46Å; F859-L863 HydrophobicContact CE1-CD1 3.73Å; F859-L863 HydrophobicContact CZ-CD1 3.86Å
860	F	94.3	Very high	94.8	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-36.8	-178.1	178.4	-97.3	0	0	0	113.9	F849 A856 L857 Q862 L863 M864 C867 W887 I890	F849-F860 HydrophobicContact CE2-CB 4.01Å; F849-F860 AromaticContact CE2-CD2 3.92Å; F849-F860 HydrophobicContact CE2-CD2 3.92Å; F849-F860 HydrophobicContact CE2-CG 4.14Å; F849-F860 HydrophobicContact CZ-CB 3.54Å; F849-F860 HydrophobicContact CZ-CD2 4.15Å; F849-F860 AromaticContact CZ-CG 3.89Å; F849-F860 HydrophobicContact CZ-CG 3.89Å; A856-F860 PolarHBondContact O-N 3.1Å; A856-F860 VanDerWaalsContact O-N 3.09Å; L857-F860 PolarHBondContact O-N 2.88Å; F860-Q862 PolarHBondContact O-N 3.31Å; F860-L863 CarbonylContact O-C 3.53Å; F860-L863 WeakPolarHBondContact O-CA 3.29Å; F860-L863 PolarHBondContact O-N 3.46Å; F860-M864 HydrophobicContact CE1-CB 4.46Å; F860-M864 HydrophobicContact CE1-CG 4.39Å; F860-M864 PolarHBondContact O-N 2.98Å; F860-C867 HydrophobicContact CE2-CB 4.43Å; F860-C867 WeakPolarHBondContact CE2-SG 3.32Å; F860-C867 HydrophobicContact CZ-CB 4.15Å; F860-W887 HydrophobicContact CE1-CE3 4.22Å; F860-W887 AromaticContact CE1-CH2 3.93Å; F860-W887 HydrophobicContact CE1-CH2 3.93Å; F860-W887 AromaticContact CE1-CZ3 3.67Å; F860-W887 HydrophobicContact CE1-CZ3 3.67Å; F860-W887 HydrophobicContact CZ-CD2 4.46Å; F860-W887 HydrophobicContact CZ-CE3 4.12Å; F860-W887 HydrophobicContact CZ-CH2 4.15Å; F860-W887 HydrophobicContact CZ-CZ2 4.44Å; F860-W887 AromaticContact CZ-CZ3 3.96Å; F860-W887 HydrophobicContact CZ-CZ3 3.96Å; F860-I890 HydrophobicContact CB-CD1 4.27Å; F860-I890 HydrophobicContact CD1-CD1 3.5Å; F860-I890 VanDerWaalsContact CD1-CD1 3.5Å; F860-I890 HydrophobicContact CD1-CG1 4.06Å; F860-I890 HydrophobicContact CD2-CD1 3.61Å; F860-I890 HydrophobicContact CD2-CG1 4.45Å; F860-I890 HydrophobicContact CE1-CD1 3.6Å; F860-I890 HydrophobicContact CE1-CG1 3.63Å; F860-I890 HydrophobicContact CE2-CD1 3.69Å; F860-I890 HydrophobicContact CE2-CG1 4.04Å; F860-I890 HydrophobicContact CG-CD1 3.5Å; F860-I890 HydrophobicContact CG-CG1 4.44Å; F860-I890 HydrophobicContact CZ-CD1 3.68Å; F860-I890 HydrophobicContact CZ-CG1 3.61Å
861	Q	94.4	Very high	95	Very high	93 Å²	93	39.4 Å²	39.4	44%	0.435	21%	0.212	S	C	.	.	H	α-helix	trans	-55	-26.3	179.2	-82	177.6	-19.3	0	0	113.6	L857 F859 M864 F901	L857-Q861 WeakPolarHBondContact O-CB 3.41Å; L857-Q861 VanDerWaalsContact O-CG 3.32Å; L857-Q861 WeakPolarHBondContact O-CG 3.48Å; L857-Q861 PolarHBondContact O-N 2.82Å; F859-Q861 PolarHBondContact O-N 2.7Å; Q861-M864 WeakPolarHBondContact O-CB 3.33Å; Q861-F901 HydrophobicContact CG-CE1 4.08Å; Q861-F901 HydrophobicContact CG-CZ 3.99Å
862	Q	93.8	Very high	95.1	Very high	101 Å²	101	42.6 Å²	42.6	47%	0.472	22%	0.224	S	C	.	.	H	α-helix	trans	-81.7	-30.9	176.5	-70.7	173.4	75.2	0	0	112.6	R793 P858 F859 F860 M864	R793-Q862 VanDerWaalsContact CZ-OE1 3.28Å; R793-Q862 VanDerWaalsContact NE-OE1 3.13Å; P858-Q862 PolarHBondContact O-NE2 3.24Å; P858-Q862 VanDerWaalsContact O-NE2 3.1Å; F859-Q862 PolarHBondContact O-N 2.67Å; F860-Q862 PolarHBondContact O-N 3.31Å; Q862-M864 VanDerWaalsContact C-N 3.34Å
863	L	95.4	Very high	94.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-84.3	-10.5	174.7	-60.6	177.8	0	0	0	113	R793 L796 D797 F800 V845 F859 F860 V865 F866 C867	R793-L863 HydrophobicContact CG-CD1 4.44Å; R793-L863 HydrophobicContact CG-CD2 3.94Å; R793-L863 HydrophobicContact CG-CG 4.06Å; L796-L863 HydrophobicContact CB-CD1 4.19Å; L796-L863 HydrophobicContact CB-CD2 4.26Å; L796-L863 HydrophobicContact CD1-CD1 3.9Å; D797-L863 HydrophobicContact CB-CD2 4.3Å; F800-L863 HydrophobicContact CD2-CD2 4.47Å; V845-L863 HydrophobicContact CG2-CD1 4.48Å; F859-L863 HydrophobicContact CD1-CD1 4.46Å; F859-L863 HydrophobicContact CE1-CD1 3.73Å; F859-L863 HydrophobicContact CZ-CD1 3.86Å; F860-L863 CarbonylContact O-C 3.53Å; F860-L863 WeakPolarHBondContact O-CA 3.29Å; F860-L863 PolarHBondContact O-N 3.46Å; L863-V865 PolarHBondContact O-N 3.05Å; L863-V865 VanDerWaalsContact O-N 3.08Å; L863-F866 HydrophobicContact CD2-CD2 4.37Å; L863-F866 HydrophobicContact CD2-CE2 4.48Å; L863-F866 PolarHBondContact O-N 3.16Å; L863-C867 PolarHBondContact O-N 3.5Å; L863-C867 PolarHBondContact O-SG 3.24Å; L863-C867 VanDerWaalsContact O-SG 3.41Å
864	M	94.8	Very high	94.5	Very high	40 Å²	40	54.9 Å²	54.9	20%	0.197	28%	0.281	C	S	.	.	H	α-helix	trans	-54.9	-31.7	-174.7	-171.1	179.5	70.7	0	0	113.4	F860 Q861 Q862 F866 C867 V868 W887 F901 F904	F860-M864 HydrophobicContact CE1-CB 4.46Å; F860-M864 HydrophobicContact CE1-CG 4.39Å; F860-M864 PolarHBondContact O-N 2.98Å; Q861-M864 WeakPolarHBondContact O-CB 3.33Å; Q862-M864 VanDerWaalsContact C-N 3.34Å; M864-F866 VanDerWaalsContact C-N 3.31Å; M864-F866 PolarHBondContact O-N 3.15Å; M864-C867 PolarHBondContact O-N 3.04Å; M864-V868 HydrophobicContact CG-CG2 4.37Å; M864-V868 WeakPolarHBondContact O-CG2 3.46Å; M864-V868 PolarHBondContact O-N 3.07Å; M864-W887 HydrophobicContact CG-CH2 3.73Å; M864-W887 HydrophobicContact CG-CZ2 4.16Å; M864-W887 HydrophobicContact SD-CH2 4.11Å; M864-F901 HydrophobicContact SD-CD1 3.89Å; M864-F901 HydrophobicContact SD-CE1 4.16Å; M864-F904 HydrophobicContact CE-CE2 4.12Å; M864-F904 HydrophobicContact CE-CZ 4.05Å; M864-F904 HydrophobicContact SD-CD2 4.16Å; M864-F904 HydrophobicContact SD-CE2 4.03Å
865	V	95.6	Very high	94.4	Very high	95 Å²	95	53.4 Å²	53.4	58%	0.576	27%	0.268	S	S	*	.	H	α-helix	trans	-60	-41.6	178.1	64.5	0	0	0	0	111.8	L863 K869	L863-V865 PolarHBondContact O-N 3.05Å; L863-V865 VanDerWaalsContact O-N 3.08Å; V865-K869 WeakPolarHBondContact O-CB 3.44Å; V865-K869 PolarHBondContact O-N 3.2Å; V865-K869 VanDerWaalsContact O-N 3.08Å
866	F	96.6	Very high	94.2	Very high	11 Å²	11	49 Å²	49	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-71.6	-41.4	177	-54.7	-62.6	0	0	0	110.9	D797 F800 H801 F804 L863 M864 V868 K869 L870	D797-F866 HydrophobicContact CB-CE2 4.29Å; D797-F866 WeakPolarHBondContact OD1-CE2 3.16Å; F800-F866 HydrophobicContact CB-CB 3.98Å; F800-F866 HydrophobicContact CB-CD1 3.77Å; F800-F866 HydrophobicContact CB-CD2 3.83Å; F800-F866 HydrophobicContact CB-CE1 4.14Å; F800-F866 HydrophobicContact CB-CE2 4.22Å; F800-F866 HydrophobicContact CB-CG 3.58Å; F800-F866 HydrophobicContact CB-CZ 4.36Å; F800-F866 HydrophobicContact CD1-CB 3.9Å; F800-F866 HydrophobicContact CD1-CG 4.44Å; F800-F866 HydrophobicContact CD2-CB 4.05Å; F800-F866 AromaticContact CD2-CD2 3.86Å; F800-F866 HydrophobicContact CD2-CD2 3.86Å; F800-F866 HydrophobicContact CD2-CG 4.11Å; F800-F866 HydrophobicContact CE1-CB 4.41Å; F800-F866 HydrophobicContact CG-CB 3.71Å; F800-F866 HydrophobicContact CG-CD1 4.44Å; F800-F866 HydrophobicContact CG-CD2 4Å; F800-F866 AromaticContact CG-CG 3.81Å; F800-F866 HydrophobicContact CG-CG 3.81Å; H801-F866 AromaticContact CD2-CE1 3.74Å; H801-F866 AromaticContact CD2-CZ 3.49Å; H801-F866 VanDerWaalsContact CD2-CZ 3.49Å; H801-F866 WeakPolarHBondContact CD2-CZ 3.49Å; H801-F866 AromaticContact CE1-CE1 3.89Å; H801-F866 AromaticContact NE2-CE1 3.61Å; H801-F866 AromaticContact NE2-CZ 3.45Å; H801-F866 WeakPolarHBondContact NE2-CZ 3.43Å; F804-F866 HydrophobicContact CD2-CD1 4.08Å; F804-F866 HydrophobicContact CE2-CB 3.98Å; F804-F866 AromaticContact CE2-CD1 3.68Å; F804-F866 HydrophobicContact CE2-CD1 3.68Å; F804-F866 HydrophobicContact CE2-CG 4.26Å; L863-F866 HydrophobicContact CD2-CD2 4.37Å; L863-F866 HydrophobicContact CD2-CE2 4.48Å; L863-F866 PolarHBondContact O-N 3.16Å; M864-F866 VanDerWaalsContact C-N 3.31Å; M864-F866 PolarHBondContact O-N 3.15Å; F866-V868 VanDerWaalsContact C-N 3.27Å; F866-V868 PolarHBondContact O-N 2.77Å; F866-K869 WeakPolarHBondContact O-CA 3.38Å; F866-K869 WeakPolarHBondContact O-CB 3.16Å; F866-K869 PolarHBondContact O-N 3.07Å; F866-L870 WeakPolarHBondContact O-CG 3.49Å; F866-L870 PolarHBondContact O-N 2.91Å
867	C	95.4	Very high	94.2	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-35.6	177.8	-56.2	0	0	0	0	112.1	F860 L863 M864 L871 W887	F860-C867 HydrophobicContact CE2-CB 4.43Å; F860-C867 WeakPolarHBondContact CE2-SG 3.32Å; F860-C867 HydrophobicContact CZ-CB 4.15Å; L863-C867 PolarHBondContact O-N 3.5Å; L863-C867 PolarHBondContact O-SG 3.24Å; L863-C867 VanDerWaalsContact O-SG 3.41Å; M864-C867 PolarHBondContact O-N 3.04Å; C867-L871 WeakPolarHBondContact O-CG 3.36Å; C867-W887 HydrophobicContact CB-CZ2 4.18Å
868	V	96.5	Very high	94.2	Very high	46 Å²	46	52.1 Å²	52.1	28%	0.279	26%	0.262	S	S	.	.	H	α-helix	trans	-71.7	-40.9	172.7	173.1	0	0	0	0	111	M864 F866 L870 L871 W887 F904	M864-V868 HydrophobicContact CG-CG2 4.37Å; M864-V868 WeakPolarHBondContact O-CG2 3.46Å; M864-V868 PolarHBondContact O-N 3.07Å; F866-V868 VanDerWaalsContact C-N 3.27Å; F866-V868 PolarHBondContact O-N 2.77Å; V868-L870 VanDerWaalsContact C-N 3.3Å; V868-L870 PolarHBondContact O-N 3.47Å; V868-L871 WeakPolarHBondContact O-CB 3.42Å; V868-L871 PolarHBondContact O-N 3.01Å; V868-W887 HydrophobicContact CG2-CZ2 3.96Å; V868-F904 HydrophobicContact CG2-CB 4.05Å; V868-F904 HydrophobicContact CG2-CD1 3.79Å; V868-F904 HydrophobicContact CG2-CG 4.13Å
869	K	96.7	Very high	94.3	Very high	65 Å²	65	48.6 Å²	48.6	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-38.3	178.9	-170.6	177.3	175.7	-168.9	0	112.2	F804 V865 F866 L871 E872 R875	F804-K869 HydrophobicContact CD1-CD 3.84Å; F804-K869 HydrophobicContact CD1-CG 4.33Å; F804-K869 HydrophobicContact CD2-CD 3.93Å; F804-K869 HydrophobicContact CE1-CB 4.3Å; F804-K869 HydrophobicContact CE1-CD 3.73Å; F804-K869 HydrophobicContact CE1-CG 3.8Å; F804-K869 HydrophobicContact CE2-CB 4.43Å; F804-K869 HydrophobicContact CE2-CD 3.86Å; F804-K869 HydrophobicContact CE2-CG 4.43Å; F804-K869 HydrophobicContact CG-CD 3.97Å; F804-K869 VanDerWaalsContact CG-NZ 3.3Å; F804-K869 HydrophobicContact CZ-CB 3.89Å; F804-K869 HydrophobicContact CZ-CD 3.75Å; F804-K869 HydrophobicContact CZ-CG 3.86Å; V865-K869 WeakPolarHBondContact O-CB 3.44Å; V865-K869 PolarHBondContact O-N 3.2Å; V865-K869 VanDerWaalsContact O-N 3.08Å; F866-K869 WeakPolarHBondContact O-CA 3.38Å; F866-K869 WeakPolarHBondContact O-CB 3.16Å; F866-K869 PolarHBondContact O-N 3.07Å; K869-L871 PolarHBondContact O-N 2.75Å; K869-E872 WeakPolarHBondContact O-CB 3.43Å; K869-E872 WeakPolarHBondContact O-CG 3.44Å; K869-E872 PolarHBondContact O-N 3.19Å; K869-E872 VanDerWaalsContact O-N 3.16Å; K869-R875 WeakPolarHBondContact O-CG 3.27Å
870	L	97.3	Very high	94.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.7	174	-70.4	174.7	0	0	0	113.2	F800 F804 L838 F866 V868 E872 D879 L886	F800-L870 HydrophobicContact CE1-CD1 4.08Å; F804-L870 HydrophobicContact CE1-CD2 3.95Å; F804-L870 HydrophobicContact CZ-CD2 3.77Å; F804-L870 HydrophobicContact CZ-CG 4.01Å; L838-L870 HydrophobicContact CD1-CD1 4.45Å; L838-L870 HydrophobicContact CD2-CD2 4.18Å; F866-L870 WeakPolarHBondContact O-CG 3.49Å; F866-L870 PolarHBondContact O-N 2.91Å; V868-L870 VanDerWaalsContact C-N 3.3Å; V868-L870 PolarHBondContact O-N 3.47Å; L870-E872 VanDerWaalsContact C-N 3.34Å; L870-D879 HydrophobicContact CD2-CB 3.8Å; L870-D879 WeakPolarHBondContact CD2-OD2 3.41Å; L870-D879 CarbonylContact O-C 3.59Å; L870-L886 HydrophobicContact CD1-CD1 3.84Å
871	L	97	Very high	94.5	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.073	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	0.5	-179.9	-57.2	-173.7	0	0	0	114.1	C867 V868 K869 L880 I884 F905 T908	C867-L871 WeakPolarHBondContact O-CG 3.36Å; V868-L871 WeakPolarHBondContact O-CB 3.42Å; V868-L871 PolarHBondContact O-N 3.01Å; K869-L871 PolarHBondContact O-N 2.75Å; L871-L880 HydrophobicContact CD2-CD1 4.02Å; L871-I884 HydrophobicContact CD2-CG1 3.98Å; L871-F905 HydrophobicContact CD1-CB 4.12Å; L871-T908 HydrophobicContact CB-CG2 4.33Å; L871-T908 HydrophobicContact CD1-CG2 4.45Å; L871-T908 HydrophobicContact CD2-CG2 4.17Å
872	E	94.5	Very high	94.7	Very high	90 Å²	90	49.1 Å²	49.1	42%	0.421	24%	0.24	S	C	.	.			trans	-67.4	140	-179.4	-67.5	178.4	169.2	0	0	111.5	K869 L870 N874 R875	K869-E872 WeakPolarHBondContact O-CB 3.43Å; K869-E872 WeakPolarHBondContact O-CG 3.44Å; K869-E872 PolarHBondContact O-N 3.19Å; K869-E872 VanDerWaalsContact O-N 3.16Å; L870-E872 VanDerWaalsContact C-N 3.34Å; E872-N874 WeakPolarHBondContact CB-OD1 3.42Å; E872-N874 PolarHBondContact O-N 3.04Å; E872-R875 HydrophobicContact CB-CG 4.01Å; E872-R875 WeakPolarHBondContact O-CB 3.38Å; E872-R875 PolarHBondContact O-N 3.49Å
873	Q	87.8	Confident	94.8	Very high	167 Å²	167	44.3 Å²	44.3	78%	0.78	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.5	-171.3	-68.6	-175.5	-16.8	0	0	115.2
874	N	88.7	Confident	95	Very high	131 Å²	131	44.2 Å²	44.2	70%	0.701	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.1	179	61.9	-38.4	0	0	0	113.2	E872	E872-N874 WeakPolarHBondContact CB-OD1 3.42Å; E872-N874 PolarHBondContact O-N 3.04Å
875	R	91.7	Very high	95.1	Very high	30 Å²	30	43.6 Å²	43.6	11%	0.113	22%	0.217	C	C	.	.	S	Bend	trans	-80.8	159.2	176.3	-61.6	-61.2	-62.9	167.5	3.7	111.4	F804 S807 K869 E872 D879	F804-R875 VanDerWaalsContact CD1-CZ 3.5Å; F804-R875 VanDerWaalsContact CD1-NH2 3.32Å; S807-R875 PolarHBondContact OG-NH1 3.29Å; S807-R875 VanDerWaalsContact OG-NH1 3.08Å; S807-R875 PolarHBondContact OG-NH2 2.82Å; K869-R875 WeakPolarHBondContact O-CG 3.27Å; E872-R875 HydrophobicContact CB-CG 4.01Å; E872-R875 WeakPolarHBondContact O-CB 3.38Å; E872-R875 PolarHBondContact O-N 3.49Å; R875-D879 HydrophobicContact CB-CB 3.87Å; R875-D879 IonicContact CZ-OD2 2.65Å; R875-D879 IonicContact NE-OD2 3.3Å; R875-D879 PolarHBondContact NE-OD2 3.35Å; R875-D879 IonicContact NH2-OD1 3.45Å; R875-D879 IonicContact NH2-OD2 2.69Å; R875-D879 PolarHBondContact NH2-OD2 2.89Å
876	P	91.5	Very high	95.1	Very high	40 Å²	40	39.1 Å²	39.1	26%	0.26	19%	0.189	S	C	.	.			trans	-53.5	156.4	169.4	-25.2	35.6	0	0	0	112.5	S878 D879 L880	P876-S878 WeakPolarHBondContact CB-OG 3.36Å; P876-S878 PolarHBondContact O-N 3.2Å; P876-D879 WeakPolarHBondContact O-CB 3.42Å; P876-D879 PolarHBondContact O-N 2.85Å; P876-L880 PolarHBondContact O-N 3.22Å
877	W	93.9	Very high	95.2	Very high	80 Å²	80	38.6 Å²	38.6	30%	0.303	19%	0.187	S	C	.	.	H	α-helix	trans	-66.1	-28	179.4	66.9	-97.2	0	0	0	112.7	L880 Q881 Q917 D919 V920	W877-L880 WeakPolarHBondContact O-CB 3.49Å; W877-L880 PolarHBondContact O-N 3.42Å; W877-Q881 VanDerWaalsContact CZ3-OE1 3.23Å; W877-Q881 PolarHBondContact O-N 2.78Å; W877-Q917 HydrophobicContact CB-CG 3.91Å; W877-Q917 HydrophobicContact CD2-CB 4.43Å; W877-Q917 HydrophobicContact CD2-CG 3.91Å; W877-Q917 HydrophobicContact CE3-CB 4.31Å; W877-Q917 HydrophobicContact CE3-CG 4.29Å; W877-Q917 HydrophobicContact CG-CG 3.72Å; W877-D919 HydrophobicContact CZ3-CB 3.82Å; W877-V920 HydrophobicContact CB-CG2 4.18Å; W877-V920 HydrophobicContact CE3-CG2 4.11Å; W877-V920 VanDerWaalsContact O-CG2 3.26Å; W877-V920 WeakPolarHBondContact O-CG2 3.33Å
878	S	93.7	Very high	95.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-44.6	176.3	44.2	0	0	0	0	111.7	E835 P876 L880 Q881 W882	E835-S878 WeakPolarHBondContact OE1-CB 3.27Å; E835-S878 PolarHBondContact OE1-OG 3.4Å; E835-S878 VanDerWaalsContact OE2-CB 3.24Å; E835-S878 WeakPolarHBondContact OE2-CB 3.44Å; P876-S878 WeakPolarHBondContact CB-OG 3.36Å; P876-S878 PolarHBondContact O-N 3.2Å; S878-L880 VanDerWaalsContact C-N 3.25Å; S878-L880 PolarHBondContact O-N 2.78Å; S878-Q881 WeakPolarHBondContact O-CB 3.42Å; S878-Q881 PolarHBondContact O-N 3.39Å; S878-W882 PolarHBondContact O-N 2.89Å
879	D	96.1	Very high	95.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-45.2	168.2	-76.1	44.8	0	0	0	111.1	H803 L870 R875 P876 Q881 W882 G883	H803-D879 IonicContact CE1-OD1 2.76Å; H803-D879 IonicContact NE2-OD1 3.47Å; H803-D879 PolarHBondContact NE2-OD1 2.84Å; H803-D879 IonicContact NE2-OD2 3.66Å; L870-D879 HydrophobicContact CD2-CB 3.8Å; L870-D879 WeakPolarHBondContact CD2-OD2 3.41Å; L870-D879 CarbonylContact O-C 3.59Å; R875-D879 HydrophobicContact CB-CB 3.87Å; R875-D879 IonicContact CZ-OD2 2.65Å; R875-D879 IonicContact NE-OD2 3.3Å; R875-D879 PolarHBondContact NE-OD2 3.35Å; R875-D879 IonicContact NH2-OD1 3.45Å; R875-D879 IonicContact NH2-OD2 2.69Å; R875-D879 PolarHBondContact NH2-OD2 2.89Å; P876-D879 WeakPolarHBondContact O-CB 3.42Å; P876-D879 PolarHBondContact O-N 2.85Å; D879-Q881 VanDerWaalsContact C-N 3.34Å; D879-Q881 PolarHBondContact O-N 2.95Å; D879-W882 PolarHBondContact O-N 3.08Å; D879-G883 WeakPolarHBondContact O-CA 3.37Å; D879-G883 PolarHBondContact O-N 3.38Å
880	L	97.1	Very high	95.1	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-42.2	179	-179.7	61.8	0	0	0	111.1	L871 P876 W877 S878 I884 T908 V920	L871-L880 HydrophobicContact CD2-CD1 4.02Å; P876-L880 PolarHBondContact O-N 3.22Å; W877-L880 WeakPolarHBondContact O-CB 3.49Å; W877-L880 PolarHBondContact O-N 3.42Å; S878-L880 VanDerWaalsContact C-N 3.25Å; S878-L880 PolarHBondContact O-N 2.78Å; L880-I884 HydrophobicContact CD1-CD1 4Å; L880-I884 HydrophobicContact CD1-CG1 4.37Å; L880-I884 HydrophobicContact CG-CD1 4Å; L880-I884 WeakPolarHBondContact O-CB 3.32Å; L880-I884 VanDerWaalsContact O-CD1 3.31Å; L880-I884 WeakPolarHBondContact O-CD1 3.46Å; L880-I884 WeakPolarHBondContact O-CG1 3.47Å; L880-I884 PolarHBondContact O-N 3.09Å; L880-T908 HydrophobicContact CD1-CG2 3.51Å; L880-V920 HydrophobicContact CD2-CG1 3.75Å; L880-V920 HydrophobicContact CD2-CG2 4.47Å; L880-V920 HydrophobicContact CG-CG1 3.99Å
881	Q	96.9	Very high	95.1	Very high	34 Å²	34	34.7 Å²	34.7	16%	0.159	17%	0.167	C	C	.	.	H	α-helix	trans	-58.6	-58.6	174.5	176.3	-166.3	0.2	0	0	110.9	W877 S878 D879 G883 I884 C885 D919 V920 A923	W877-Q881 VanDerWaalsContact CZ3-OE1 3.23Å; W877-Q881 PolarHBondContact O-N 2.78Å; S878-Q881 WeakPolarHBondContact O-CB 3.42Å; S878-Q881 PolarHBondContact O-N 3.39Å; D879-Q881 VanDerWaalsContact C-N 3.34Å; D879-Q881 PolarHBondContact O-N 2.95Å; Q881-G883 VanDerWaalsContact C-N 3.33Å; Q881-G883 PolarHBondContact O-N 3.14Å; Q881-I884 WeakPolarHBondContact O-CB 3.39Å; Q881-I884 PolarHBondContact O-N 3.13Å; Q881-I884 VanDerWaalsContact O-N 3.09Å; Q881-C885 PolarHBondContact O-N 3.13Å; Q881-C885 PolarHBondContact O-SG 3.4Å; Q881-D919 HydrophobicContact CG-CB 4.38Å; Q881-V920 HydrophobicContact CB-CG2 4.2Å; Q881-A923 HydrophobicContact CG-CB 4.3Å
882	W	97	Very high	95.1	Very high	56 Å²	56	34.6 Å²	34.6	21%	0.212	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-34.6	-176.2	-71.4	116.7	0	0	0	112.7	L838 S839 C842 S878 D879 I884 C885 L886	L838-W882 HydrophobicContact CD2-CB 3.92Å; L838-W882 HydrophobicContact CD2-CG 4.17Å; L838-W882 HydrophobicContact CG-CB 4.08Å; L838-W882 HydrophobicContact CG-CG 4.19Å; S839-W882 VanDerWaalsContact CB-CH2 3.44Å; C842-W882 HydrophobicContact CB-CE3 3.81Å; C842-W882 HydrophobicContact CB-CZ3 4.18Å; S878-W882 PolarHBondContact O-N 2.89Å; D879-W882 PolarHBondContact O-N 3.08Å; W882-I884 VanDerWaalsContact C-N 3.34Å; W882-I884 PolarHBondContact O-N 3.34Å; W882-C885 HydrophobicContact CE3-CB 4.2Å; W882-C885 PolarHBondContact O-N 3.01Å; W882-L886 WeakPolarHBondContact O-CG 3.37Å; W882-L886 PolarHBondContact O-N 3.09Å
883	G	97.2	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-44.7	170.1	0	0	0	0	0	111.7	D879 Q881 L886 W887	D879-G883 WeakPolarHBondContact O-CA 3.37Å; D879-G883 PolarHBondContact O-N 3.38Å; Q881-G883 VanDerWaalsContact C-N 3.33Å; Q881-G883 PolarHBondContact O-N 3.14Å; G883-L886 PolarHBondContact O-N 3.45Å; G883-W887 PolarHBondContact O-N 2.76Å
884	I	98.1	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-46.6	174.4	-69.7	162.2	0	0	0	110.6	L871 L880 Q881 W882 L886 W887 D888 F909 A912 V920 A923 V924	L871-I884 HydrophobicContact CD2-CG1 3.98Å; L880-I884 HydrophobicContact CD1-CD1 4Å; L880-I884 HydrophobicContact CD1-CG1 4.37Å; L880-I884 HydrophobicContact CG-CD1 4Å; L880-I884 WeakPolarHBondContact O-CB 3.32Å; L880-I884 VanDerWaalsContact O-CD1 3.31Å; L880-I884 WeakPolarHBondContact O-CD1 3.46Å; L880-I884 WeakPolarHBondContact O-CG1 3.47Å; L880-I884 PolarHBondContact O-N 3.09Å; Q881-I884 WeakPolarHBondContact O-CB 3.39Å; Q881-I884 PolarHBondContact O-N 3.13Å; Q881-I884 VanDerWaalsContact O-N 3.09Å; W882-I884 VanDerWaalsContact C-N 3.34Å; W882-I884 PolarHBondContact O-N 3.34Å; I884-L886 VanDerWaalsContact C-N 3.29Å; I884-L886 PolarHBondContact O-N 2.99Å; I884-W887 CarbonylContact O-C 3.54Å; I884-W887 WeakPolarHBondContact O-CA 3.35Å; I884-W887 WeakPolarHBondContact O-CB 3.36Å; I884-W887 PolarHBondContact O-N 3.12Å; I884-D888 VanDerWaalsContact O-CG 3.31Å; I884-D888 PolarHBondContact O-N 2.84Å; I884-F909 HydrophobicContact CB-CE1 4.48Å; I884-F909 HydrophobicContact CG1-CE1 4.3Å; I884-F909 HydrophobicContact CG2-CE1 3.82Å; I884-F909 HydrophobicContact CG2-CZ 4.08Å; I884-A912 HydrophobicContact CD1-CB 3.71Å; I884-V920 HydrophobicContact CD1-CG1 4.03Å; I884-A923 HydrophobicContact CB-CB 4.12Å; I884-A923 HydrophobicContact CG2-CB 3.74Å; I884-V924 HydrophobicContact CD1-CB 4.38Å; I884-V924 HydrophobicContact CG2-CB 4.24Å
885	C	97.2	Very high	95.8	Very high	27 Å²	27	18 Å²	18	18%	0.182	9%	0.087	C	C	.	.	H	α-helix	trans	-54.3	-44.6	177.6	-66.4	0	0	0	0	111.7	Q881 W882 W887 D888 E889	Q881-C885 PolarHBondContact O-N 3.13Å; Q881-C885 PolarHBondContact O-SG 3.4Å; W882-C885 HydrophobicContact CE3-CB 4.2Å; W882-C885 PolarHBondContact O-N 3.01Å; C885-W887 VanDerWaalsContact C-N 3.27Å; C885-W887 PolarHBondContact O-N 3.4Å; C885-D888 WeakPolarHBondContact O-CB 3.41Å; C885-D888 PolarHBondContact O-N 3.16Å; C885-E889 WeakPolarHBondContact O-CG 3.5Å; C885-E889 PolarHBondContact O-N 3.01Å
886	L	97.1	Very high	96	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-59	-35.7	175.4	-73.8	167.2	0	0	0	113.1	F800 C842 V845 L870 W882 G883 I884 E889 I890	F800-L886 HydrophobicContact CZ-CD1 4.16Å; C842-L886 HydrophobicContact CB-CD2 4.22Å; C842-L886 HydrophobicContact CB-CG 4.5Å; V845-L886 HydrophobicContact CB-CD2 3.76Å; V845-L886 HydrophobicContact CG1-CD2 3.74Å; V845-L886 HydrophobicContact CG2-CD2 3.98Å; L870-L886 HydrophobicContact CD1-CD1 3.84Å; W882-L886 WeakPolarHBondContact O-CG 3.37Å; W882-L886 PolarHBondContact O-N 3.09Å; G883-L886 PolarHBondContact O-N 3.45Å; I884-L886 VanDerWaalsContact C-N 3.29Å; I884-L886 PolarHBondContact O-N 2.99Å; L886-E889 WeakPolarHBondContact O-CB 3.45Å; L886-I890 WeakPolarHBondContact O-CG1 3.43Å
887	W	97	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-75.4	-32.1	174.9	-71.5	110.2	0	0	0	112.6	F860 M864 C867 V868 G883 I884 C885 E889 I890 I891 F901 F904 F905 F909	F860-W887 HydrophobicContact CE1-CE3 4.22Å; F860-W887 AromaticContact CE1-CH2 3.93Å; F860-W887 HydrophobicContact CE1-CH2 3.93Å; F860-W887 AromaticContact CE1-CZ3 3.67Å; F860-W887 HydrophobicContact CE1-CZ3 3.67Å; F860-W887 HydrophobicContact CZ-CD2 4.46Å; F860-W887 HydrophobicContact CZ-CE3 4.12Å; F860-W887 HydrophobicContact CZ-CH2 4.15Å; F860-W887 HydrophobicContact CZ-CZ2 4.44Å; F860-W887 AromaticContact CZ-CZ3 3.96Å; F860-W887 HydrophobicContact CZ-CZ3 3.96Å; M864-W887 HydrophobicContact CG-CH2 3.73Å; M864-W887 HydrophobicContact CG-CZ2 4.16Å; M864-W887 HydrophobicContact SD-CH2 4.11Å; C867-W887 HydrophobicContact CB-CZ2 4.18Å; V868-W887 HydrophobicContact CG2-CZ2 3.96Å; G883-W887 PolarHBondContact O-N 2.76Å; I884-W887 CarbonylContact O-C 3.54Å; I884-W887 WeakPolarHBondContact O-CA 3.35Å; I884-W887 WeakPolarHBondContact O-CB 3.36Å; I884-W887 PolarHBondContact O-N 3.12Å; C885-W887 VanDerWaalsContact C-N 3.27Å; C885-W887 PolarHBondContact O-N 3.4Å; W887-E889 VanDerWaalsContact C-N 3.27Å; W887-E889 PolarHBondContact O-N 3.17Å; W887-I890 HydrophobicContact CE3-CB 4.45Å; W887-I890 HydrophobicContact CE3-CG1 4.02Å; W887-I890 HydrophobicContact CZ3-CG1 4.45Å; W887-I890 WeakPolarHBondContact O-CB 3.37Å; W887-I890 PolarHBondContact O-N 2.89Å; W887-I890 VanDerWaalsContact O-N 3.13Å; W887-I891 WeakPolarHBondContact O-CG1 3.45Å; W887-I891 PolarHBondContact O-N 2.97Å; W887-I891 VanDerWaalsContact O-N 3.1Å; W887-F901 HydrophobicContact CH2-CB 4.19Å; W887-F901 HydrophobicContact CZ3-CB 3.63Å; W887-F901 HydrophobicContact CZ3-CG 4.14Å; W887-F904 HydrophobicContact CH2-CB 3.88Å; W887-F904 HydrophobicContact CH2-CD2 4.41Å; W887-F904 HydrophobicContact CH2-CG 4.4Å; W887-F904 HydrophobicContact CZ2-CB 3.85Å; W887-F905 HydrophobicContact CB-CB 4.05Å; W887-F905 HydrophobicContact CB-CG 4.15Å; W887-F905 HydrophobicContact CD2-CB 3.78Å; W887-F905 AromaticContact CD2-CD1 3.76Å; W887-F905 HydrophobicContact CD2-CD1 3.76Å; W887-F905 HydrophobicContact CD2-CG 4.03Å; W887-F905 HydrophobicContact CE3-CB 4.38Å; W887-F905 AromaticContact CE3-CD1 3.44Å; W887-F905 HydrophobicContact CE3-CD1 3.44Å; W887-F905 VanDerWaalsContact CE3-CD1 3.44Å; W887-F905 HydrophobicContact CE3-CE1 4.03Å; W887-F905 HydrophobicContact CE3-CG 4.16Å; W887-F905 HydrophobicContact CG-CB 3.59Å; W887-F905 HydrophobicContact CG-CD1 4.22Å; W887-F905 HydrophobicContact CG-CG 4.03Å; W887-F905 AromaticContact CZ3-CD1 3.89Å; W887-F905 HydrophobicContact CZ3-CD1 3.89Å; W887-F905 HydrophobicContact CZ3-CE1 4.38Å; W887-F909 HydrophobicContact CB-CE1 4.4Å; W887-F909 HydrophobicContact CB-CZ 4.41Å
888	D	96.7	Very high	96.3	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-41.6	173.1	-61.5	-22.3	0	0	0	110.6	I884 C885 I890 I891 E892 F909 Y926 G927	I884-D888 VanDerWaalsContact O-CG 3.31Å; I884-D888 PolarHBondContact O-N 2.84Å; C885-D888 WeakPolarHBondContact O-CB 3.41Å; C885-D888 PolarHBondContact O-N 3.16Å; D888-I890 VanDerWaalsContact C-N 3.29Å; D888-I890 PolarHBondContact O-N 2.72Å; D888-I891 PolarHBondContact O-N 3.37Å; D888-I891 VanDerWaalsContact O-N 3.13Å; D888-E892 VanDerWaalsContact O-CB 3.27Å; D888-E892 WeakPolarHBondContact O-CB 3.48Å; D888-E892 PolarHBondContact O-N 3.02Å; D888-F909 VanDerWaalsContact OD1-CZ 3.25Å; D888-F909 WeakPolarHBondContact OD1-CZ 3.49Å; D888-Y926 HydrophobicContact CB-CD1 3.91Å; D888-Y926 HydrophobicContact CB-CE1 4.19Å; D888-G927 VanDerWaalsContact CG-CA 3.49Å; D888-G927 WeakPolarHBondContact OD1-CA 3.4Å
889	E	95.1	Very high	96.4	Very high	26 Å²	26	19.7 Å²	19.7	12%	0.121	10%	0.099	C	C	.	.	H	α-helix	trans	-55.7	-42.7	173.3	-61.4	-53.9	153.7	0	0	112.1	H846 F849 C885 L886 W887 I891 E892 F893	H846-E889 HydrophobicContact CB-CG 4.49Å; H846-E889 IonicContact CE1-OE1 2.77Å; H846-E889 IonicContact CE1-OE2 3.76Å; H846-E889 IonicContact CG-OE1 2.8Å; H846-E889 IonicContact CG-OE2 3.76Å; H846-E889 IonicContact ND1-OE1 2.84Å; H846-E889 PolarHBondContact ND1-OE1 2.84Å; H846-E889 IonicContact ND1-OE2 3.63Å; H846-E889 PolarHBondContact ND1-OE2 2.87Å; F849-E889 HydrophobicContact CD2-CB 4.2Å; C885-E889 WeakPolarHBondContact O-CG 3.5Å; C885-E889 PolarHBondContact O-N 3.01Å; L886-E889 WeakPolarHBondContact O-CB 3.45Å; W887-E889 VanDerWaalsContact C-N 3.27Å; W887-E889 PolarHBondContact O-N 3.17Å; E889-I891 PolarHBondContact O-N 3.21Å; E889-E892 PolarHBondContact O-N 2.88Å; E889-F893 WeakPolarHBondContact O-CB 3.39Å; E889-F893 WeakPolarHBondContact O-CD2 3.28Å; E889-F893 PolarHBondContact O-N 3.06Å; E889-F893 VanDerWaalsContact OE2-CD2 3.27Å; E889-F893 WeakPolarHBondContact OE2-CD2 3.35Å; E889-F893 WeakPolarHBondContact OE2-CE2 3.42Å
890	I	96.3	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-45.7	178	-52.7	-51.9	0	0	0	110.7	F849 L857 F860 L886 W887 D888 E892 T894 F901	F849-I890 HydrophobicContact CD2-CD1 4.3Å; F849-I890 HydrophobicContact CE1-CD1 3.77Å; F849-I890 HydrophobicContact CE2-CD1 3.35Å; F849-I890 HydrophobicContact CZ-CD1 3.03Å; L857-I890 HydrophobicContact CD2-CG2 4.31Å; F860-I890 HydrophobicContact CB-CD1 4.27Å; F860-I890 HydrophobicContact CD1-CD1 3.5Å; F860-I890 VanDerWaalsContact CD1-CD1 3.5Å; F860-I890 HydrophobicContact CD1-CG1 4.06Å; F860-I890 HydrophobicContact CD2-CD1 3.61Å; F860-I890 HydrophobicContact CD2-CG1 4.45Å; F860-I890 HydrophobicContact CE1-CD1 3.6Å; F860-I890 HydrophobicContact CE1-CG1 3.63Å; F860-I890 HydrophobicContact CE2-CD1 3.69Å; F860-I890 HydrophobicContact CE2-CG1 4.04Å; F860-I890 HydrophobicContact CG-CD1 3.5Å; F860-I890 HydrophobicContact CG-CG1 4.44Å; F860-I890 HydrophobicContact CZ-CD1 3.68Å; F860-I890 HydrophobicContact CZ-CG1 3.61Å; L886-I890 WeakPolarHBondContact O-CG1 3.43Å; W887-I890 HydrophobicContact CE3-CB 4.45Å; W887-I890 HydrophobicContact CE3-CG1 4.02Å; W887-I890 HydrophobicContact CZ3-CG1 4.45Å; W887-I890 WeakPolarHBondContact O-CB 3.37Å; W887-I890 PolarHBondContact O-N 2.89Å; W887-I890 VanDerWaalsContact O-N 3.13Å; D888-I890 VanDerWaalsContact C-N 3.29Å; D888-I890 PolarHBondContact O-N 2.72Å; I890-E892 VanDerWaalsContact C-N 3.34Å; I890-T894 HydrophobicContact CG2-CG2 4.46Å; I890-T894 VanDerWaalsContact O-CB 3.28Å; I890-T894 WeakPolarHBondContact O-CB 3.44Å; I890-T894 WeakPolarHBondContact O-CG2 3Å; I890-T894 PolarHBondContact O-N 2.99Å; I890-T894 PolarHBondContact O-OG1 3.17Å; I890-F901 HydrophobicContact CG2-CD2 4.04Å; I890-F901 HydrophobicContact CG2-CE2 4.34Å
891	I	97.2	Very high	96.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-46.4	-179.8	-60.7	168.4	0	0	0	109.9	W887 D888 E889 G895 F905 F909 V930 A931	W887-I891 WeakPolarHBondContact O-CG1 3.45Å; W887-I891 PolarHBondContact O-N 2.97Å; W887-I891 VanDerWaalsContact O-N 3.1Å; D888-I891 PolarHBondContact O-N 3.37Å; D888-I891 VanDerWaalsContact O-N 3.13Å; E889-I891 PolarHBondContact O-N 3.21Å; I891-G895 WeakPolarHBondContact O-CA 3.43Å; I891-G895 PolarHBondContact O-N 3.18Å; I891-F905 HydrophobicContact CD1-CD2 4.44Å; I891-F905 HydrophobicContact CD1-CE2 3.77Å; I891-F905 HydrophobicContact CD1-CZ 4.2Å; I891-F905 HydrophobicContact CG1-CE2 4.31Å; I891-F905 HydrophobicContact CG1-CZ 4.24Å; I891-F909 HydrophobicContact CD1-CE2 3.87Å; I891-F909 HydrophobicContact CD1-CZ 4.08Å; I891-V930 HydrophobicContact CB-CG2 4.13Å; I891-V930 HydrophobicContact CG2-CG2 3.89Å; I891-A931 VanDerWaalsContact CG2-CA 3.47Å; I891-A931 HydrophobicContact CG2-CB 3.89Å
892	E	96.1	Very high	96.2	Very high	13 Å²	13	24.9 Å²	24.9	6%	0.061	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-53.1	-177	170.5	142.6	-140.8	0	0	112.4	D888 E889 I890 Y926 V930 K934	D888-E892 VanDerWaalsContact O-CB 3.27Å; D888-E892 WeakPolarHBondContact O-CB 3.48Å; D888-E892 PolarHBondContact O-N 3.02Å; E889-E892 PolarHBondContact O-N 2.88Å; I890-E892 VanDerWaalsContact C-N 3.34Å; E892-Y926 PolarHBondContact OE2-OH 3.18Å; E892-V930 HydrophobicContact CB-CB 4.43Å; E892-K934 HydrophobicContact CG-CD 4.1Å; E892-K934 VanDerWaalsContact CG-NZ 3.34Å; E892-K934 WeakPolarHBondContact O-CD 3.36Å; E892-K934 IonicContact OE1-NZ 2.72Å; E892-K934 PolarHBondContact OE1-NZ 3.22Å
893	F	96.1	Very high	96.2	Very high	23 Å²	23	29.2 Å²	29.2	10%	0.101	15%	0.145	C	C	.	.	H	α-helix	trans	-89.2	-14.3	-170.5	-73.1	-78.3	0	0	0	114	H846 F849 A850 E889 A1073	H846-F893 AromaticContact CE1-CE2 3.81Å; H846-F893 AromaticContact CE1-CZ 3.88Å; H846-F893 AromaticContact ND1-CE2 3.93Å; F849-F893 HydrophobicContact CB-CB 3.77Å; F849-F893 HydrophobicContact CB-CD1 4.4Å; F849-F893 HydrophobicContact CB-CD2 3.66Å; F849-F893 HydrophobicContact CB-CE2 4.39Å; F849-F893 HydrophobicContact CB-CG 3.68Å; F849-F893 HydrophobicContact CD1-CB 3.91Å; F849-F893 HydrophobicContact CG-CB 4.19Å; F849-F893 VanDerWaalsContact O-CD1 3.26Å; F849-F893 WeakPolarHBondContact O-CD1 3.36Å; A850-F893 HydrophobicContact CB-CE1 4Å; A850-F893 HydrophobicContact CB-CZ 4.01Å; E889-F893 WeakPolarHBondContact O-CB 3.39Å; E889-F893 WeakPolarHBondContact O-CD2 3.28Å; E889-F893 PolarHBondContact O-N 3.06Å; E889-F893 VanDerWaalsContact OE2-CD2 3.27Å; E889-F893 WeakPolarHBondContact OE2-CD2 3.35Å; E889-F893 WeakPolarHBondContact OE2-CE2 3.42Å; F893-A1073 HydrophobicContact CD1-CB 4.5Å; F893-A1073 HydrophobicContact CE1-CB 3.43Å; F893-A1073 VanDerWaalsContact CE1-CB 3.43Å; F893-A1073 HydrophobicContact CZ-CB 3.9Å
894	T	96	Very high	96.1	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-117.5	-7.5	-178.8	84.2	0	0	0	0	114.4	F849 L857 I890 T896 Q897 S898	F849-T894 HydrophobicContact CD1-CG2 4.18Å; F849-T894 HydrophobicContact CE1-CG2 3.84Å; L857-T894 HydrophobicContact CD1-CG2 4.34Å; L857-T894 HydrophobicContact CD2-CG2 3.75Å; L857-T894 HydrophobicContact CG-CG2 3.9Å; I890-T894 HydrophobicContact CG2-CG2 4.46Å; I890-T894 VanDerWaalsContact O-CB 3.28Å; I890-T894 WeakPolarHBondContact O-CB 3.44Å; I890-T894 WeakPolarHBondContact O-CG2 3Å; I890-T894 PolarHBondContact O-N 2.99Å; I890-T894 PolarHBondContact O-OG1 3.17Å; T894-T896 PolarHBondContact O-N 2.94Å; T894-Q897 WeakPolarHBondContact O-CB 3.49Å; T894-Q897 PolarHBondContact O-N 2.91Å; T894-Q897 VanDerWaalsContact O-N 3.11Å; T894-Q897 PolarHBondContact O-OE1 3.28Å; T894-S898 PolarHBondContact OG1-N 3.01Å
895	G	94.4	Very high	96	Very high	11 Å²	11	33.4 Å²	33.4	11%	0.113	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	53.8	-124	171.9	0	0	0	0	0	112.9	I891 Q897 S898 K934	I891-G895 WeakPolarHBondContact O-CA 3.43Å; I891-G895 PolarHBondContact O-N 3.18Å; G895-Q897 PolarHBondContact O-N 3.49Å; G895-Q897 VanDerWaalsContact O-N 3.1Å; G895-S898 WeakPolarHBondContact O-CB 3.46Å; G895-S898 PolarHBondContact O-N 3.08Å; G895-S898 VanDerWaalsContact O-N 3.08Å; G895-S898 PolarHBondContact O-OG 2.84Å; G895-K934 CarbonylContact C-O 3.6Å; G895-K934 WeakPolarHBondContact CA-O 3.31Å
896	T	95.3	Very high	95.9	Very high	64 Å²	64	33 Å²	33	39%	0.393	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-52.7	-31.1	178.9	39.7	0	0	0	0	114.6	T894 S898 W899 G935	T894-T896 PolarHBondContact O-N 2.94Å; T896-S898 VanDerWaalsContact C-N 3.25Å; T896-S898 PolarHBondContact O-N 3.27Å; T896-W899 WeakPolarHBondContact O-CB 3.41Å; T896-W899 PolarHBondContact O-N 2.91Å; T896-G935 VanDerWaalsContact CA-O 3.25Å; T896-G935 WeakPolarHBondContact CA-O 3.31Å; T896-G935 PolarHBondContact N-O 2.96Å
897	Q	95.8	Very high	95.8	Very high	80 Å²	80	36.1 Å²	36.1	37%	0.374	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-72	-23.4	-175.8	-71.8	79	-27.9	0	0	111.7	V854 L857 T894 G895 W899 Q900	V854-Q897 HydrophobicContact CG1-CG 4.17Å; L857-Q897 HydrophobicContact CD1-CB 4.03Å; T894-Q897 WeakPolarHBondContact O-CB 3.49Å; T894-Q897 PolarHBondContact O-N 2.91Å; T894-Q897 VanDerWaalsContact O-N 3.11Å; T894-Q897 PolarHBondContact O-OE1 3.28Å; G895-Q897 PolarHBondContact O-N 3.49Å; G895-Q897 VanDerWaalsContact O-N 3.1Å; Q897-W899 PolarHBondContact O-N 3.38Å; Q897-Q900 VanDerWaalsContact O-CG 3.25Å; Q897-Q900 WeakPolarHBondContact O-CG 3.4Å; Q897-Q900 PolarHBondContact O-N 3.23Å; Q897-Q900 PolarHBondContact O-NE2 3.13Å
898	S	95.8	Very high	95.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61.2	-28.5	176.1	65.1	0	0	0	0	112.6	T894 G895 T896 Q900 F901 Y939	T894-S898 PolarHBondContact OG1-N 3.01Å; G895-S898 WeakPolarHBondContact O-CB 3.46Å; G895-S898 PolarHBondContact O-N 3.08Å; G895-S898 VanDerWaalsContact O-N 3.08Å; G895-S898 PolarHBondContact O-OG 2.84Å; T896-S898 VanDerWaalsContact C-N 3.25Å; T896-S898 PolarHBondContact O-N 3.27Å; S898-Q900 PolarHBondContact O-N 3.18Å; S898-F901 PolarHBondContact O-N 2.96Å; S898-Y939 WeakPolarHBondContact CB-OH 3.33Å; S898-Y939 WeakPolarHBondContact OG-CE2 3.16Å; S898-Y939 PolarHBondContact OG-OH 2.75Å
899	W	96.2	Very high	95.8	Very high	43 Å²	43	37.2 Å²	37.2	16%	0.163	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-59.1	-25.5	-178.2	-174.1	-100.3	0	0	0	113	T896 Q897 F901 H902 L906 E938 Y939 Q941	T896-W899 WeakPolarHBondContact O-CB 3.41Å; T896-W899 PolarHBondContact O-N 2.91Å; Q897-W899 PolarHBondContact O-N 3.38Å; W899-F901 PolarHBondContact O-N 3.47Å; W899-F901 VanDerWaalsContact O-N 3.11Å; W899-H902 HydrophobicContact CD2-CB 4.19Å; W899-H902 AromaticContact CE2-ND1 3.95Å; W899-H902 HydrophobicContact CE3-CB 4.12Å; W899-H902 HydrophobicContact CZ3-CB 4.34Å; W899-H902 AromaticContact NE1-ND1 3.84Å; W899-H902 WeakPolarHBondContact O-CB 3.37Å; W899-H902 PolarHBondContact O-N 3.11Å; W899-H902 VanDerWaalsContact O-N 3.14Å; W899-H902 PolarHBondContact O-ND1 2.93Å; W899-L906 HydrophobicContact CH2-CD1 4.12Å; W899-L906 HydrophobicContact CZ3-CD1 3.92Å; W899-E938 HydrophobicContact CB-CB 4.14Å; W899-E938 HydrophobicContact CB-CG 4.49Å; W899-E938 HydrophobicContact CD2-CB 3.52Å; W899-E938 HydrophobicContact CD2-CG 4.46Å; W899-E938 HydrophobicContact CE3-CB 3.97Å; W899-E938 HydrophobicContact CG-CB 3.56Å; W899-E938 HydrophobicContact CG-CG 4.05Å; W899-E938 WeakPolarHBondContact CH2-O 3.34Å; W899-Y939 HydrophobicContact CB-CE2 4.3Å; W899-Y939 AromaticContact CE3-CD1 3.81Å; W899-Y939 HydrophobicContact CE3-CD1 3.81Å; W899-Y939 AromaticContact CE3-CD2 3.78Å; W899-Y939 HydrophobicContact CE3-CD2 3.78Å; W899-Y939 AromaticContact CE3-CE1 3.82Å; W899-Y939 HydrophobicContact CE3-CE1 3.82Å; W899-Y939 AromaticContact CE3-CE2 3.82Å; W899-Y939 HydrophobicContact CE3-CE2 3.82Å; W899-Y939 AromaticContact CE3-CG 3.8Å; W899-Y939 HydrophobicContact CE3-CG 3.8Å; W899-Y939 AromaticContact CE3-CZ 3.83Å; W899-Y939 AromaticContact CZ3-CD1 3.68Å; W899-Y939 HydrophobicContact CZ3-CD1 3.68Å; W899-Y939 HydrophobicContact CZ3-CD2 4.33Å; W899-Y939 HydrophobicContact CZ3-CE1 4Å; W899-Y939 AromaticContact CZ3-CG 3.87Å; W899-Y939 HydrophobicContact CZ3-CG 3.87Å; W899-Q941 HydrophobicContact CH2-CB 4.31Å; W899-Q941 VanDerWaalsContact CZ2-NE2 3.34Å
900	Q	95.3	Very high	95.8	Very high	110 Å²	110	39.2 Å²	39.2	51%	0.514	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-62.2	-20.9	176.8	77.7	-167.7	-46.8	0	0	113.2	Q897 S898	Q897-Q900 VanDerWaalsContact O-CG 3.25Å; Q897-Q900 WeakPolarHBondContact O-CG 3.4Å; Q897-Q900 PolarHBondContact O-N 3.23Å; Q897-Q900 PolarHBondContact O-NE2 3.13Å; S898-Q900 PolarHBondContact O-N 3.18Å
901	F	95.8	Very high	95.8	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.048	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-101.8	4.2	-179.8	-50.3	-69.3	0	0	0	113.6	L857 Q861 M864 W887 I890 S898 W899 Q903 F904 F905	L857-F901 HydrophobicContact CD2-CE2 3.68Å; L857-F901 HydrophobicContact CD2-CZ 4.19Å; Q861-F901 HydrophobicContact CG-CE1 4.08Å; Q861-F901 HydrophobicContact CG-CZ 3.99Å; M864-F901 HydrophobicContact SD-CD1 3.89Å; M864-F901 HydrophobicContact SD-CE1 4.16Å; W887-F901 HydrophobicContact CH2-CB 4.19Å; W887-F901 HydrophobicContact CZ3-CB 3.63Å; W887-F901 HydrophobicContact CZ3-CG 4.14Å; I890-F901 HydrophobicContact CG2-CD2 4.04Å; I890-F901 HydrophobicContact CG2-CE2 4.34Å; S898-F901 PolarHBondContact O-N 2.96Å; W899-F901 PolarHBondContact O-N 3.47Å; W899-F901 VanDerWaalsContact O-N 3.11Å; F901-Q903 PolarHBondContact O-N 3.01Å; F901-F904 HydrophobicContact CB-CD2 4.1Å; F901-F904 HydrophobicContact CD1-CD2 4.47Å; F901-F904 HydrophobicContact CD1-CE2 4.47Å; F901-F904 WeakPolarHBondContact O-CB 3.44Å; F901-F904 WeakPolarHBondContact O-CD2 3.45Å; F901-F904 PolarHBondContact O-N 3.42Å; F901-F905 VanDerWaalsContact C-CE1 3.47Å; F901-F905 HydrophobicContact CB-CD1 4.42Å; F901-F905 HydrophobicContact CB-CE1 4.03Å; F901-F905 VanDerWaalsContact O-CD1 3.29Å; F901-F905 WeakPolarHBondContact O-CD1 3.47Å; F901-F905 WeakPolarHBondContact O-CE1 3.45Å
902	H	94.9	Very high	95.7	Very high	50 Å²	50	44.5 Å²	44.5	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-53.3	-30	-171.4	74	-84.8	0	0	0	114.6	W899 F904 F905 L906	W899-H902 HydrophobicContact CD2-CB 4.19Å; W899-H902 AromaticContact CE2-ND1 3.95Å; W899-H902 HydrophobicContact CE3-CB 4.12Å; W899-H902 HydrophobicContact CZ3-CB 4.34Å; W899-H902 AromaticContact NE1-ND1 3.84Å; W899-H902 WeakPolarHBondContact O-CB 3.37Å; W899-H902 PolarHBondContact O-N 3.11Å; W899-H902 VanDerWaalsContact O-N 3.14Å; W899-H902 PolarHBondContact O-ND1 2.93Å; H902-F904 PolarHBondContact O-N 3.37Å; H902-F905 HydrophobicContact CB-CZ 4.41Å; H902-L906 HydrophobicContact CB-CD1 3.65Å; H902-L906 HydrophobicContact CB-CG 4.01Å; H902-L906 VanDerWaalsContact O-CB 3.22Å; H902-L906 WeakPolarHBondContact O-CB 3.41Å; H902-L906 WeakPolarHBondContact O-CG 3.46Å; H902-L906 PolarHBondContact O-N 2.68Å
903	Q	95.7	Very high	95.8	Very high	147 Å²	147	44 Å²	44	69%	0.687	22%	0.223	S	C	*	.	H	α-helix	trans	-66.6	-22.4	179.7	-62	-174.6	-5.2	0	0	113.4	F901	F901-Q903 PolarHBondContact O-N 3.01Å
904	F	95.9	Very high	95.7	Very high	87 Å²	87	48.3 Å²	48.3	38%	0.382	24%	0.243	S	C	.	.	H	α-helix	trans	-83.9	-32.5	-177.2	-63.5	-68.2	0	0	0	113	M864 V868 W887 F901 H902	M864-F904 HydrophobicContact CE-CE2 4.12Å; M864-F904 HydrophobicContact CE-CZ 4.05Å; M864-F904 HydrophobicContact SD-CD2 4.16Å; M864-F904 HydrophobicContact SD-CE2 4.03Å; V868-F904 HydrophobicContact CG2-CB 4.05Å; V868-F904 HydrophobicContact CG2-CD1 3.79Å; V868-F904 HydrophobicContact CG2-CG 4.13Å; W887-F904 HydrophobicContact CH2-CB 3.88Å; W887-F904 HydrophobicContact CH2-CD2 4.41Å; W887-F904 HydrophobicContact CH2-CG 4.4Å; W887-F904 HydrophobicContact CZ2-CB 3.85Å; F901-F904 HydrophobicContact CB-CD2 4.1Å; F901-F904 HydrophobicContact CD1-CD2 4.47Å; F901-F904 HydrophobicContact CD1-CE2 4.47Å; F901-F904 WeakPolarHBondContact O-CB 3.44Å; F901-F904 WeakPolarHBondContact O-CD2 3.45Å; F901-F904 PolarHBondContact O-N 3.42Å; H902-F904 PolarHBondContact O-N 3.37Å
905	F	95.6	Very high	95.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-121.1	-29.2	-171.9	65.2	-95.2	0	0	0	114.7	L871 W887 I891 F901 H902 T908 F909 Y939	L871-F905 HydrophobicContact CD1-CB 4.12Å; W887-F905 HydrophobicContact CB-CB 4.05Å; W887-F905 HydrophobicContact CB-CG 4.15Å; W887-F905 HydrophobicContact CD2-CB 3.78Å; W887-F905 AromaticContact CD2-CD1 3.76Å; W887-F905 HydrophobicContact CD2-CD1 3.76Å; W887-F905 HydrophobicContact CD2-CG 4.03Å; W887-F905 HydrophobicContact CE3-CB 4.38Å; W887-F905 AromaticContact CE3-CD1 3.44Å; W887-F905 HydrophobicContact CE3-CD1 3.44Å; W887-F905 VanDerWaalsContact CE3-CD1 3.44Å; W887-F905 HydrophobicContact CE3-CE1 4.03Å; W887-F905 HydrophobicContact CE3-CG 4.16Å; W887-F905 HydrophobicContact CG-CB 3.59Å; W887-F905 HydrophobicContact CG-CD1 4.22Å; W887-F905 HydrophobicContact CG-CG 4.03Å; W887-F905 AromaticContact CZ3-CD1 3.89Å; W887-F905 HydrophobicContact CZ3-CD1 3.89Å; W887-F905 HydrophobicContact CZ3-CE1 4.38Å; I891-F905 HydrophobicContact CD1-CD2 4.44Å; I891-F905 HydrophobicContact CD1-CE2 3.77Å; I891-F905 HydrophobicContact CD1-CZ 4.2Å; I891-F905 HydrophobicContact CG1-CE2 4.31Å; I891-F905 HydrophobicContact CG1-CZ 4.24Å; F901-F905 VanDerWaalsContact C-CE1 3.47Å; F901-F905 HydrophobicContact CB-CD1 4.42Å; F901-F905 HydrophobicContact CB-CE1 4.03Å; F901-F905 VanDerWaalsContact O-CD1 3.29Å; F901-F905 WeakPolarHBondContact O-CD1 3.47Å; F901-F905 WeakPolarHBondContact O-CE1 3.45Å; H902-F905 HydrophobicContact CB-CZ 4.41Å; F905-T908 WeakPolarHBondContact O-CA 3.13Å; F905-T908 WeakPolarHBondContact O-CB 3.21Å; F905-T908 PolarHBondContact O-N 3.1Å; F905-F909 HydrophobicContact CB-CD1 4.4Å; F905-F909 HydrophobicContact CB-CE1 4.14Å; F905-F909 HydrophobicContact CD2-CD1 4.1Å; F905-F909 HydrophobicContact CD2-CD2 4.44Å; F905-F909 AromaticContact CD2-CE1 3.85Å; F905-F909 HydrophobicContact CD2-CE1 3.85Å; F905-F909 HydrophobicContact CD2-CE2 4.21Å; F905-F909 HydrophobicContact CD2-CG 4.39Å; F905-F909 AromaticContact CD2-CZ 3.91Å; F905-F909 HydrophobicContact CD2-CZ 3.91Å; F905-F909 HydrophobicContact CG-CE1 4.43Å; F905-F909 VanDerWaalsContact O-CD1 3.25Å; F905-F909 WeakPolarHBondContact O-CD1 3.46Å; F905-F909 PolarHBondContact O-N 3.31Å; F905-Y939 HydrophobicContact CE2-CE1 4.44Å; F905-Y939 HydrophobicContact CZ-CE1 4.44Å; F905-Y939 WeakPolarHBondContact CZ-OH 3.47Å
906	L	95.8	Very high	95.7	Very high	18 Å²	18	58.8 Å²	58.8	9%	0.094	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-39.9	-177.7	-75.4	-174.8	0	0	0	114.2	W899 H902 T908 F909 V910 Y939 I942	W899-L906 HydrophobicContact CH2-CD1 4.12Å; W899-L906 HydrophobicContact CZ3-CD1 3.92Å; H902-L906 HydrophobicContact CB-CD1 3.65Å; H902-L906 HydrophobicContact CB-CG 4.01Å; H902-L906 VanDerWaalsContact O-CB 3.22Å; H902-L906 WeakPolarHBondContact O-CB 3.41Å; H902-L906 WeakPolarHBondContact O-CG 3.46Å; H902-L906 PolarHBondContact O-N 2.68Å; L906-T908 PolarHBondContact O-N 3.04Å; L906-F909 PolarHBondContact O-N 3.07Å; L906-F909 VanDerWaalsContact O-N 3.12Å; L906-V910 WeakPolarHBondContact O-CG2 3.16Å; L906-V910 PolarHBondContact O-N 2.88Å; L906-Y939 HydrophobicContact CD2-CE1 4.4Å; L906-I942 HydrophobicContact CD1-CG2 4.21Å; L906-I942 HydrophobicContact CD2-CG2 4.33Å
907	P	95.7	Very high	95.7	Very high	68 Å²	68	59.2 Å²	59.2	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-37.5	175.4	-25.1	35.5	0	0	0	112.3	Q911	P907-Q911 WeakPolarHBondContact O-CG 3.36Å; P907-Q911 PolarHBondContact O-N 3.23Å
908	T	96.4	Very high	95.7	Very high	22 Å²	22	56.1 Å²	56.1	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-68.5	-41.9	175.6	-54.1	0	0	0	0	110.8	L871 L880 F905 L906 V910 Q911 A912	L871-T908 HydrophobicContact CB-CG2 4.33Å; L871-T908 HydrophobicContact CD1-CG2 4.45Å; L871-T908 HydrophobicContact CD2-CG2 4.17Å; L880-T908 HydrophobicContact CD1-CG2 3.51Å; F905-T908 WeakPolarHBondContact O-CA 3.13Å; F905-T908 WeakPolarHBondContact O-CB 3.21Å; F905-T908 PolarHBondContact O-N 3.1Å; L906-T908 PolarHBondContact O-N 3.04Å; T908-V910 VanDerWaalsContact C-N 3.32Å; T908-V910 PolarHBondContact O-N 3.01Å; T908-Q911 PolarHBondContact O-N 2.84Å; T908-A912 VanDerWaalsContact O-CB 3.23Å; T908-A912 WeakPolarHBondContact O-CB 3.41Å; T908-A912 PolarHBondContact O-N 2.88Å
909	F	96.7	Very high	95.7	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.013	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-42.9	178	-79.8	32.6	0	0	0	112.2	I884 W887 D888 I891 F905 L906 Q911 A912 V913 V924 I928 F946	I884-F909 HydrophobicContact CB-CE1 4.48Å; I884-F909 HydrophobicContact CG1-CE1 4.3Å; I884-F909 HydrophobicContact CG2-CE1 3.82Å; I884-F909 HydrophobicContact CG2-CZ 4.08Å; W887-F909 HydrophobicContact CB-CE1 4.4Å; W887-F909 HydrophobicContact CB-CZ 4.41Å; D888-F909 VanDerWaalsContact OD1-CZ 3.25Å; D888-F909 WeakPolarHBondContact OD1-CZ 3.49Å; I891-F909 HydrophobicContact CD1-CE2 3.87Å; I891-F909 HydrophobicContact CD1-CZ 4.08Å; F905-F909 HydrophobicContact CB-CD1 4.4Å; F905-F909 HydrophobicContact CB-CE1 4.14Å; F905-F909 HydrophobicContact CD2-CD1 4.1Å; F905-F909 HydrophobicContact CD2-CD2 4.44Å; F905-F909 AromaticContact CD2-CE1 3.85Å; F905-F909 HydrophobicContact CD2-CE1 3.85Å; F905-F909 HydrophobicContact CD2-CE2 4.21Å; F905-F909 HydrophobicContact CD2-CG 4.39Å; F905-F909 AromaticContact CD2-CZ 3.91Å; F905-F909 HydrophobicContact CD2-CZ 3.91Å; F905-F909 HydrophobicContact CG-CE1 4.43Å; F905-F909 VanDerWaalsContact O-CD1 3.25Å; F905-F909 WeakPolarHBondContact O-CD1 3.46Å; F905-F909 PolarHBondContact O-N 3.31Å; L906-F909 PolarHBondContact O-N 3.07Å; L906-F909 VanDerWaalsContact O-N 3.12Å; F909-Q911 PolarHBondContact O-N 3.25Å; F909-A912 PolarHBondContact O-N 3.06Å; F909-V913 PolarHBondContact O-N 3.49Å; F909-V924 VanDerWaalsContact CA-CG2 3.48Å; F909-V924 HydrophobicContact CB-CG2 3.63Å; F909-V924 HydrophobicContact CD1-CG2 4.08Å; F909-V924 HydrophobicContact CD2-CG2 3.86Å; F909-V924 HydrophobicContact CG-CG2 3.6Å; F909-V924 WeakPolarHBondContact O-CG2 3.26Å; F909-I928 HydrophobicContact CD2-CG1 4.38Å; F909-F946 HydrophobicContact CB-CE1 4.3Å; F909-F946 HydrophobicContact CB-CZ 3.99Å
910	V	95.9	Very high	95.7	Very high	69 Å²	69	57 Å²	57	42%	0.418	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-32.3	176.8	174	0	0	0	0	111.9	L906 T908 F946	L906-V910 WeakPolarHBondContact O-CG2 3.16Å; L906-V910 PolarHBondContact O-N 2.88Å; T908-V910 VanDerWaalsContact C-N 3.32Å; T908-V910 PolarHBondContact O-N 3.01Å; V910-F946 HydrophobicContact CG2-CE1 4.06Å; V910-F946 HydrophobicContact CG2-CZ 3.8Å
911	Q	95.2	Very high	95.9	Very high	109 Å²	109	53.2 Å²	53.2	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-84.3	-45.4	177.7	-65.8	172.9	30.3	0	0	111.8	P907 T908 F909 V913 H914	P907-Q911 WeakPolarHBondContact O-CG 3.36Å; P907-Q911 PolarHBondContact O-N 3.23Å; T908-Q911 PolarHBondContact O-N 2.84Å; F909-Q911 PolarHBondContact O-N 3.25Å; Q911-V913 VanDerWaalsContact C-N 3.29Å; Q911-V913 PolarHBondContact O-N 3.39Å; Q911-H914 PolarHBondContact O-N 3.48Å; Q911-H914 VanDerWaalsContact O-N 3.11Å
912	A	96.2	Very high	95.9	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-28.1	-171.8	0	0	0	0	0	113.2	I884 T908 F909 H914 H915 V920 V924	I884-A912 HydrophobicContact CD1-CB 3.71Å; T908-A912 VanDerWaalsContact O-CB 3.23Å; T908-A912 WeakPolarHBondContact O-CB 3.41Å; T908-A912 PolarHBondContact O-N 2.88Å; F909-A912 PolarHBondContact O-N 3.06Å; A912-H914 PolarHBondContact O-N 3.36Å; A912-H915 WeakPolarHBondContact O-CB 3.37Å; A912-H915 PolarHBondContact O-N 3.11Å; A912-V920 HydrophobicContact CB-CG1 3.98Å; A912-V924 HydrophobicContact CB-CB 4Å; A912-V924 HydrophobicContact CB-CG1 4.02Å; A912-V924 HydrophobicContact CB-CG2 4.15Å
913	V	96.3	Very high	96	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.4	176.1	73.1	0	0	0	0	112.5	F909 Q911 V924 V925 I928 P949 L953	F909-V913 PolarHBondContact O-N 3.49Å; Q911-V913 VanDerWaalsContact C-N 3.29Å; Q911-V913 PolarHBondContact O-N 3.39Å; V913-V924 HydrophobicContact CB-CG1 4.24Å; V913-V925 HydrophobicContact CG2-CG2 4.39Å; V913-I928 HydrophobicContact CG2-CD1 4.33Å; V913-P949 HydrophobicContact CG1-CB 3.97Å; V913-P949 HydrophobicContact CG1-CG 4.45Å; V913-P949 HydrophobicContact CG2-CB 3.9Å; V913-L953 HydrophobicContact CG2-CD1 3.98Å
914	H	95.7	Very high	96.1	Very high	114 Å²	114	45.8 Å²	45.8	53%	0.528	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	9.9	176.1	-59.6	-65.5	0	0	0	113.4	Q911 A912	Q911-H914 PolarHBondContact O-N 3.48Å; Q911-H914 VanDerWaalsContact O-N 3.11Å; A912-H914 PolarHBondContact O-N 3.36Å
915	H	95.7	Very high	96.2	Very high	57 Å²	57	41.7 Å²	41.7	26%	0.264	21%	0.211	S	C	.	.			trans	-65.4	153	-176.2	-165.4	-99.4	0	0	0	111.9	A912 Q917 V920 R921	A912-H915 WeakPolarHBondContact O-CB 3.37Å; A912-H915 PolarHBondContact O-N 3.11Å; H915-Q917 WeakPolarHBondContact ND1-CB 3.41Å; H915-Q917 PolarHBondContact ND1-N 2.86Å; H915-V920 HydrophobicContact CB-CB 4.14Å; H915-V920 HydrophobicContact CB-CG1 3.71Å; H915-R921 HydrophobicContact CB-CG 4.23Å; H915-R921 WeakPolarHBondContact O-CD 3.02Å; H915-R921 VanDerWaalsContact O-CG 3.27Å; H915-R921 WeakPolarHBondContact O-CG 3.49Å; H915-R921 PolarHBondContact O-NH1 2.91Å
916	Q	94.6	Very high	96.3	Very high	177 Å²	177	43.8 Å²	43.8	83%	0.827	22%	0.219	S	C	*	.	S	Bend	trans	-74.4	-35.1	-179	-67.9	-175.1	-9.3	0	0	112.7	R921	Q916-R921 VanDerWaalsContact C-NH1 3.26Å; Q916-R921 PolarHBondContact O-NH1 2.89Å
917	Q	95.1	Very high	96.4	Very high	74 Å²	74	43 Å²	43	35%	0.346	22%	0.215	S	C	.	.	S	Bend	trans	-74.1	125.1	177.2	-66.9	-65.2	-0.8	0	0	111.9	W877 H915 D919 V920 R921	W877-Q917 HydrophobicContact CB-CG 3.91Å; W877-Q917 HydrophobicContact CD2-CB 4.43Å; W877-Q917 HydrophobicContact CD2-CG 3.91Å; W877-Q917 HydrophobicContact CE3-CB 4.31Å; W877-Q917 HydrophobicContact CE3-CG 4.29Å; W877-Q917 HydrophobicContact CG-CG 3.72Å; H915-Q917 WeakPolarHBondContact ND1-CB 3.41Å; H915-Q917 PolarHBondContact ND1-N 2.86Å; Q917-D919 VanDerWaalsContact C-N 3.32Å; Q917-D919 PolarHBondContact O-N 2.8Å; Q917-V920 HydrophobicContact CB-CB 4.39Å; Q917-V920 HydrophobicContact CB-CG2 4.07Å; Q917-V920 PolarHBondContact O-N 2.83Å; Q917-R921 PolarHBondContact O-N 2.7Å
918	P	95.5	Very high	96.6	Very high	15 Å²	15	39.8 Å²	39.8	10%	0.097	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-39.4	177.6	-22.9	33	0	0	0	113.7	V920 R921 Q922 E963 N964	P918-V920 PolarHBondContact O-N 3.1Å; P918-R921 CarbonylContact O-C 3.56Å; P918-R921 WeakPolarHBondContact O-CB 3.23Å; P918-R921 PolarHBondContact O-N 3.33Å; P918-R921 VanDerWaalsContact O-N 3.13Å; P918-Q922 WeakPolarHBondContact O-CB 2.98Å; P918-Q922 PolarHBondContact O-N 2.8Å; P918-E963 WeakPolarHBondContact CB-O 3.39Å; P918-N964 WeakPolarHBondContact CG-OD1 3.18Å
919	D	95.3	Very high	96.6	Very high	62 Å²	62	38.8 Å²	38.8	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-64.9	-41.7	-177.3	-54.7	-70	0	0	0	112.5	W877 Q881 Q917 R921 Q922 A923	W877-D919 HydrophobicContact CZ3-CB 3.82Å; Q881-D919 HydrophobicContact CG-CB 4.38Å; Q917-D919 VanDerWaalsContact C-N 3.32Å; Q917-D919 PolarHBondContact O-N 2.8Å; D919-R921 VanDerWaalsContact C-N 3.31Å; D919-R921 PolarHBondContact O-N 3.02Å; D919-Q922 PolarHBondContact O-N 2.89Å; D919-A923 PolarHBondContact O-N 3.37Å
920	V	97.3	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-41.5	173.4	175.9	0	0	0	0	110.8	W877 L880 Q881 I884 A912 H915 Q917 P918 V924	W877-V920 HydrophobicContact CB-CG2 4.18Å; W877-V920 HydrophobicContact CE3-CG2 4.11Å; W877-V920 VanDerWaalsContact O-CG2 3.26Å; W877-V920 WeakPolarHBondContact O-CG2 3.33Å; L880-V920 HydrophobicContact CD2-CG1 3.75Å; L880-V920 HydrophobicContact CD2-CG2 4.47Å; L880-V920 HydrophobicContact CG-CG1 3.99Å; Q881-V920 HydrophobicContact CB-CG2 4.2Å; I884-V920 HydrophobicContact CD1-CG1 4.03Å; A912-V920 HydrophobicContact CB-CG1 3.98Å; H915-V920 HydrophobicContact CB-CB 4.14Å; H915-V920 HydrophobicContact CB-CG1 3.71Å; Q917-V920 HydrophobicContact CB-CB 4.39Å; Q917-V920 HydrophobicContact CB-CG2 4.07Å; Q917-V920 PolarHBondContact O-N 2.83Å; P918-V920 PolarHBondContact O-N 3.1Å; V920-V924 WeakPolarHBondContact O-CG1 3.16Å; V920-V924 PolarHBondContact O-N 2.96Å
921	R	97.7	Very high	96.7	Very high	29 Å²	29	35.5 Å²	35.5	11%	0.109	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-40.5	175.8	-67.1	-163.8	-59.3	-85.6	-1.2	111.2	H915 Q916 Q917 P918 D919 V924 V925 N964 C967	H915-R921 HydrophobicContact CB-CG 4.23Å; H915-R921 WeakPolarHBondContact O-CD 3.02Å; H915-R921 VanDerWaalsContact O-CG 3.27Å; H915-R921 WeakPolarHBondContact O-CG 3.49Å; H915-R921 PolarHBondContact O-NH1 2.91Å; Q916-R921 VanDerWaalsContact C-NH1 3.26Å; Q916-R921 PolarHBondContact O-NH1 2.89Å; Q917-R921 PolarHBondContact O-N 2.7Å; P918-R921 CarbonylContact O-C 3.56Å; P918-R921 WeakPolarHBondContact O-CB 3.23Å; P918-R921 PolarHBondContact O-N 3.33Å; P918-R921 VanDerWaalsContact O-N 3.13Å; D919-R921 VanDerWaalsContact C-N 3.31Å; D919-R921 PolarHBondContact O-N 3.02Å; R921-V924 WeakPolarHBondContact O-CG1 3.13Å; R921-V925 WeakPolarHBondContact O-CB 3.45Å; R921-V925 WeakPolarHBondContact O-CG2 3.22Å; R921-V925 PolarHBondContact O-N 3.34Å; R921-N964 PolarHBondContact NH2-OD1 3.45Å; R921-C967 WeakPolarHBondContact CB-SG 3.27Å
922	Q	97.2	Very high	96.8	Very high	45 Å²	45	30.3 Å²	30.3	21%	0.21	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-48.5	178.1	-179.1	174	-21.7	0	0	111	P918 D919 V925 Y926 C967 N970	P918-Q922 WeakPolarHBondContact O-CB 2.98Å; P918-Q922 PolarHBondContact O-N 2.8Å; D919-Q922 PolarHBondContact O-N 2.89Å; Q922-V925 PolarHBondContact O-N 3.22Å; Q922-Y926 PolarHBondContact O-N 3.18Å; Q922-C967 HydrophobicContact CB-CB 4Å; Q922-N970 HydrophobicContact CG-CB 4.31Å
923	A	97.2	Very high	96.8	Very high	8 Å²	8	31.7 Å²	31.7	7%	0.066	15%	0.151	C	C	.	.	H	α-helix	trans	-55.6	-55.2	177.9	0	0	0	0	0	111.4	Q881 I884 D919 V925 Y926 G927	Q881-A923 HydrophobicContact CG-CB 4.3Å; I884-A923 HydrophobicContact CB-CB 4.12Å; I884-A923 HydrophobicContact CG2-CB 3.74Å; D919-A923 PolarHBondContact O-N 3.37Å; A923-V925 VanDerWaalsContact C-N 3.29Å; A923-V925 PolarHBondContact O-N 3.5Å; A923-Y926 WeakPolarHBondContact O-CB 3.3Å; A923-Y926 PolarHBondContact O-N 3.19Å; A923-Y926 VanDerWaalsContact O-N 3.14Å; A923-G927 PolarHBondContact O-N 3.29Å
924	V	98	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-35.1	-178.8	66.2	0	0	0	0	113.1	I884 F909 A912 V913 V920 R921 Y926 G927 I928	I884-V924 HydrophobicContact CD1-CB 4.38Å; I884-V924 HydrophobicContact CG2-CB 4.24Å; F909-V924 VanDerWaalsContact CA-CG2 3.48Å; F909-V924 HydrophobicContact CB-CG2 3.63Å; F909-V924 HydrophobicContact CD1-CG2 4.08Å; F909-V924 HydrophobicContact CD2-CG2 3.86Å; F909-V924 HydrophobicContact CG-CG2 3.6Å; F909-V924 WeakPolarHBondContact O-CG2 3.26Å; A912-V924 HydrophobicContact CB-CB 4Å; A912-V924 HydrophobicContact CB-CG1 4.02Å; A912-V924 HydrophobicContact CB-CG2 4.15Å; V913-V924 HydrophobicContact CB-CG1 4.24Å; V920-V924 WeakPolarHBondContact O-CG1 3.16Å; V920-V924 PolarHBondContact O-N 2.96Å; R921-V924 WeakPolarHBondContact O-CG1 3.13Å; V924-Y926 VanDerWaalsContact C-N 3.34Å; V924-G927 PolarHBondContact O-N 3.47Å; V924-I928 HydrophobicContact CG2-CD1 4.11Å; V924-I928 WeakPolarHBondContact O-CD1 3.26Å; V924-I928 VanDerWaalsContact O-CG1 3.26Å; V924-I928 WeakPolarHBondContact O-CG1 3.43Å; V924-I928 PolarHBondContact O-N 2.91Å
925	V	98.2	Very high	96.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-40.6	178	166.4	0	0	0	0	110.7	V913 R921 Q922 A923 I928 G929 L950 L953 N970 A971 A974	V913-V925 HydrophobicContact CG2-CG2 4.39Å; R921-V925 WeakPolarHBondContact O-CB 3.45Å; R921-V925 WeakPolarHBondContact O-CG2 3.22Å; R921-V925 PolarHBondContact O-N 3.34Å; Q922-V925 PolarHBondContact O-N 3.22Å; A923-V925 VanDerWaalsContact C-N 3.29Å; A923-V925 PolarHBondContact O-N 3.5Å; V925-I928 PolarHBondContact O-N 3.34Å; V925-G929 PolarHBondContact O-N 2.63Å; V925-L950 HydrophobicContact CB-CD2 4.3Å; V925-L950 HydrophobicContact CG1-CD2 3.84Å; V925-L950 HydrophobicContact CG2-CD2 3.72Å; V925-L953 HydrophobicContact CG2-CD1 3.86Å; V925-N970 HydrophobicContact CG1-CB 3.95Å; V925-N970 WeakPolarHBondContact CG1-O 3.44Å; V925-A971 HydrophobicContact CG1-CB 3.82Å; V925-A971 VanDerWaalsContact CG1-N 3.27Å; V925-A974 HydrophobicContact CG1-CB 3.95Å; V925-A974 WeakPolarHBondContact O-CB 3.33Å
926	Y	97.7	Very high	96.6	Very high	45 Å²	45	26.9 Å²	26.9	18%	0.176	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-52	170.7	-179	-95.7	0	0	0	110.6	D888 E892 Q922 A923 V924 I928 G929 V930 E1012	D888-Y926 HydrophobicContact CB-CD1 3.91Å; D888-Y926 HydrophobicContact CB-CE1 4.19Å; E892-Y926 PolarHBondContact OE2-OH 3.18Å; Q922-Y926 PolarHBondContact O-N 3.18Å; A923-Y926 WeakPolarHBondContact O-CB 3.3Å; A923-Y926 PolarHBondContact O-N 3.19Å; A923-Y926 VanDerWaalsContact O-N 3.14Å; V924-Y926 VanDerWaalsContact C-N 3.34Å; Y926-I928 VanDerWaalsContact C-N 3.34Å; Y926-I928 PolarHBondContact O-N 2.93Å; Y926-G929 CarbonylContact O-C 3.23Å; Y926-G929 WeakPolarHBondContact O-CA 3.24Å; Y926-G929 PolarHBondContact O-N 2.98Å; Y926-V930 HydrophobicContact CD1-CG1 4.17Å; Y926-V930 HydrophobicContact CD1-CG2 4.5Å; Y926-V930 HydrophobicContact CE1-CG1 3.62Å; Y926-V930 HydrophobicContact CE1-CG2 4.39Å; Y926-V930 HydrophobicContact CE2-CG1 4.18Å; Y926-V930 PolarHBondContact O-N 3.24Å; Y926-E1012 WeakPolarHBondContact CD2-OE1 3.36Å; Y926-E1012 VanDerWaalsContact CE2-OE1 3.3Å; Y926-E1012 WeakPolarHBondContact CE2-OE1 3.09Å
927	G	97.4	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-49	-47	173.9	0	0	0	0	0	115	D888 A923 V924 G929 V930 A931	D888-G927 VanDerWaalsContact CG-CA 3.49Å; D888-G927 WeakPolarHBondContact OD1-CA 3.4Å; A923-G927 PolarHBondContact O-N 3.29Å; V924-G927 PolarHBondContact O-N 3.47Å; G927-G929 VanDerWaalsContact C-N 3.35Å; G927-V930 WeakPolarHBondContact O-CG2 3.42Å; G927-V930 PolarHBondContact O-N 2.82Å; G927-A931 WeakPolarHBondContact O-CB 3.48Å; G927-A931 PolarHBondContact O-N 3.32Å
928	I	98.3	Very high	96.6	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-42.2	176.3	-66.5	158	0	0	0	110.8	F909 V913 V924 V925 Y926 A931 A932 L943 F946 L950 I978	F909-I928 HydrophobicContact CD2-CG1 4.38Å; V913-I928 HydrophobicContact CG2-CD1 4.33Å; V924-I928 HydrophobicContact CG2-CD1 4.11Å; V924-I928 WeakPolarHBondContact O-CD1 3.26Å; V924-I928 VanDerWaalsContact O-CG1 3.26Å; V924-I928 WeakPolarHBondContact O-CG1 3.43Å; V924-I928 PolarHBondContact O-N 2.91Å; V925-I928 PolarHBondContact O-N 3.34Å; Y926-I928 VanDerWaalsContact C-N 3.34Å; Y926-I928 PolarHBondContact O-N 2.93Å; I928-A931 PolarHBondContact O-N 2.92Å; I928-A932 PolarHBondContact O-N 2.9Å; I928-A932 VanDerWaalsContact O-N 3.13Å; I928-L943 HydrophobicContact CG2-CD2 4.17Å; I928-F946 HydrophobicContact CD1-CB 4.06Å; I928-F946 HydrophobicContact CD1-CD1 3.35Å; I928-F946 HydrophobicContact CD1-CD2 4.33Å; I928-F946 HydrophobicContact CD1-CE1 3.77Å; I928-F946 HydrophobicContact CD1-CG 3.67Å; I928-F946 HydrophobicContact CD1-CZ 4.41Å; I928-F946 HydrophobicContact CG1-CB 4.45Å; I928-F946 HydrophobicContact CG1-CD1 3.97Å; I928-F946 HydrophobicContact CG1-CD2 4.08Å; I928-F946 HydrophobicContact CG1-CE1 4.17Å; I928-F946 HydrophobicContact CG1-CE2 4.28Å; I928-F946 HydrophobicContact CG1-CG 3.92Å; I928-F946 HydrophobicContact CG1-CZ 4.32Å; I928-F946 HydrophobicContact CG2-CB 3.89Å; I928-F946 HydrophobicContact CG2-CD2 4.23Å; I928-F946 HydrophobicContact CG2-CG 4.12Å; I928-L950 HydrophobicContact CG2-CD1 4.05Å; I928-I978 HydrophobicContact CG2-CD1 4.28Å
929	G	97.7	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-48	176.7	0	0	0	0	0	112.6	V925 Y926 G927 A932 M933 K977	V925-G929 PolarHBondContact O-N 2.63Å; Y926-G929 CarbonylContact O-C 3.23Å; Y926-G929 WeakPolarHBondContact O-CA 3.24Å; Y926-G929 PolarHBondContact O-N 2.98Å; G927-G929 VanDerWaalsContact C-N 3.35Å; G929-A932 PolarHBondContact O-N 3.21Å; G929-M933 PolarHBondContact O-N 3.15Å; G929-M933 VanDerWaalsContact O-N 3.1Å; G929-K977 WeakPolarHBondContact O-CD 3.48Å
930	V	96.7	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69.1	-32.3	178	-62.9	0	0	0	0	112.2	I891 E892 Y926 G927 A932 M933 K934 G935	I891-V930 HydrophobicContact CB-CG2 4.13Å; I891-V930 HydrophobicContact CG2-CG2 3.89Å; E892-V930 HydrophobicContact CB-CB 4.43Å; Y926-V930 HydrophobicContact CD1-CG1 4.17Å; Y926-V930 HydrophobicContact CD1-CG2 4.5Å; Y926-V930 HydrophobicContact CE1-CG1 3.62Å; Y926-V930 HydrophobicContact CE1-CG2 4.39Å; Y926-V930 HydrophobicContact CE2-CG1 4.18Å; Y926-V930 PolarHBondContact O-N 3.24Å; G927-V930 WeakPolarHBondContact O-CG2 3.42Å; G927-V930 PolarHBondContact O-N 2.82Å; V930-A932 VanDerWaalsContact C-N 3.34Å; V930-A932 PolarHBondContact O-N 2.79Å; V930-M933 HydrophobicContact CG1-CE 4.42Å; V930-M933 PolarHBondContact O-N 2.94Å; V930-K934 PolarHBondContact O-N 3.25Å; V930-G935 PolarHBondContact O-N 3.4Å
931	A	97.7	Very high	96.5	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-42.2	172.1	0	0	0	0	0	112.1	I891 G927 I928 G935 Y939 L943	I891-A931 VanDerWaalsContact CG2-CA 3.47Å; I891-A931 HydrophobicContact CG2-CB 3.89Å; G927-A931 WeakPolarHBondContact O-CB 3.48Å; G927-A931 PolarHBondContact O-N 3.32Å; I928-A931 PolarHBondContact O-N 2.92Å; A931-G935 VanDerWaalsContact O-CA 3.29Å; A931-G935 WeakPolarHBondContact O-CA 3.15Å; A931-G935 PolarHBondContact O-N 3.09Å; A931-Y939 HydrophobicContact CB-CD1 3.72Å; A931-Y939 HydrophobicContact CB-CE1 3.97Å; A931-Y939 HydrophobicContact CB-CG 4.1Å; A931-L943 HydrophobicContact CB-CD2 4.4Å
932	A	97.4	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-40.9	175	0	0	0	0	0	112.4	I928 G929 V930 L943 K977 I978 Y981	I928-A932 PolarHBondContact O-N 2.9Å; I928-A932 VanDerWaalsContact O-N 3.13Å; G929-A932 PolarHBondContact O-N 3.21Å; V930-A932 VanDerWaalsContact C-N 3.34Å; V930-A932 PolarHBondContact O-N 2.79Å; A932-L943 HydrophobicContact CB-CD1 4.06Å; A932-L943 HydrophobicContact CB-CD2 4.07Å; A932-K977 HydrophobicContact CB-CB 4.42Å; A932-I978 HydrophobicContact CB-CB 4.41Å; A932-I978 HydrophobicContact CB-CG1 3.61Å; A932-Y981 WeakPolarHBondContact O-CB 3.43Å
933	M	96.5	Very high	96.3	Very high	31 Å²	31	25.6 Å²	25.6	15%	0.153	13%	0.13	C	C	.	.	H	α-helix	trans	-75	-50	-176.6	-177.2	171.5	60.3	0	0	113	G929 V930 Y981	G929-M933 PolarHBondContact O-N 3.15Å; G929-M933 VanDerWaalsContact O-N 3.1Å; V930-M933 HydrophobicContact CG1-CE 4.42Å; V930-M933 PolarHBondContact O-N 2.94Å; M933-Y981 HydrophobicContact CB-CD2 3.91Å; M933-Y981 HydrophobicContact CB-CE2 4.06Å; M933-Y981 HydrophobicContact CB-CG 4.5Å; M933-Y981 HydrophobicContact CG-CD2 3.91Å; M933-Y981 HydrophobicContact CG-CE1 4.37Å; M933-Y981 HydrophobicContact CG-CE2 3.6Å; M933-Y981 HydrophobicContact CG-CG 4.45Å; M933-Y981 HydrophobicContact SD-CE2 4.01Å
934	K	95.8	Very high	96.1	Very high	67 Å²	67	27.1 Å²	27.1	29%	0.291	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-25	-168.2	-62.3	-173.4	177	169.3	0	113.9	E892 G895 V930 G936	E892-K934 HydrophobicContact CG-CD 4.1Å; E892-K934 VanDerWaalsContact CG-NZ 3.34Å; E892-K934 WeakPolarHBondContact O-CD 3.36Å; E892-K934 IonicContact OE1-NZ 2.72Å; E892-K934 PolarHBondContact OE1-NZ 3.22Å; G895-K934 CarbonylContact C-O 3.6Å; G895-K934 WeakPolarHBondContact CA-O 3.31Å; V930-K934 PolarHBondContact O-N 3.25Å; K934-G936 VanDerWaalsContact C-N 3.28Å; K934-G936 PolarHBondContact O-N 3.2Å; K934-G936 VanDerWaalsContact O-N 3.14Å
935	G	94.2	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-65.6	-17.4	-170.2	0	0	0	0	0	116.8	T896 V930 A931 Y939	T896-G935 VanDerWaalsContact CA-O 3.25Å; T896-G935 WeakPolarHBondContact CA-O 3.31Å; T896-G935 PolarHBondContact N-O 2.96Å; V930-G935 PolarHBondContact O-N 3.4Å; A931-G935 VanDerWaalsContact O-CA 3.29Å; A931-G935 WeakPolarHBondContact O-CA 3.15Å; A931-G935 PolarHBondContact O-N 3.09Å; G935-Y939 VanDerWaalsContact C-CD2 3.47Å; G935-Y939 WeakPolarHBondContact O-CD2 3.15Å; G935-Y939 WeakPolarHBondContact O-CE2 3.5Å
936	G	92.8	Very high	95.9	Very high	5 Å²	5	32.2 Å²	32.2	5%	0.052	17%	0.167	C	C	.	.			trans	91.3	-178.3	179.6	0	0	0	0	0	115.3	K934 E938 R982	K934-G936 VanDerWaalsContact C-N 3.28Å; K934-G936 PolarHBondContact O-N 3.2Å; K934-G936 VanDerWaalsContact O-N 3.14Å; G936-E938 VanDerWaalsContact C-N 3.3Å; G936-E938 PolarHBondContact O-N 3.09Å; G936-R982 PolarHBondContact O-NE 2.95Å; G936-R982 PolarHBondContact O-NH2 3.28Å
937	P	94.7	Very high	95.8	Very high	86 Å²	86	30.1 Å²	30.1	56%	0.558	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-69	-21.1	-177.1	-21.2	33.9	0	0	0	114.9	Y939 N940	P937-Y939 VanDerWaalsContact C-N 3.26Å; P937-Y939 PolarHBondContact O-N 2.83Å; P937-N940 WeakPolarHBondContact O-CB 3.42Å; P937-N940 PolarHBondContact O-N 2.95Å; P937-N940 PolarHBondContact O-OD1 3.11Å
938	E	95.3	Very high	95.7	Very high	73 Å²	73	31.7 Å²	31.7	34%	0.341	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-61.8	-37.1	-178	-67.7	77.7	-177.6	0	0	111.6	W899 G936 N940 Q941	W899-E938 HydrophobicContact CB-CB 4.14Å; W899-E938 HydrophobicContact CB-CG 4.49Å; W899-E938 HydrophobicContact CD2-CB 3.52Å; W899-E938 HydrophobicContact CD2-CG 4.46Å; W899-E938 HydrophobicContact CE3-CB 3.97Å; W899-E938 HydrophobicContact CG-CB 3.56Å; W899-E938 HydrophobicContact CG-CG 4.05Å; W899-E938 WeakPolarHBondContact CH2-O 3.34Å; G936-E938 VanDerWaalsContact C-N 3.3Å; G936-E938 PolarHBondContact O-N 3.09Å; E938-N940 PolarHBondContact O-N 2.91Å; E938-Q941 WeakPolarHBondContact O-CG 3.29Å; E938-Q941 PolarHBondContact O-N 3.11Å; E938-Q941 PolarHBondContact O-NE2 3.23Å
939	Y	96.7	Very high	95.6	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.012	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-65.9	-15.1	175.7	-75.9	-87.8	0	0	0	113.9	S898 W899 F905 L906 A931 G935 P937 Q941 I942 L943	S898-Y939 WeakPolarHBondContact CB-OH 3.33Å; S898-Y939 WeakPolarHBondContact OG-CE2 3.16Å; S898-Y939 PolarHBondContact OG-OH 2.75Å; W899-Y939 HydrophobicContact CB-CE2 4.3Å; W899-Y939 AromaticContact CE3-CD1 3.81Å; W899-Y939 HydrophobicContact CE3-CD1 3.81Å; W899-Y939 AromaticContact CE3-CD2 3.78Å; W899-Y939 HydrophobicContact CE3-CD2 3.78Å; W899-Y939 AromaticContact CE3-CE1 3.82Å; W899-Y939 HydrophobicContact CE3-CE1 3.82Å; W899-Y939 AromaticContact CE3-CE2 3.82Å; W899-Y939 HydrophobicContact CE3-CE2 3.82Å; W899-Y939 AromaticContact CE3-CG 3.8Å; W899-Y939 HydrophobicContact CE3-CG 3.8Å; W899-Y939 AromaticContact CE3-CZ 3.83Å; W899-Y939 AromaticContact CZ3-CD1 3.68Å; W899-Y939 HydrophobicContact CZ3-CD1 3.68Å; W899-Y939 HydrophobicContact CZ3-CD2 4.33Å; W899-Y939 HydrophobicContact CZ3-CE1 4Å; W899-Y939 AromaticContact CZ3-CG 3.87Å; W899-Y939 HydrophobicContact CZ3-CG 3.87Å; F905-Y939 HydrophobicContact CE2-CE1 4.44Å; F905-Y939 HydrophobicContact CZ-CE1 4.44Å; F905-Y939 WeakPolarHBondContact CZ-OH 3.47Å; L906-Y939 HydrophobicContact CD2-CE1 4.4Å; A931-Y939 HydrophobicContact CB-CD1 3.72Å; A931-Y939 HydrophobicContact CB-CE1 3.97Å; A931-Y939 HydrophobicContact CB-CG 4.1Å; G935-Y939 VanDerWaalsContact C-CD2 3.47Å; G935-Y939 WeakPolarHBondContact O-CD2 3.15Å; G935-Y939 WeakPolarHBondContact O-CE2 3.5Å; P937-Y939 VanDerWaalsContact C-N 3.26Å; P937-Y939 PolarHBondContact O-N 2.83Å; Y939-Q941 PolarHBondContact O-N 3.18Å; Y939-I942 HydrophobicContact CD1-CG2 4.45Å; Y939-I942 WeakPolarHBondContact O-CG2 3.43Å; Y939-I942 PolarHBondContact O-N 3.28Å; Y939-L943 WeakPolarHBondContact O-CG 3.43Å; Y939-L943 PolarHBondContact O-N 2.92Å
940	N	94.8	Very high	95.6	Very high	42 Å²	42	32.5 Å²	32.5	23%	0.225	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-20.4	175.7	-65.1	11.5	0	0	0	112.3	P937 E938 I942 R982 E984 C985	P937-N940 WeakPolarHBondContact O-CB 3.42Å; P937-N940 PolarHBondContact O-N 2.95Å; P937-N940 PolarHBondContact O-OD1 3.11Å; E938-N940 PolarHBondContact O-N 2.91Å; N940-I942 PolarHBondContact O-N 3.21Å; N940-R982 WeakPolarHBondContact OD1-CD 3.45Å; N940-R982 PolarHBondContact OD1-NE 3.29Å; N940-E984 PolarHBondContact ND2-OE1 3.22Å; N940-C985 VanDerWaalsContact CA-SG 3.55Å; N940-C985 VanDerWaalsContact CB-SG 3.54Å
941	Q	93.6	Very high	95.6	Very high	137 Å²	137	33 Å²	33	64%	0.64	18%	0.183	S	C	*	.	H	α-helix	trans	-65	-23	175.2	-69.7	173.5	81.3	0	0	114.1	W899 E938 Y939	W899-Q941 HydrophobicContact CH2-CB 4.31Å; W899-Q941 VanDerWaalsContact CZ2-NE2 3.34Å; E938-Q941 WeakPolarHBondContact O-CG 3.29Å; E938-Q941 PolarHBondContact O-N 3.11Å; E938-Q941 PolarHBondContact O-NE2 3.23Å; Y939-Q941 PolarHBondContact O-N 3.18Å
942	I	94.6	Very high	95.5	Very high	33 Å²	33	39 Å²	39	17%	0.169	21%	0.21	C	C	.	.	H	α-helix	trans	-127.4	-23.7	-173.7	-161.4	68.8	0	0	0	113.2	L906 Y939 N940 S944 D945 F946	L906-I942 HydrophobicContact CD1-CG2 4.21Å; L906-I942 HydrophobicContact CD2-CG2 4.33Å; Y939-I942 HydrophobicContact CD1-CG2 4.45Å; Y939-I942 WeakPolarHBondContact O-CG2 3.43Å; Y939-I942 PolarHBondContact O-N 3.28Å; N940-I942 PolarHBondContact O-N 3.21Å; I942-S944 PolarHBondContact O-N 2.89Å; I942-S944 VanDerWaalsContact O-N 3.13Å; I942-D945 HydrophobicContact CD1-CB 4.44Å; I942-D945 WeakPolarHBondContact O-CB 3.46Å; I942-D945 PolarHBondContact O-N 3.38Å; I942-F946 HydrophobicContact CB-CE2 4.39Å; I942-F946 HydrophobicContact CG1-CD2 4.38Å; I942-F946 HydrophobicContact CG1-CE2 3.64Å; I942-F946 HydrophobicContact CG1-CZ 4.25Å; I942-F946 HydrophobicContact CG2-CE2 4.06Å; I942-F946 WeakPolarHBondContact O-CD2 3.36Å
943	L	96	Very high	95.5	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-33.5	-177	-77.8	170.6	0	0	0	113.5	I928 A931 A932 Y939 D945 F946 V947 I978 R982 C985	I928-L943 HydrophobicContact CG2-CD2 4.17Å; A931-L943 HydrophobicContact CB-CD2 4.4Å; A932-L943 HydrophobicContact CB-CD1 4.06Å; A932-L943 HydrophobicContact CB-CD2 4.07Å; Y939-L943 WeakPolarHBondContact O-CG 3.43Å; Y939-L943 PolarHBondContact O-N 2.92Å; L943-D945 PolarHBondContact O-N 3.02Å; L943-F946 PolarHBondContact O-N 3.28Å; L943-V947 WeakPolarHBondContact O-CG2 3.43Å; L943-I978 HydrophobicContact CD2-CD1 4.48Å; L943-I978 HydrophobicContact CD2-CG1 4.43Å; L943-R982 HydrophobicContact CD1-CB 4.3Å; L943-R982 HydrophobicContact CD1-CG 3.98Å; L943-C985 HydrophobicContact CB-CB 3.95Å
944	S	93.8	Very high	95.5	Very high	40 Å²	40	39.2 Å²	39.2	28%	0.28	21%	0.212	S	C	.	.	H	α-helix	trans	-59.9	-31.2	176.6	55.7	0	0	0	0	113.3	I942 F946 C985 P987	I942-S944 PolarHBondContact O-N 2.89Å; I942-S944 VanDerWaalsContact O-N 3.13Å; S944-F946 VanDerWaalsContact C-N 3.33Å; S944-C985 VanDerWaalsContact CA-O 3.25Å; S944-C985 WeakPolarHBondContact CA-O 3.22Å; S944-C985 VanDerWaalsContact CB-O 3.29Å; S944-C985 WeakPolarHBondContact CB-O 3.37Å; S944-P987 WeakPolarHBondContact O-CG 3.32Å
945	D	94.5	Very high	95.5	Very high	99 Å²	99	40.3 Å²	40.3	53%	0.529	22%	0.218	S	C	.	.	H	α-helix	trans	-77.9	-25.5	-172.3	-61.6	-3	0	0	0	110.9	I942 L943 P949	I942-D945 HydrophobicContact CD1-CB 4.44Å; I942-D945 WeakPolarHBondContact O-CB 3.46Å; I942-D945 PolarHBondContact O-N 3.38Å; L943-D945 PolarHBondContact O-N 3.02Å; D945-P949 WeakPolarHBondContact O-CD 3.48Å
946	F	96.9	Very high	95.6	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.035	23%	0.229	C	C	.	.	H	α-helix	trans	-82.2	-22.5	178	-66.7	-67.8	0	0	0	114	F909 V910 I928 I942 L943 S944 G948 P949 L950	F909-F946 HydrophobicContact CB-CE1 4.3Å; F909-F946 HydrophobicContact CB-CZ 3.99Å; V910-F946 HydrophobicContact CG2-CE1 4.06Å; V910-F946 HydrophobicContact CG2-CZ 3.8Å; I928-F946 HydrophobicContact CD1-CB 4.06Å; I928-F946 HydrophobicContact CD1-CD1 3.35Å; I928-F946 HydrophobicContact CD1-CD2 4.33Å; I928-F946 HydrophobicContact CD1-CE1 3.77Å; I928-F946 HydrophobicContact CD1-CG 3.67Å; I928-F946 HydrophobicContact CD1-CZ 4.41Å; I928-F946 HydrophobicContact CG1-CB 4.45Å; I928-F946 HydrophobicContact CG1-CD1 3.97Å; I928-F946 HydrophobicContact CG1-CD2 4.08Å; I928-F946 HydrophobicContact CG1-CE1 4.17Å; I928-F946 HydrophobicContact CG1-CE2 4.28Å; I928-F946 HydrophobicContact CG1-CG 3.92Å; I928-F946 HydrophobicContact CG1-CZ 4.32Å; I928-F946 HydrophobicContact CG2-CB 3.89Å; I928-F946 HydrophobicContact CG2-CD2 4.23Å; I928-F946 HydrophobicContact CG2-CG 4.12Å; I942-F946 HydrophobicContact CB-CE2 4.39Å; I942-F946 HydrophobicContact CG1-CD2 4.38Å; I942-F946 HydrophobicContact CG1-CE2 3.64Å; I942-F946 HydrophobicContact CG1-CZ 4.25Å; I942-F946 HydrophobicContact CG2-CE2 4.06Å; I942-F946 WeakPolarHBondContact O-CD2 3.36Å; L943-F946 PolarHBondContact O-N 3.28Å; S944-F946 VanDerWaalsContact C-N 3.33Å; F946-G948 VanDerWaalsContact C-N 3.29Å; F946-G948 PolarHBondContact O-N 3.02Å; F946-P949 VanDerWaalsContact O-CD 3.28Å; F946-P949 WeakPolarHBondContact O-CD 3.47Å; F946-L950 HydrophobicContact CB-CD1 4.45Å; F946-L950 WeakPolarHBondContact O-CB 3.44Å; F946-L950 VanDerWaalsContact O-CG 3.26Å; F946-L950 WeakPolarHBondContact O-CG 3.23Å; F946-L950 PolarHBondContact O-N 2.98Å
947	V	96.2	Very high	95.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-39	-175.5	-174.6	0	0	0	0	112	L943 I951 I978 L986 P987 L990	L943-V947 WeakPolarHBondContact O-CG2 3.43Å; V947-I951 HydrophobicContact CG1-CD1 4.01Å; V947-I951 VanDerWaalsContact O-CG1 3.32Å; V947-I951 WeakPolarHBondContact O-CG1 3.41Å; V947-I951 PolarHBondContact O-N 3.13Å; V947-I951 VanDerWaalsContact O-N 3.1Å; V947-I978 HydrophobicContact CG2-CD1 4.04Å; V947-I978 HydrophobicContact CG2-CG2 4.3Å; V947-L986 HydrophobicContact CG1-CD2 4.44Å; V947-P987 HydrophobicContact CB-CG 4.02Å; V947-P987 HydrophobicContact CG1-CG 4.46Å; V947-P987 HydrophobicContact CG2-CG 4.43Å; V947-L990 HydrophobicContact CG1-CD1 3.55Å
948	G	95.1	Very high	95.8	Very high	32 Å²	32	48.3 Å²	48.3	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-58	175.9	0	0	0	0	0	112.6	F946 L950 I951 Q952	F946-G948 VanDerWaalsContact C-N 3.29Å; F946-G948 PolarHBondContact O-N 3.02Å; G948-L950 VanDerWaalsContact C-N 3.34Å; G948-L950 PolarHBondContact O-N 2.71Å; G948-I951 PolarHBondContact O-N 2.85Å; G948-Q952 WeakPolarHBondContact O-CG 3.36Å; G948-Q952 PolarHBondContact O-N 2.92Å; G948-Q952 VanDerWaalsContact O-N 3.07Å
949	P	96.6	Very high	95.7	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-51.6	-45	172.8	-30.6	35.6	0	0	0	114.5	V913 D945 F946 I951 Q952 L953	V913-P949 HydrophobicContact CG1-CB 3.97Å; V913-P949 HydrophobicContact CG1-CG 4.45Å; V913-P949 HydrophobicContact CG2-CB 3.9Å; D945-P949 WeakPolarHBondContact O-CD 3.48Å; F946-P949 VanDerWaalsContact O-CD 3.28Å; F946-P949 WeakPolarHBondContact O-CD 3.47Å; P949-I951 PolarHBondContact O-N 3.35Å; P949-Q952 WeakPolarHBondContact O-CB 3.42Å; P949-Q952 PolarHBondContact O-N 2.99Å; P949-Q952 VanDerWaalsContact O-N 3.1Å; P949-L953 PolarHBondContact O-N 3.07Å
950	L	97.8	Very high	95.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-44.4	178.5	-69.2	171.2	0	0	0	111.7	V925 I928 F946 G948 Q952 L953 V954 A971 A974 I975 I978	V925-L950 HydrophobicContact CB-CD2 4.3Å; V925-L950 HydrophobicContact CG1-CD2 3.84Å; V925-L950 HydrophobicContact CG2-CD2 3.72Å; I928-L950 HydrophobicContact CG2-CD1 4.05Å; F946-L950 HydrophobicContact CB-CD1 4.45Å; F946-L950 WeakPolarHBondContact O-CB 3.44Å; F946-L950 VanDerWaalsContact O-CG 3.26Å; F946-L950 WeakPolarHBondContact O-CG 3.23Å; F946-L950 PolarHBondContact O-N 2.98Å; G948-L950 VanDerWaalsContact C-N 3.34Å; G948-L950 PolarHBondContact O-N 2.71Å; L950-Q952 VanDerWaalsContact C-N 3.28Å; L950-Q952 PolarHBondContact O-N 2.95Å; L950-L953 PolarHBondContact O-N 2.86Å; L950-V954 WeakPolarHBondContact O-CG2 3.25Å; L950-V954 PolarHBondContact O-N 3.15Å; L950-A971 HydrophobicContact CD2-CB 4.11Å; L950-A974 HydrophobicContact CD1-CB 4.02Å; L950-A974 HydrophobicContact CD2-CB 4.18Å; L950-I975 HydrophobicContact CB-CD1 3.82Å; L950-I975 HydrophobicContact CB-CG1 3.7Å; L950-I975 HydrophobicContact CD1-CG1 3.98Å; L950-I975 HydrophobicContact CG-CG1 4.46Å; L950-I978 HydrophobicContact CD1-CD1 3.97Å
951	I	96.8	Very high	95.5	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-38	176	-70.8	170.5	0	0	0	111.1	V947 G948 P949 L953 V954 E955 I975 L990 L996 W1003	V947-I951 HydrophobicContact CG1-CD1 4.01Å; V947-I951 VanDerWaalsContact O-CG1 3.32Å; V947-I951 WeakPolarHBondContact O-CG1 3.41Å; V947-I951 PolarHBondContact O-N 3.13Å; V947-I951 VanDerWaalsContact O-N 3.1Å; G948-I951 PolarHBondContact O-N 2.85Å; P949-I951 PolarHBondContact O-N 3.35Å; I951-L953 VanDerWaalsContact C-N 3.35Å; I951-V954 PolarHBondContact O-N 3.26Å; I951-E955 WeakPolarHBondContact O-CB 3.35Å; I951-E955 WeakPolarHBondContact O-CG 3.4Å; I951-E955 PolarHBondContact O-N 2.72Å; I951-I975 HydrophobicContact CG1-CD1 3.91Å; I951-L990 HydrophobicContact CD1-CD1 3.98Å; I951-L990 HydrophobicContact CD1-CD2 3.57Å; I951-L990 HydrophobicContact CD1-CG 4.46Å; I951-L996 HydrophobicContact CD1-CD1 4.13Å; I951-W1003 HydrophobicContact CG1-CH2 4.06Å; I951-W1003 HydrophobicContact CG1-CZ2 4.37Å
952	Q	96	Very high	95.3	Very high	130 Å²	130	53.1 Å²	53.1	61%	0.607	29%	0.292	S	S	*	.	H	α-helix	trans	-64.3	-39.4	177.2	-70	173.2	4.5	0	0	112	G948 P949 L950 A956	G948-Q952 WeakPolarHBondContact O-CG 3.36Å; G948-Q952 PolarHBondContact O-N 2.92Å; G948-Q952 VanDerWaalsContact O-N 3.07Å; P949-Q952 WeakPolarHBondContact O-CB 3.42Å; P949-Q952 PolarHBondContact O-N 2.99Å; P949-Q952 VanDerWaalsContact O-N 3.1Å; L950-Q952 VanDerWaalsContact C-N 3.28Å; L950-Q952 PolarHBondContact O-N 2.95Å; Q952-A956 PolarHBondContact O-N 2.55Å
953	L	96.2	Very high	95.1	Very high	28 Å²	28	59.2 Å²	59.2	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-48.1	174.9	-70.6	172.8	0	0	0	111.3	V913 V925 P949 L950 I951 E955 A956 S959 A971	V913-L953 HydrophobicContact CG2-CD1 3.98Å; V925-L953 HydrophobicContact CG2-CD1 3.86Å; P949-L953 PolarHBondContact O-N 3.07Å; L950-L953 PolarHBondContact O-N 2.86Å; I951-L953 VanDerWaalsContact C-N 3.35Å; L953-E955 VanDerWaalsContact C-N 3.28Å; L953-E955 PolarHBondContact O-N 3.4Å; L953-A956 WeakPolarHBondContact O-CB 3.49Å; L953-A956 PolarHBondContact O-N 3.25Å; L953-S959 WeakPolarHBondContact O-CB 3.25Å; L953-A971 HydrophobicContact CB-CB 4.41Å
954	V	97.5	Very high	95	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.048	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-36.8	-178	177.1	0	0	0	0	112.3	L950 I951 S959 A971 I972 I975 W1003	L950-V954 WeakPolarHBondContact O-CG2 3.25Å; L950-V954 PolarHBondContact O-N 3.15Å; I951-V954 PolarHBondContact O-N 3.26Å; V954-S959 WeakPolarHBondContact O-CB 3.49Å; V954-S959 PolarHBondContact O-OG 3.08Å; V954-A971 HydrophobicContact CG2-CB 3.65Å; V954-I972 HydrophobicContact CB-CG1 4.43Å; V954-I972 HydrophobicContact CG1-CD1 4.18Å; V954-I972 HydrophobicContact CG1-CG1 3.72Å; V954-I972 HydrophobicContact CG2-CG1 3.75Å; V954-I975 HydrophobicContact CG2-CD1 4.19Å; V954-W1003 HydrophobicContact CG1-CB 4.04Å; V954-W1003 HydrophobicContact CG1-CD2 3.5Å; V954-W1003 HydrophobicContact CG1-CE3 4.03Å; V954-W1003 HydrophobicContact CG1-CG 3.48Å; V954-W1003 VanDerWaalsContact CG1-CG 3.48Å; V954-W1003 HydrophobicContact CG1-CZ2 4.45Å
955	E	96.3	Very high	95.1	Very high	90 Å²	90	58.6 Å²	58.6	42%	0.421	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	9.5	-177.1	-61.6	-169	164.8	0	0	114.6	I951 L953 R999 W1003	I951-E955 WeakPolarHBondContact O-CB 3.35Å; I951-E955 WeakPolarHBondContact O-CG 3.4Å; I951-E955 PolarHBondContact O-N 2.72Å; L953-E955 VanDerWaalsContact C-N 3.28Å; L953-E955 PolarHBondContact O-N 3.4Å; E955-R999 IonicContact OE1-CZ 3.54Å; E955-R999 IonicContact OE1-NE 3.5Å; E955-R999 PolarHBondContact OE1-NE 3.24Å; E955-R999 IonicContact OE1-NH2 2.61Å; E955-R999 PolarHBondContact OE1-NH2 3.05Å; E955-R999 VanDerWaalsContact OE1-NH2 3.1Å; E955-R999 IonicContact OE2-CZ 3.21Å; E955-R999 IonicContact OE2-NE 3.35Å; E955-R999 IonicContact OE2-NH2 3.26Å; E955-R999 PolarHBondContact OE2-NH2 3.08Å; E955-W1003 PolarHBondContact OE1-NE1 3.13Å
956	A	95.9	Very high	95.1	Very high	27 Å²	27	57.4 Å²	57.4	22%	0.223	31%	0.307	C	S	.	.	S	Bend	trans	-60.6	142.1	171.9	0	0	0	0	0	110	Q952 L953 D958 S959	Q952-A956 PolarHBondContact O-N 2.55Å; L953-A956 WeakPolarHBondContact O-CB 3.49Å; L953-A956 PolarHBondContact O-N 3.25Å; A956-D958 WeakPolarHBondContact CB-OD1 3.12Å; A956-D958 PolarHBondContact O-N 2.95Å; A956-D958 VanDerWaalsContact O-N 3.09Å; A956-S959 VanDerWaalsContact O-CB 3.29Å; A956-S959 WeakPolarHBondContact O-CB 3.26Å; A956-S959 PolarHBondContact O-N 3.4Å; A956-S959 VanDerWaalsContact O-N 3.08Å; A956-S959 PolarHBondContact O-OG 2.75Å; A956-S959 VanDerWaalsContact O-OG 3.11Å
957	P	95.4	Very high	95.1	Very high	143 Å²	143	57.1 Å²	57.1	93%	0.929	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.6	-178.2	-25.8	34.7	0	0	0	114.6
958	D	95.1	Very high	95.2	Very high	90 Å²	90	57.3 Å²	57.3	48%	0.481	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	11.5	-177.5	61.9	-31.1	0	0	0	113.2	A956 K960 S961 N964	A956-D958 WeakPolarHBondContact CB-OD1 3.12Å; A956-D958 PolarHBondContact O-N 2.95Å; A956-D958 VanDerWaalsContact O-N 3.09Å; D958-K960 PolarHBondContact O-N 2.62Å; D958-S961 WeakPolarHBondContact O-CB 3.49Å; D958-S961 PolarHBondContact O-N 3.49Å; D958-S961 PolarHBondContact O-OG 2.84Å; D958-N964 WeakPolarHBondContact O-CB 3.31Å; D958-N964 PolarHBondContact O-ND2 3.43Å; D958-N964 VanDerWaalsContact O-ND2 3.16Å; D958-N964 PolarHBondContact OD2-ND2 3.19Å
959	S	94.7	Very high	95.3	Very high	13 Å²	13	55.8 Å²	55.8	9%	0.091	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.2	-176.4	68.3	0	0	0	0	113.4	L953 V954 A956 N964 N965 T968	L953-S959 WeakPolarHBondContact O-CB 3.25Å; V954-S959 WeakPolarHBondContact O-CB 3.49Å; V954-S959 PolarHBondContact O-OG 3.08Å; A956-S959 VanDerWaalsContact O-CB 3.29Å; A956-S959 WeakPolarHBondContact O-CB 3.26Å; A956-S959 PolarHBondContact O-N 3.4Å; A956-S959 VanDerWaalsContact O-N 3.08Å; A956-S959 PolarHBondContact O-OG 2.75Å; A956-S959 VanDerWaalsContact O-OG 3.11Å; S959-N964 CarbonylContact O-C 3.34Å; S959-N965 WeakPolarHBondContact O-CA 3.31Å; S959-T968 WeakPolarHBondContact CB-OG1 3.4Å; S959-T968 WeakPolarHBondContact O-CB 3.25Å; S959-T968 PolarHBondContact O-OG1 3.26Å
960	K	92.5	Very high	95.3	Very high	105 Å²	105	55.1 Å²	55.1	46%	0.457	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	16.9	177.7	-63.7	-59.1	-168.9	172.9	0	114.1	D958 N965	D958-K960 PolarHBondContact O-N 2.62Å; K960-N965 WeakPolarHBondContact CD-OD1 3.37Å; K960-N965 PolarHBondContact NZ-OD1 3.49Å
961	S	94.1	Very high	95.3	Very high	41 Å²	41	55.1 Å²	55.1	29%	0.287	29%	0.287	S	S	.	.	S	Bend	trans	-71.5	159.7	168.5	60.4	0	0	0	0	111	D958 E963 N964 N965	D958-S961 WeakPolarHBondContact O-CB 3.49Å; D958-S961 PolarHBondContact O-N 3.49Å; D958-S961 PolarHBondContact O-OG 2.84Å; S961-E963 VanDerWaalsContact C-N 3.25Å; S961-E963 PolarHBondContact O-N 2.74Å; S961-N964 PolarHBondContact O-N 3.4Å; S961-N964 VanDerWaalsContact O-N 3.13Å; S961-N964 WeakPolarHBondContact OG-CB 3.49Å; S961-N964 PolarHBondContact OG-ND2 3.34Å; S961-N965 WeakPolarHBondContact O-CB 3.46Å; S961-N965 PolarHBondContact O-N 2.53Å
962	E	88.8	Confident	95.4	Very high	196 Å²	196	54.6 Å²	54.6	92%	0.916	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-40.2	-179.8	-168.3	171.7	-177.5	0	0	112.1
963	E	91.2	Very high	95.5	Very high	161 Å²	161	48.4 Å²	48.4	75%	0.752	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-31.6	178.7	-64	175.2	-172.4	0	0	113.6	P918 S961	P918-E963 WeakPolarHBondContact CB-O 3.39Å; S961-E963 VanDerWaalsContact C-N 3.25Å; S961-E963 PolarHBondContact O-N 2.74Å
964	N	94.7	Very high	95.6	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.07	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-13.2	-171	-71.2	-40.3	0	0	0	114.5	P918 R921 D958 S959 S961 L966 C967 T968	P918-N964 WeakPolarHBondContact CG-OD1 3.18Å; R921-N964 PolarHBondContact NH2-OD1 3.45Å; D958-N964 WeakPolarHBondContact O-CB 3.31Å; D958-N964 PolarHBondContact O-ND2 3.43Å; D958-N964 VanDerWaalsContact O-ND2 3.16Å; D958-N964 PolarHBondContact OD2-ND2 3.19Å; S959-N964 CarbonylContact O-C 3.34Å; S961-N964 PolarHBondContact O-N 3.4Å; S961-N964 VanDerWaalsContact O-N 3.13Å; S961-N964 WeakPolarHBondContact OG-CB 3.49Å; S961-N964 PolarHBondContact OG-ND2 3.34Å; N964-L966 PolarHBondContact O-N 3.16Å; N964-C967 PolarHBondContact O-N 3.26Å; N964-T968 WeakPolarHBondContact O-CB 3.49Å; N964-T968 PolarHBondContact O-N 3.35Å; N964-T968 PolarHBondContact O-OG1 3.45Å
965	N	95	Very high	95.7	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-43.8	-168.5	-168.7	51.1	0	0	0	112.2	S959 K960 S961 C967 T968 E969 D1008	S959-N965 WeakPolarHBondContact O-CA 3.31Å; K960-N965 WeakPolarHBondContact CD-OD1 3.37Å; K960-N965 PolarHBondContact NZ-OD1 3.49Å; S961-N965 WeakPolarHBondContact O-CB 3.46Å; S961-N965 PolarHBondContact O-N 2.53Å; N965-C967 PolarHBondContact O-N 3.09Å; N965-T968 CarbonylContact O-C 3.01Å; N965-T968 WeakPolarHBondContact O-CA 3.48Å; N965-T968 WeakPolarHBondContact O-CB 3.43Å; N965-T968 PolarHBondContact O-N 3.08Å; N965-E969 PolarHBondContact ND2-OE1 2.82Å; N965-E969 VanDerWaalsContact ND2-OE1 3.17Å; N965-E969 WeakPolarHBondContact O-CG 3.48Å; N965-E969 PolarHBondContact O-N 3.42Å; N965-D1008 VanDerWaalsContact ND2-CG 3.29Å; N965-D1008 PolarHBondContact ND2-OD2 2.74Å
966	L	94.8	Very high	95.7	Very high	73 Å²	73	42.5 Å²	42.5	38%	0.382	23%	0.227	S	C	.	.	H	α-helix	trans	-59	-46.2	178.1	-75.4	170.2	0	0	0	112.7	N964 T968 E969 N970 D1008 D1009	N964-L966 PolarHBondContact O-N 3.16Å; L966-T968 VanDerWaalsContact C-N 3.3Å; L966-T968 PolarHBondContact O-N 3.39Å; L966-E969 PolarHBondContact O-N 3.25Å; L966-N970 WeakPolarHBondContact O-CB 3.43Å; L966-N970 PolarHBondContact O-N 3.33Å; L966-N970 PolarHBondContact O-ND2 2.95Å; L966-D1008 HydrophobicContact CD2-CB 3.85Å; L966-D1009 HydrophobicContact CD2-CB 4.16Å
967	C	96.7	Very high	95.8	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-41.9	173.3	178.2	0	0	0	0	111.6	R921 Q922 N964 N965 N970 A971	R921-C967 WeakPolarHBondContact CB-SG 3.27Å; Q922-C967 HydrophobicContact CB-CB 4Å; N964-C967 PolarHBondContact O-N 3.26Å; N965-C967 PolarHBondContact O-N 3.09Å; C967-N970 WeakPolarHBondContact O-CB 3.35Å; C967-N970 PolarHBondContact O-N 2.95Å; C967-A971 WeakPolarHBondContact O-CB 3.06Å; C967-A971 PolarHBondContact O-N 2.93Å
968	T	97.5	Very high	95.9	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-41.7	179	-64.8	0	0	0	0	112.2	S959 N964 N965 L966 A971 I972	S959-T968 WeakPolarHBondContact CB-OG1 3.4Å; S959-T968 WeakPolarHBondContact O-CB 3.25Å; S959-T968 PolarHBondContact O-OG1 3.26Å; N964-T968 WeakPolarHBondContact O-CB 3.49Å; N964-T968 PolarHBondContact O-N 3.35Å; N964-T968 PolarHBondContact O-OG1 3.45Å; N965-T968 CarbonylContact O-C 3.01Å; N965-T968 WeakPolarHBondContact O-CA 3.48Å; N965-T968 WeakPolarHBondContact O-CB 3.43Å; N965-T968 PolarHBondContact O-N 3.08Å; L966-T968 VanDerWaalsContact C-N 3.3Å; L966-T968 PolarHBondContact O-N 3.39Å; T968-A971 PolarHBondContact O-N 3.28Å; T968-A971 VanDerWaalsContact O-N 3.17Å; T968-I972 HydrophobicContact CG2-CD1 4.21Å; T968-I972 WeakPolarHBondContact O-CG1 3.21Å; T968-I972 PolarHBondContact O-N 2.75Å
969	E	97.2	Very high	96.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-42.3	175.5	-67.1	-164.9	169.8	0	0	111.5	N965 L966 A971 I972 S973 I1006 C1007 D1008 D1009	N965-E969 PolarHBondContact ND2-OE1 2.82Å; N965-E969 VanDerWaalsContact ND2-OE1 3.17Å; N965-E969 WeakPolarHBondContact O-CG 3.48Å; N965-E969 PolarHBondContact O-N 3.42Å; L966-E969 PolarHBondContact O-N 3.25Å; E969-A971 VanDerWaalsContact C-N 3.28Å; E969-A971 PolarHBondContact O-N 3.32Å; E969-I972 PolarHBondContact O-N 3.4Å; E969-S973 PolarHBondContact O-N 2.65Å; E969-I1006 HydrophobicContact CB-CB 4.21Å; E969-I1006 HydrophobicContact CB-CG2 4.19Å; E969-I1006 HydrophobicContact CG-CB 3.75Å; E969-I1006 HydrophobicContact CG-CG2 3.76Å; E969-I1006 WeakPolarHBondContact OE1-CA 3.5Å; E969-C1007 PolarHBondContact OE1-N 3.07Å; E969-C1007 PolarHBondContact OE2-N 3.45Å; E969-D1008 PolarHBondContact OE1-N 3.44Å; E969-D1008 PolarHBondContact OE2-N 3.21Å; E969-D1009 PolarHBondContact OE2-N 3.31Å
970	N	97.8	Very high	96.1	Very high	4 Å²	4	33 Å²	33	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-58.6	-39.4	170.7	-89	-92	0	0	0	111.7	Q922 V925 L966 C967 S973 A974 D1009 E1012	Q922-N970 HydrophobicContact CG-CB 4.31Å; V925-N970 HydrophobicContact CG1-CB 3.95Å; V925-N970 WeakPolarHBondContact CG1-O 3.44Å; L966-N970 WeakPolarHBondContact O-CB 3.43Å; L966-N970 PolarHBondContact O-N 3.33Å; L966-N970 PolarHBondContact O-ND2 2.95Å; C967-N970 WeakPolarHBondContact O-CB 3.35Å; C967-N970 PolarHBondContact O-N 2.95Å; N970-S973 CarbonylContact O-C 3.57Å; N970-S973 PolarHBondContact O-N 3.28Å; N970-A974 WeakPolarHBondContact O-CB 3.38Å; N970-A974 PolarHBondContact O-N 3.01Å; N970-D1009 PolarHBondContact ND2-OD2 2.89Å; N970-E1012 WeakPolarHBondContact OD1-CG 3.45Å
971	A	98.2	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69	-40.8	178.1	0	0	0	0	0	112.6	V925 L950 L953 V954 C967 T968 E969 S973 A974 I975	V925-A971 HydrophobicContact CG1-CB 3.82Å; V925-A971 VanDerWaalsContact CG1-N 3.27Å; L950-A971 HydrophobicContact CD2-CB 4.11Å; L953-A971 HydrophobicContact CB-CB 4.41Å; V954-A971 HydrophobicContact CG2-CB 3.65Å; C967-A971 WeakPolarHBondContact O-CB 3.06Å; C967-A971 PolarHBondContact O-N 2.93Å; T968-A971 PolarHBondContact O-N 3.28Å; T968-A971 VanDerWaalsContact O-N 3.17Å; E969-A971 VanDerWaalsContact C-N 3.28Å; E969-A971 PolarHBondContact O-N 3.32Å; A971-S973 VanDerWaalsContact C-N 3.26Å; A971-S973 PolarHBondContact O-N 3.47Å; A971-A974 PolarHBondContact O-N 2.67Å; A971-I975 VanDerWaalsContact O-CG1 3.31Å; A971-I975 WeakPolarHBondContact O-CG1 3.21Å; A971-I975 PolarHBondContact O-N 3.05Å
972	I	98.4	Very high	96.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.2	-45.9	171.7	-68.5	164.3	0	0	0	109.4	V954 T968 E969 I975 T976 W1003 I1006 V1016	V954-I972 HydrophobicContact CB-CG1 4.43Å; V954-I972 HydrophobicContact CG1-CD1 4.18Å; V954-I972 HydrophobicContact CG1-CG1 3.72Å; V954-I972 HydrophobicContact CG2-CG1 3.75Å; T968-I972 HydrophobicContact CG2-CD1 4.21Å; T968-I972 WeakPolarHBondContact O-CG1 3.21Å; T968-I972 PolarHBondContact O-N 2.75Å; E969-I972 PolarHBondContact O-N 3.4Å; I972-I975 PolarHBondContact O-N 3.19Å; I972-T976 PolarHBondContact O-N 2.75Å; I972-T976 PolarHBondContact O-OG1 2.96Å; I972-T976 VanDerWaalsContact O-OG1 3.14Å; I972-W1003 HydrophobicContact CD1-CB 3.76Å; I972-W1003 HydrophobicContact CG1-CB 3.97Å; I972-W1003 HydrophobicContact CG1-CE3 4.16Å; I972-W1003 HydrophobicContact CG2-CE3 4.4Å; I972-I1006 HydrophobicContact CB-CG2 4.35Å; I972-I1006 HydrophobicContact CD1-CG2 3.54Å; I972-I1006 HydrophobicContact CG2-CG2 4.17Å; I972-V1016 HydrophobicContact CG2-CG1 4.46Å; I972-V1016 HydrophobicContact CG2-CG2 4.28Å
973	S	98.2	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70	-38.1	-180	-170.2	0	0	0	0	113.6	E969 N970 A971 I975 T976 K977 E1012	E969-S973 PolarHBondContact O-N 2.65Å; N970-S973 CarbonylContact O-C 3.57Å; N970-S973 PolarHBondContact O-N 3.28Å; A971-S973 VanDerWaalsContact C-N 3.26Å; A971-S973 PolarHBondContact O-N 3.47Å; S973-I975 VanDerWaalsContact C-N 3.31Å; S973-I975 PolarHBondContact O-N 3.43Å; S973-T976 CarbonylContact O-C 3.59Å; S973-T976 WeakPolarHBondContact O-CA 3.33Å; S973-T976 VanDerWaalsContact O-CB 3.28Å; S973-T976 WeakPolarHBondContact O-CB 3.44Å; S973-T976 PolarHBondContact O-N 2.88Å; S973-K977 WeakPolarHBondContact O-CG 3.46Å; S973-K977 PolarHBondContact O-N 3.1Å; S973-E1012 WeakPolarHBondContact CB-OE2 3.3Å; S973-E1012 PolarHBondContact OG-OE2 2.97Å
974	A	98.3	Very high	96.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-59.1	-43.5	173.2	0	0	0	0	0	111.2	V925 L950 N970 A971 T976 K977 I978	V925-A974 HydrophobicContact CG1-CB 3.95Å; V925-A974 WeakPolarHBondContact O-CB 3.33Å; L950-A974 HydrophobicContact CD1-CB 4.02Å; L950-A974 HydrophobicContact CD2-CB 4.18Å; N970-A974 WeakPolarHBondContact O-CB 3.38Å; N970-A974 PolarHBondContact O-N 3.01Å; A971-A974 PolarHBondContact O-N 2.67Å; A974-T976 VanDerWaalsContact C-N 3.33Å; A974-T976 PolarHBondContact O-N 3.27Å; A974-K977 PolarHBondContact O-N 3.02Å; A974-I978 WeakPolarHBondContact O-CG1 3.38Å; A974-I978 PolarHBondContact O-N 2.82Å
975	I	98.3	Very high	96.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-41.4	172.9	-62	166.7	0	0	0	110.5	L950 I951 V954 A971 I972 S973 I978 M979 L996 W1003	L950-I975 HydrophobicContact CB-CD1 3.82Å; L950-I975 HydrophobicContact CB-CG1 3.7Å; L950-I975 HydrophobicContact CD1-CG1 3.98Å; L950-I975 HydrophobicContact CG-CG1 4.46Å; I951-I975 HydrophobicContact CG1-CD1 3.91Å; V954-I975 HydrophobicContact CG2-CD1 4.19Å; A971-I975 VanDerWaalsContact O-CG1 3.31Å; A971-I975 WeakPolarHBondContact O-CG1 3.21Å; A971-I975 PolarHBondContact O-N 3.05Å; I972-I975 PolarHBondContact O-N 3.19Å; S973-I975 VanDerWaalsContact C-N 3.31Å; S973-I975 PolarHBondContact O-N 3.43Å; I975-I978 PolarHBondContact O-N 2.88Å; I975-M979 HydrophobicContact CG2-CE 4.22Å; I975-M979 HydrophobicContact CG2-CG 4.39Å; I975-M979 WeakPolarHBondContact O-CG 3.45Å; I975-M979 PolarHBondContact O-N 3.37Å; I975-L996 HydrophobicContact CG2-CD2 3.99Å; I975-L996 HydrophobicContact CG2-CG 4.49Å; I975-W1003 HydrophobicContact CB-CZ3 4.26Å; I975-W1003 HydrophobicContact CD1-CH2 3.64Å; I975-W1003 HydrophobicContact CD1-CZ3 3.53Å; I975-W1003 HydrophobicContact CG2-CH2 4.32Å; I975-W1003 HydrophobicContact CG2-CZ3 3.96Å
976	T	98	Very high	96.8	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-47	173.8	-65	0	0	0	0	112.4	I972 S973 A974 I978 M979 K980 W1000 Y1019	I972-T976 PolarHBondContact O-N 2.75Å; I972-T976 PolarHBondContact O-OG1 2.96Å; I972-T976 VanDerWaalsContact O-OG1 3.14Å; S973-T976 CarbonylContact O-C 3.59Å; S973-T976 WeakPolarHBondContact O-CA 3.33Å; S973-T976 VanDerWaalsContact O-CB 3.28Å; S973-T976 WeakPolarHBondContact O-CB 3.44Å; S973-T976 PolarHBondContact O-N 2.88Å; A974-T976 VanDerWaalsContact C-N 3.33Å; A974-T976 PolarHBondContact O-N 3.27Å; T976-I978 VanDerWaalsContact C-N 3.32Å; T976-I978 PolarHBondContact O-N 3.14Å; T976-M979 PolarHBondContact O-N 2.69Å; T976-K980 VanDerWaalsContact O-CB 3.28Å; T976-K980 WeakPolarHBondContact O-CB 3.46Å; T976-K980 PolarHBondContact O-N 3.02Å; T976-W1000 PolarHBondContact OG1-NE1 3.33Å; T976-Y1019 VanDerWaalsContact CG2-CB 3.44Å; T976-Y1019 HydrophobicContact CG2-CD1 3.65Å; T976-Y1019 HydrophobicContact CG2-CG 3.77Å
977	K	98	Very high	96.6	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.013	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-41.3	178	-68	168.4	-172.3	171.7	0	110	G929 A932 S973 A974 K980 Y981 E1012	G929-K977 WeakPolarHBondContact O-CD 3.48Å; A932-K977 HydrophobicContact CB-CB 4.42Å; S973-K977 WeakPolarHBondContact O-CG 3.46Å; S973-K977 PolarHBondContact O-N 3.1Å; A974-K977 PolarHBondContact O-N 3.02Å; K977-K980 PolarHBondContact O-N 3.37Å; K977-Y981 HydrophobicContact CB-CD2 4.3Å; K977-Y981 WeakPolarHBondContact O-CB 3.3Å; K977-Y981 VanDerWaalsContact O-CD2 3.23Å; K977-Y981 WeakPolarHBondContact O-CD2 3.25Å; K977-Y981 PolarHBondContact O-N 3.14Å; K977-E1012 WeakPolarHBondContact CE-OE2 3.38Å; K977-E1012 IonicContact NZ-OE1 2.89Å; K977-E1012 PolarHBondContact NZ-OE1 2.83Å; K977-E1012 IonicContact NZ-OE2 2.93Å; K977-E1012 PolarHBondContact NZ-OE2 3.42Å
978	I	97.6	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-50	173.6	-65.7	167.4	0	0	0	111.5	I928 A932 L943 V947 L950 A974 I975 T976 K980 R982 C985 L986	I928-I978 HydrophobicContact CG2-CD1 4.28Å; A932-I978 HydrophobicContact CB-CB 4.41Å; A932-I978 HydrophobicContact CB-CG1 3.61Å; L943-I978 HydrophobicContact CD2-CD1 4.48Å; L943-I978 HydrophobicContact CD2-CG1 4.43Å; V947-I978 HydrophobicContact CG2-CD1 4.04Å; V947-I978 HydrophobicContact CG2-CG2 4.3Å; L950-I978 HydrophobicContact CD1-CD1 3.97Å; A974-I978 WeakPolarHBondContact O-CG1 3.38Å; A974-I978 PolarHBondContact O-N 2.82Å; I975-I978 PolarHBondContact O-N 2.88Å; T976-I978 VanDerWaalsContact C-N 3.32Å; T976-I978 PolarHBondContact O-N 3.14Å; I978-K980 VanDerWaalsContact C-N 3.28Å; I978-K980 PolarHBondContact O-N 3.43Å; I978-R982 CarbonylContact O-C 3.41Å; I978-R982 WeakPolarHBondContact O-CA 3.14Å; I978-R982 PolarHBondContact O-N 3.25Å; I978-C985 HydrophobicContact CG2-CB 4.49Å; I978-L986 HydrophobicContact CG2-CD2 3.87Å
979	M	97.3	Very high	95.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-39.2	178.9	-71.9	-170.6	-65	0	0	112.6	I975 T976 L986 I993 L996 I997 W1000 Y1019	I975-M979 HydrophobicContact CG2-CE 4.22Å; I975-M979 HydrophobicContact CG2-CG 4.39Å; I975-M979 WeakPolarHBondContact O-CG 3.45Å; I975-M979 PolarHBondContact O-N 3.37Å; T976-M979 PolarHBondContact O-N 2.69Å; M979-L986 HydrophobicContact CG-CD1 4.3Å; M979-L986 HydrophobicContact CG-CD2 4.33Å; M979-I993 HydrophobicContact CB-CD1 4.45Å; M979-L996 HydrophobicContact CG-CD2 3.74Å; M979-L996 HydrophobicContact CG-CG 4.44Å; M979-L996 HydrophobicContact SD-CB 4.26Å; M979-L996 HydrophobicContact SD-CD2 3.67Å; M979-L996 HydrophobicContact SD-CG 3.69Å; M979-I997 HydrophobicContact SD-CG1 4.4Å; M979-W1000 HydrophobicContact CE-CB 3.99Å; M979-W1000 HydrophobicContact CE-CD2 3.96Å; M979-W1000 HydrophobicContact CE-CG 3.59Å; M979-Y1019 HydrophobicContact CB-CE1 4Å; M979-Y1019 HydrophobicContact CE-CD1 4.39Å; M979-Y1019 HydrophobicContact CE-CE1 3.91Å; M979-Y1019 HydrophobicContact SD-CE1 4.49Å
980	K	96.4	Very high	95.3	Very high	67 Å²	67	33.3 Å²	33.3	29%	0.291	19%	0.189	S	C	.	.	H	α-helix	trans	-76.4	-45.6	-176.8	-178.6	169	177.7	159.1	0	112.7	T976 K977 I978 Y1019 D1022	T976-K980 VanDerWaalsContact O-CB 3.28Å; T976-K980 WeakPolarHBondContact O-CB 3.46Å; T976-K980 PolarHBondContact O-N 3.02Å; K977-K980 PolarHBondContact O-N 3.37Å; I978-K980 VanDerWaalsContact C-N 3.28Å; I978-K980 PolarHBondContact O-N 3.43Å; K980-Y1019 HydrophobicContact CB-CD2 3.71Å; K980-Y1019 HydrophobicContact CB-CE2 3.76Å; K980-Y1019 HydrophobicContact CB-CG 4.31Å; K980-Y1019 HydrophobicContact CD-CD2 3.74Å; K980-Y1019 HydrophobicContact CD-CE2 4.49Å; K980-Y1019 HydrophobicContact CD-CG 4.32Å; K980-Y1019 HydrophobicContact CG-CD2 3.8Å; K980-Y1019 HydrophobicContact CG-CE2 4.05Å; K980-D1022 VanDerWaalsContact CE-OD2 3.23Å; K980-D1022 WeakPolarHBondContact CE-OD2 3.44Å; K980-D1022 IonicContact NZ-OD2 2.91Å; K980-D1022 PolarHBondContact NZ-OD2 3.43Å
981	Y	96.7	Very high	94.7	Very high	81 Å²	81	36 Å²	36	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-104.8	-24.8	-167.8	-62.5	-74.4	0	0	0	113.9	A932 M933 K977	A932-Y981 WeakPolarHBondContact O-CB 3.43Å; M933-Y981 HydrophobicContact CB-CD2 3.91Å; M933-Y981 HydrophobicContact CB-CE2 4.06Å; M933-Y981 HydrophobicContact CB-CG 4.5Å; M933-Y981 HydrophobicContact CG-CD2 3.91Å; M933-Y981 HydrophobicContact CG-CE1 4.37Å; M933-Y981 HydrophobicContact CG-CE2 3.6Å; M933-Y981 HydrophobicContact CG-CG 4.45Å; M933-Y981 HydrophobicContact SD-CE2 4.01Å; K977-Y981 HydrophobicContact CB-CD2 4.3Å; K977-Y981 WeakPolarHBondContact O-CB 3.3Å; K977-Y981 VanDerWaalsContact O-CD2 3.23Å; K977-Y981 WeakPolarHBondContact O-CD2 3.25Å; K977-Y981 PolarHBondContact O-N 3.14Å
982	R	95.5	Very high	94.2	Very high	38 Å²	38	37.5 Å²	37.5	14%	0.143	23%	0.233	C	C	.	.			trans	-140.2	52.9	-177.2	-62	-62.2	-174.1	-83.5	-16.1	112.5	G936 N940 L943 I978 E984 C985	G936-R982 PolarHBondContact O-NE 2.95Å; G936-R982 PolarHBondContact O-NH2 3.28Å; N940-R982 WeakPolarHBondContact OD1-CD 3.45Å; N940-R982 PolarHBondContact OD1-NE 3.29Å; L943-R982 HydrophobicContact CD1-CB 4.3Å; L943-R982 HydrophobicContact CD1-CG 3.98Å; I978-R982 CarbonylContact O-C 3.41Å; I978-R982 WeakPolarHBondContact O-CA 3.14Å; I978-R982 PolarHBondContact O-N 3.25Å; R982-E984 VanDerWaalsContact C-OE2 3.31Å; R982-E984 WeakPolarHBondContact CA-OE2 3.03Å; R982-E984 WeakPolarHBondContact CD-OE1 3.17Å; R982-E984 PolarHBondContact O-N 2.94Å; R982-C985 HydrophobicContact CB-CB 4.31Å; R982-C985 WeakPolarHBondContact O-CB 3.47Å; R982-C985 PolarHBondContact O-N 3.4Å
983	P	94.4	Very high	94	Very high	57 Å²	57	40.1 Å²	40.1	37%	0.37	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-58.3	-23.5	-178.6	26.2	-36.2	0	0	0	113.4	C985 L986 I993	P983-C985 PolarHBondContact O-N 2.65Å; P983-L986 WeakPolarHBondContact O-CB 3.47Å; P983-L986 WeakPolarHBondContact O-CG 3.47Å; P983-L986 PolarHBondContact O-N 2.92Å; P983-I993 HydrophobicContact CB-CD1 4.03Å
984	E	93.5	Very high	93.7	Very high	120 Å²	120	44.2 Å²	44.2	56%	0.561	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-64.8	-19.3	173.5	67.3	-87	-160.7	0	0	114.3	N940 R982 L986	N940-E984 PolarHBondContact ND2-OE1 3.22Å; R982-E984 VanDerWaalsContact C-OE2 3.31Å; R982-E984 WeakPolarHBondContact CA-OE2 3.03Å; R982-E984 WeakPolarHBondContact CD-OE1 3.17Å; R982-E984 PolarHBondContact O-N 2.94Å; E984-L986 VanDerWaalsContact C-N 3.31Å
985	C	94.7	Very high	93.4	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.047	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-84.2	-5.7	177.6	-62.5	0	0	0	0	112.7	N940 L943 S944 I978 R982 P983 P987	N940-C985 VanDerWaalsContact CA-SG 3.55Å; N940-C985 VanDerWaalsContact CB-SG 3.54Å; L943-C985 HydrophobicContact CB-CB 3.95Å; S944-C985 VanDerWaalsContact CA-O 3.25Å; S944-C985 WeakPolarHBondContact CA-O 3.22Å; S944-C985 VanDerWaalsContact CB-O 3.29Å; S944-C985 WeakPolarHBondContact CB-O 3.37Å; I978-C985 HydrophobicContact CG2-CB 4.49Å; R982-C985 HydrophobicContact CB-CB 4.31Å; R982-C985 WeakPolarHBondContact O-CB 3.47Å; R982-C985 PolarHBondContact O-N 3.4Å; P983-C985 PolarHBondContact O-N 2.65Å; C985-P987 WeakPolarHBondContact O-CD 3.14Å
986	L	95.2	Very high	93.3	Very high	20 Å²	20	46.6 Å²	46.6	11%	0.105	29%	0.287	C	S	.	.	S	Bend	trans	-67.6	124.6	179.8	-66	177.2	0	0	0	110.6	V947 I978 M979 P983 E984 I993 L996	V947-L986 HydrophobicContact CG1-CD2 4.44Å; I978-L986 HydrophobicContact CG2-CD2 3.87Å; M979-L986 HydrophobicContact CG-CD1 4.3Å; M979-L986 HydrophobicContact CG-CD2 4.33Å; P983-L986 WeakPolarHBondContact O-CB 3.47Å; P983-L986 WeakPolarHBondContact O-CG 3.47Å; P983-L986 PolarHBondContact O-N 2.92Å; E984-L986 VanDerWaalsContact C-N 3.31Å; L986-I993 HydrophobicContact CD1-CB 3.86Å; L986-I993 HydrophobicContact CD1-CD1 4.48Å; L986-I993 HydrophobicContact CD1-CG1 3.94Å; L986-L996 HydrophobicContact CD1-CD2 4.25Å; L986-L996 HydrophobicContact CD2-CD2 3.6Å
987	P	91.3	Very high	93.1	Very high	30 Å²	30	46.6 Å²	46.6	20%	0.195	29%	0.287	C	S	.	.			trans	-57.6	135.3	179.1	-26.5	33.1	0	0	0	111.8	S944 V947 C985 A989 L990	S944-P987 WeakPolarHBondContact O-CG 3.32Å; V947-P987 HydrophobicContact CB-CG 4.02Å; V947-P987 HydrophobicContact CG1-CG 4.46Å; V947-P987 HydrophobicContact CG2-CG 4.43Å; C985-P987 WeakPolarHBondContact O-CD 3.14Å; P987-A989 PolarHBondContact O-N 3.02Å; P987-L990 HydrophobicContact CB-CG 4.42Å; P987-L990 HydrophobicContact CG-CD1 4.35Å; P987-L990 WeakPolarHBondContact O-CB 3.48Å; P987-L990 PolarHBondContact O-N 2.95Å
988	P	86.4	Confident	92.9	Very high	128 Å²	128	50.5 Å²	50.5	83%	0.831	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-55	-28.3	177.6	-27.4	34.4	0	0	0	113.8	L990 G991	P988-L990 PolarHBondContact O-N 2.84Å; P988-L990 VanDerWaalsContact O-N 3.16Å; P988-G991 PolarHBondContact O-N 3.33Å
989	A	88.1	Confident	92.8	Very high	101 Å²	101	54.9 Å²	54.9	84%	0.835	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-61.3	-19.2	178.5	0	0	0	0	0	114.1	P987 G991	P987-A989 PolarHBondContact O-N 3.02Å; A989-G991 VanDerWaalsContact C-N 3.27Å; A989-G991 PolarHBondContact O-N 3.36Å
990	L	88.1	Confident	92.8	Very high	39 Å²	39	54.8 Å²	54.8	20%	0.204	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-79.7	-6.9	178.9	-62.8	178.2	0	0	0	113.6	V947 I951 P987 P988 G992 A995 L996	V947-L990 HydrophobicContact CG1-CD1 3.55Å; I951-L990 HydrophobicContact CD1-CD1 3.98Å; I951-L990 HydrophobicContact CD1-CD2 3.57Å; I951-L990 HydrophobicContact CD1-CG 4.46Å; P987-L990 HydrophobicContact CB-CG 4.42Å; P987-L990 HydrophobicContact CG-CD1 4.35Å; P987-L990 WeakPolarHBondContact O-CB 3.48Å; P987-L990 PolarHBondContact O-N 2.95Å; P988-L990 PolarHBondContact O-N 2.84Å; P988-L990 VanDerWaalsContact O-N 3.16Å; L990-G992 VanDerWaalsContact C-N 3.35Å; L990-A995 VanDerWaalsContact O-CB 3.26Å; L990-A995 WeakPolarHBondContact O-CB 3.43Å; L990-L996 HydrophobicContact CD1-CD2 4.22Å
991	G	86.5	Confident	92.8	Very high	60 Å²	60	51.9 Å²	51.9	62%	0.619	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	15.8	-177.3	0	0	0	0	0	114	P988 A989	P988-G991 PolarHBondContact O-N 3.33Å; A989-G991 VanDerWaalsContact C-N 3.27Å; A989-G991 PolarHBondContact O-N 3.36Å
992	G	87.8	Confident	92.7	Very high	33 Å²	33	49.6 Å²	49.6	34%	0.34	32%	0.316	S	S	.	.			trans	86.6	176.9	-178.9	0	0	0	0	0	113.8	L990 D994 A995 L996	L990-G992 VanDerWaalsContact C-N 3.35Å; G992-D994 VanDerWaalsContact C-N 3.3Å; G992-D994 PolarHBondContact O-N 3.46Å; G992-A995 PolarHBondContact O-N 3.37Å; G992-L996 PolarHBondContact O-N 3.19Å
993	I	92.7	Very high	92.7	Very high	55 Å²	55	49 Å²	49	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-37.6	-174.6	-165.5	171.1	0	0	0	112.7	M979 P983 L986 A995 L996 I997	M979-I993 HydrophobicContact CB-CD1 4.45Å; P983-I993 HydrophobicContact CB-CD1 4.03Å; L986-I993 HydrophobicContact CD1-CB 3.86Å; L986-I993 HydrophobicContact CD1-CD1 4.48Å; L986-I993 HydrophobicContact CD1-CG1 3.94Å; I993-A995 PolarHBondContact O-N 3.06Å; I993-L996 PolarHBondContact O-N 3.29Å; I993-I997 HydrophobicContact CG1-CD1 4.11Å; I993-I997 HydrophobicContact CG1-CG1 4.35Å; I993-I997 WeakPolarHBondContact O-CG1 3.26Å; I993-I997 PolarHBondContact O-N 2.94Å
994	D	92.4	Very high	92.8	Very high	86 Å²	86	46.9 Å²	46.9	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-44.6	-179.2	-70.6	-15.6	0	0	0	111.8	G992 L996 I997 V998 V1030	G992-D994 VanDerWaalsContact C-N 3.3Å; G992-D994 PolarHBondContact O-N 3.46Å; D994-L996 VanDerWaalsContact C-N 3.29Å; D994-L996 PolarHBondContact O-N 3Å; D994-I997 PolarHBondContact O-N 2.77Å; D994-V998 PolarHBondContact O-N 3.32Å; D994-V1030 HydrophobicContact CB-CG1 4.44Å; D994-V1030 HydrophobicContact CB-CG2 3.86Å; D994-V1030 WeakPolarHBondContact O-CG1 3.45Å
995	A	92.8	Very high	92.8	Very high	48 Å²	48	42.5 Å²	42.5	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-37	176.7	0	0	0	0	0	111.7	L990 G992 I993 R999	L990-A995 VanDerWaalsContact O-CB 3.26Å; L990-A995 WeakPolarHBondContact O-CB 3.43Å; G992-A995 PolarHBondContact O-N 3.37Å; I993-A995 PolarHBondContact O-N 3.06Å; A995-R999 PolarHBondContact O-N 3.18Å
996	L	94.9	Very high	92.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-70.1	-37.2	176.5	-171.9	58.7	0	0	0	112.4	I951 I975 M979 L986 L990 G992 I993 D994 V998 R999 W1000 W1003	I951-L996 HydrophobicContact CD1-CD1 4.13Å; I975-L996 HydrophobicContact CG2-CD2 3.99Å; I975-L996 HydrophobicContact CG2-CG 4.49Å; M979-L996 HydrophobicContact CG-CD2 3.74Å; M979-L996 HydrophobicContact CG-CG 4.44Å; M979-L996 HydrophobicContact SD-CB 4.26Å; M979-L996 HydrophobicContact SD-CD2 3.67Å; M979-L996 HydrophobicContact SD-CG 3.69Å; L986-L996 HydrophobicContact CD1-CD2 4.25Å; L986-L996 HydrophobicContact CD2-CD2 3.6Å; L990-L996 HydrophobicContact CD1-CD2 4.22Å; G992-L996 PolarHBondContact O-N 3.19Å; I993-L996 PolarHBondContact O-N 3.29Å; D994-L996 VanDerWaalsContact C-N 3.29Å; D994-L996 PolarHBondContact O-N 3Å; L996-V998 VanDerWaalsContact C-N 3.3Å; L996-V998 PolarHBondContact O-N 3.29Å; L996-R999 CarbonylContact O-C 3.6Å; L996-R999 WeakPolarHBondContact O-CB 3.32Å; L996-R999 PolarHBondContact O-N 2.87Å; L996-R999 VanDerWaalsContact O-N 3.11Å; L996-W1000 VanDerWaalsContact O-CB 3.28Å; L996-W1000 WeakPolarHBondContact O-CB 3.45Å; L996-W1000 PolarHBondContact O-N 3.21Å; L996-W1003 HydrophobicContact CD1-CH2 3.93Å
997	I	95.7	Very high	92.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-42.3	175.6	-73.7	166.8	0	0	0	111	M979 I993 D994 R999 W1000 L1001 L1023 V1030 V1031	M979-I997 HydrophobicContact SD-CG1 4.4Å; I993-I997 HydrophobicContact CG1-CD1 4.11Å; I993-I997 HydrophobicContact CG1-CG1 4.35Å; I993-I997 WeakPolarHBondContact O-CG1 3.26Å; I993-I997 PolarHBondContact O-N 2.94Å; D994-I997 PolarHBondContact O-N 2.77Å; I997-R999 VanDerWaalsContact C-N 3.3Å; I997-R999 PolarHBondContact O-N 3.23Å; I997-W1000 PolarHBondContact O-N 3.1Å; I997-L1001 WeakPolarHBondContact O-CB 3.47Å; I997-L1001 PolarHBondContact O-N 2.85Å; I997-L1023 HydrophobicContact CD1-CD1 4.24Å; I997-L1023 HydrophobicContact CD1-CD2 3.98Å; I997-L1023 HydrophobicContact CG1-CD1 4.3Å; I997-L1023 HydrophobicContact CG2-CD1 4.29Å; I997-V1030 HydrophobicContact CB-CG1 4.23Å; I997-V1030 HydrophobicContact CG2-CB 4.44Å; I997-V1030 HydrophobicContact CG2-CG1 4.02Å; I997-V1031 HydrophobicContact CG2-CB 4.2Å; I997-V1031 HydrophobicContact CG2-CG2 4.4Å
998	V	93.8	Very high	92.6	Very high	86 Å²	86	45.2 Å²	45.2	52%	0.521	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-43.2	176.8	178	0	0	0	0	111	D994 L996 G1002 V1030	D994-V998 PolarHBondContact O-N 3.32Å; L996-V998 VanDerWaalsContact C-N 3.3Å; L996-V998 PolarHBondContact O-N 3.29Å; V998-G1002 PolarHBondContact O-N 3.2Å; V998-V1030 HydrophobicContact CG2-CG1 3.42Å; V998-V1030 VanDerWaalsContact CG2-CG1 3.42Å
999	R	94.8	Very high	92.7	Very high	92 Å²	92	40.3 Å²	40.3	35%	0.347	26%	0.262	S	S	.	.	H	α-helix	trans	-69.9	-42	179.6	-161.2	-179.7	-170.6	177.5	-0.1	112	E955 A995 L996 I997 G1002 W1003	E955-R999 IonicContact OE1-CZ 3.54Å; E955-R999 IonicContact OE1-NE 3.5Å; E955-R999 PolarHBondContact OE1-NE 3.24Å; E955-R999 IonicContact OE1-NH2 2.61Å; E955-R999 PolarHBondContact OE1-NH2 3.05Å; E955-R999 VanDerWaalsContact OE1-NH2 3.1Å; E955-R999 IonicContact OE2-CZ 3.21Å; E955-R999 IonicContact OE2-NE 3.35Å; E955-R999 IonicContact OE2-NH2 3.26Å; E955-R999 PolarHBondContact OE2-NH2 3.08Å; A995-R999 PolarHBondContact O-N 3.18Å; L996-R999 CarbonylContact O-C 3.6Å; L996-R999 WeakPolarHBondContact O-CB 3.32Å; L996-R999 PolarHBondContact O-N 2.87Å; L996-R999 VanDerWaalsContact O-N 3.11Å; I997-R999 VanDerWaalsContact C-N 3.3Å; I997-R999 PolarHBondContact O-N 3.23Å; R999-G1002 WeakPolarHBondContact O-CA 3.46Å; R999-G1002 PolarHBondContact O-N 2.94Å; R999-W1003 HydrophobicContact CB-CZ2 4.37Å; R999-W1003 HydrophobicContact CG-CZ2 3.74Å; R999-W1003 PolarHBondContact O-NE1 2.87Å
1000	W	96.8	Very high	92.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-41	178.2	170	83.1	0	0	0	112.6	T976 M979 L996 I997 G1002 W1003 L1004 V1016 Y1019 L1020 L1023	T976-W1000 PolarHBondContact OG1-NE1 3.33Å; M979-W1000 HydrophobicContact CE-CB 3.99Å; M979-W1000 HydrophobicContact CE-CD2 3.96Å; M979-W1000 HydrophobicContact CE-CG 3.59Å; L996-W1000 VanDerWaalsContact O-CB 3.28Å; L996-W1000 WeakPolarHBondContact O-CB 3.45Å; L996-W1000 PolarHBondContact O-N 3.21Å; I997-W1000 PolarHBondContact O-N 3.1Å; W1000-G1002 PolarHBondContact O-N 3.5Å; W1000-G1002 VanDerWaalsContact O-N 3.16Å; W1000-W1003 HydrophobicContact CB-CE3 3.97Å; W1000-W1003 HydrophobicContact CB-CZ3 3.94Å; W1000-W1003 AromaticContact CD1-CE3 3.67Å; W1000-W1003 AromaticContact CD1-CZ3 3.87Å; W1000-W1003 HydrophobicContact CG-CE3 4.17Å; W1000-W1003 HydrophobicContact CG-CZ3 4.33Å; W1000-W1003 PolarHBondContact O-N 2.83Å; W1000-L1004 HydrophobicContact CH2-CD1 4.43Å; W1000-V1016 HydrophobicContact CZ2-CG1 3.72Å; W1000-Y1019 HydrophobicContact CH2-CD1 4.16Å; W1000-Y1019 HydrophobicContact CZ2-CD1 4.22Å; W1000-L1020 HydrophobicContact CH2-CB 3.86Å; W1000-L1020 HydrophobicContact CH2-CD1 4.09Å; W1000-L1020 HydrophobicContact CZ3-CD1 3.98Å; W1000-L1023 HydrophobicContact CZ3-CD1 4.03Å
1001	L	95.9	Very high	92.6	Very high	6 Å²	6	37 Å²	37	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-28.5	170.6	-166.7	70.2	0	0	0	111.3	I997 W1003 L1004 L1020 V1031 N1038 R1041 I1042	I997-L1001 WeakPolarHBondContact O-CB 3.47Å; I997-L1001 PolarHBondContact O-N 2.85Å; L1001-W1003 VanDerWaalsContact C-N 3.26Å; L1001-W1003 PolarHBondContact O-N 3.5Å; L1001-L1004 HydrophobicContact CD1-CD1 4.25Å; L1001-L1020 HydrophobicContact CD1-CD1 4.24Å; L1001-V1031 HydrophobicContact CD1-CG2 4.4Å; L1001-N1038 HydrophobicContact CD2-CB 3.84Å; L1001-R1041 PolarHBondContact O-NE 3.39Å; L1001-R1041 PolarHBondContact O-NH2 3.04Å; L1001-R1041 VanDerWaalsContact O-NH2 3.1Å; L1001-I1042 HydrophobicContact CD1-CD1 4.49Å; L1001-I1042 HydrophobicContact CD1-CG1 3.83Å
1002	G	94.5	Very high	93	Very high	32 Å²	32	34.2 Å²	34.2	33%	0.33	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.3	168.6	0	0	0	0	0	115.9	V998 R999 W1000 R1041	V998-G1002 PolarHBondContact O-N 3.2Å; R999-G1002 WeakPolarHBondContact O-CA 3.46Å; R999-G1002 PolarHBondContact O-N 2.94Å; W1000-G1002 PolarHBondContact O-N 3.5Å; W1000-G1002 VanDerWaalsContact O-N 3.16Å; G1002-R1041 VanDerWaalsContact CA-CZ 3.43Å; G1002-R1041 PolarHBondContact O-NH2 2.87Å
1003	W	96.4	Very high	93.3	Very high	26 Å²	26	32.7 Å²	32.7	10%	0.098	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-12.7	-171.2	-51.5	-35.5	0	0	0	113.9	I951 V954 E955 I972 I975 L996 R999 W1000 L1001	I951-W1003 HydrophobicContact CG1-CH2 4.06Å; I951-W1003 HydrophobicContact CG1-CZ2 4.37Å; V954-W1003 HydrophobicContact CG1-CB 4.04Å; V954-W1003 HydrophobicContact CG1-CD2 3.5Å; V954-W1003 HydrophobicContact CG1-CE3 4.03Å; V954-W1003 HydrophobicContact CG1-CG 3.48Å; V954-W1003 VanDerWaalsContact CG1-CG 3.48Å; V954-W1003 HydrophobicContact CG1-CZ2 4.45Å; E955-W1003 PolarHBondContact OE1-NE1 3.13Å; I972-W1003 HydrophobicContact CD1-CB 3.76Å; I972-W1003 HydrophobicContact CG1-CB 3.97Å; I972-W1003 HydrophobicContact CG1-CE3 4.16Å; I972-W1003 HydrophobicContact CG2-CE3 4.4Å; I975-W1003 HydrophobicContact CB-CZ3 4.26Å; I975-W1003 HydrophobicContact CD1-CH2 3.64Å; I975-W1003 HydrophobicContact CD1-CZ3 3.53Å; I975-W1003 HydrophobicContact CG2-CH2 4.32Å; I975-W1003 HydrophobicContact CG2-CZ3 3.96Å; L996-W1003 HydrophobicContact CD1-CH2 3.93Å; R999-W1003 HydrophobicContact CB-CZ2 4.37Å; R999-W1003 HydrophobicContact CG-CZ2 3.74Å; R999-W1003 PolarHBondContact O-NE1 2.87Å; W1000-W1003 HydrophobicContact CB-CE3 3.97Å; W1000-W1003 HydrophobicContact CB-CZ3 3.94Å; W1000-W1003 AromaticContact CD1-CE3 3.67Å; W1000-W1003 AromaticContact CD1-CZ3 3.87Å; W1000-W1003 HydrophobicContact CG-CE3 4.17Å; W1000-W1003 HydrophobicContact CG-CZ3 4.33Å; W1000-W1003 PolarHBondContact O-N 2.83Å; L1001-W1003 VanDerWaalsContact C-N 3.26Å; L1001-W1003 PolarHBondContact O-N 3.5Å
1004	L	95.9	Very high	93.3	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.068	19%	0.186	C	C	.	.			trans	-73.9	146.8	175.4	-59.3	-174.6	0	0	0	111.6	W1000 L1001 I1006 V1016 L1020 A1045	W1000-L1004 HydrophobicContact CH2-CD1 4.43Å; L1001-L1004 HydrophobicContact CD1-CD1 4.25Å; L1004-I1006 HydrophobicContact CD2-CG2 4.49Å; L1004-V1016 HydrophobicContact CD2-CG1 3.49Å; L1004-V1016 VanDerWaalsContact CD2-CG1 3.49Å; L1004-L1020 HydrophobicContact CD1-CD2 4.16Å; L1004-A1045 HydrophobicContact CB-CB 3.91Å
1005	P	94.5	Very high	93.4	Very high	28 Å²	28	30.6 Å²	30.6	18%	0.182	17%	0.174	C	C	.	.			cis	-84.7	159.6	9.5	33.3	-34.3	0	0	0	115	A1045 E1048	P1005-A1045 HydrophobicContact CB-CB 4.21Å; P1005-E1048 HydrophobicContact CB-CB 4.32Å; P1005-E1048 HydrophobicContact CG-CB 4.09Å; P1005-E1048 HydrophobicContact CG-CG 3.95Å
1006	I	94.9	Very high	93.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.			trans	-116.1	146	156.4	68.6	161.7	0	0	0	108.5	E969 I972 L1004 V1016 Y1017 S1049	E969-I1006 HydrophobicContact CB-CB 4.21Å; E969-I1006 HydrophobicContact CB-CG2 4.19Å; E969-I1006 HydrophobicContact CG-CB 3.75Å; E969-I1006 HydrophobicContact CG-CG2 3.76Å; E969-I1006 WeakPolarHBondContact OE1-CA 3.5Å; I972-I1006 HydrophobicContact CB-CG2 4.35Å; I972-I1006 HydrophobicContact CD1-CG2 3.54Å; I972-I1006 HydrophobicContact CG2-CG2 4.17Å; L1004-I1006 HydrophobicContact CD2-CG2 4.49Å; I1006-V1016 HydrophobicContact CD1-CB 3.67Å; I1006-V1016 HydrophobicContact CD1-CG1 3.99Å; I1006-V1016 HydrophobicContact CD1-CG2 3.5Å; I1006-V1016 VanDerWaalsContact CD1-CG2 3.5Å; I1006-V1016 HydrophobicContact CG1-CB 4.25Å; I1006-V1016 HydrophobicContact CG1-CG1 4.11Å; I1006-V1016 HydrophobicContact CG1-CG2 4.48Å; I1006-Y1017 HydrophobicContact CG1-CE2 4.16Å; I1006-S1049 PolarHBondContact O-OG 3.25Å
1007	C	91.4	Very high	93.7	Very high	21 Å²	21	28.2 Å²	28.2	14%	0.142	16%	0.155	C	C	.	.			trans	-156.8	-12.8	-173.9	52.5	0	0	0	0	116.8	E969 T1052 G1054	E969-C1007 PolarHBondContact OE1-N 3.07Å; E969-C1007 PolarHBondContact OE2-N 3.45Å; C1007-T1052 WeakPolarHBondContact CB-OG1 3.48Å; C1007-G1054 WeakPolarHBondContact O-CA 3.37Å
1008	D	89.5	Confident	93.7	Very high	92 Å²	92	28.5 Å²	28.5	49%	0.492	16%	0.158	S	C	.	.	S	Bend	trans	-86.9	-36.5	-173.9	-66.5	2.2	0	0	0	110.8	N965 L966 E969	N965-D1008 VanDerWaalsContact ND2-CG 3.29Å; N965-D1008 PolarHBondContact ND2-OD2 2.74Å; L966-D1008 HydrophobicContact CD2-CB 3.85Å; E969-D1008 PolarHBondContact OE1-N 3.44Å; E969-D1008 PolarHBondContact OE2-N 3.21Å
1009	D	89.5	Confident	93.8	Very high	25 Å²	25	25.1 Å²	25.1	13%	0.134	14%	0.136	C	C	.	.			trans	-95.6	102.8	173	-168.4	-41.5	0	0	0	111	L966 E969 N970 V1011 E1012 T1013	L966-D1009 HydrophobicContact CD2-CB 4.16Å; E969-D1009 PolarHBondContact OE2-N 3.31Å; N970-D1009 PolarHBondContact ND2-OD2 2.89Å; D1009-V1011 VanDerWaalsContact C-N 3.31Å; D1009-V1011 PolarHBondContact O-N 3.34Å; D1009-V1011 WeakPolarHBondContact OD1-CB 3.42Å; D1009-V1011 PolarHBondContact OD1-N 3.27Å; D1009-E1012 HydrophobicContact CB-CB 4.08Å; D1009-E1012 HydrophobicContact CB-CG 4.35Å; D1009-E1012 PolarHBondContact O-N 3.03Å; D1009-E1012 PolarHBondContact OD1-N 3.23Å; D1009-T1013 VanDerWaalsContact O-CB 3.26Å; D1009-T1013 WeakPolarHBondContact O-CB 3.47Å; D1009-T1013 PolarHBondContact O-N 3.13Å; D1009-T1013 PolarHBondContact O-OG1 3.49Å
1010	T	86.9	Confident	93.9	Very high	45 Å²	45	20.8 Å²	20.8	28%	0.276	12%	0.119	S	C	.	.	H	α-helix	trans	-67	-30.1	-177.6	51.8	0	0	0	0	113.3	E1014	T1010-E1014 PolarHBondContact O-N 2.75Å
1011	V	87.6	Confident	93.9	Very high	26 Å²	26	20.8 Å²	20.8	16%	0.158	12%	0.119	C	C	.	.	H	α-helix	trans	-71.1	-48.1	179.5	176.6	0	0	0	0	109	D1009 T1013 E1014 H1015 V1070	D1009-V1011 VanDerWaalsContact C-N 3.31Å; D1009-V1011 PolarHBondContact O-N 3.34Å; D1009-V1011 WeakPolarHBondContact OD1-CB 3.42Å; D1009-V1011 PolarHBondContact OD1-N 3.27Å; V1011-T1013 VanDerWaalsContact C-N 3.31Å; V1011-T1013 PolarHBondContact O-N 3.14Å; V1011-E1014 PolarHBondContact O-N 3.19Å; V1011-H1015 PolarHBondContact O-CD2 2.93Å; V1011-V1070 HydrophobicContact CG1-CG1 4Å; V1011-V1070 HydrophobicContact CG1-CG2 4.49Å; V1011-V1070 HydrophobicContact CG2-CG2 4.16Å
1012	E	94	Very high	93.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-71.2	-28.8	179.6	-62.7	-54.1	148.4	0	0	112.6	Y926 N970 S973 K977 D1009 E1014 H1015 V1016	Y926-E1012 WeakPolarHBondContact CD2-OE1 3.36Å; Y926-E1012 VanDerWaalsContact CE2-OE1 3.3Å; Y926-E1012 WeakPolarHBondContact CE2-OE1 3.09Å; N970-E1012 WeakPolarHBondContact OD1-CG 3.45Å; S973-E1012 WeakPolarHBondContact CB-OE2 3.3Å; S973-E1012 PolarHBondContact OG-OE2 2.97Å; K977-E1012 WeakPolarHBondContact CE-OE2 3.38Å; K977-E1012 IonicContact NZ-OE1 2.89Å; K977-E1012 PolarHBondContact NZ-OE1 2.83Å; K977-E1012 IonicContact NZ-OE2 2.93Å; K977-E1012 PolarHBondContact NZ-OE2 3.42Å; D1009-E1012 HydrophobicContact CB-CB 4.08Å; D1009-E1012 HydrophobicContact CB-CG 4.35Å; D1009-E1012 PolarHBondContact O-N 3.03Å; D1009-E1012 PolarHBondContact OD1-N 3.23Å; E1012-E1014 VanDerWaalsContact C-N 3.33Å; E1012-E1014 PolarHBondContact O-N 3.29Å; E1012-H1015 PolarHBondContact O-N 2.92Å; E1012-H1015 IonicContact OE2-CD2 2.87Å; E1012-V1016 WeakPolarHBondContact O-CG2 3.26Å; E1012-V1016 PolarHBondContact O-N 3.45Å
1013	T	94	Very high	94	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-57.2	-43	171.6	-64.7	0	0	0	0	112.1	D1009 V1011 H1015 V1016 Y1017 G1054 L1055	D1009-T1013 VanDerWaalsContact O-CB 3.26Å; D1009-T1013 WeakPolarHBondContact O-CB 3.47Å; D1009-T1013 PolarHBondContact O-N 3.13Å; D1009-T1013 PolarHBondContact O-OG1 3.49Å; V1011-T1013 VanDerWaalsContact C-N 3.31Å; V1011-T1013 PolarHBondContact O-N 3.14Å; T1013-H1015 VanDerWaalsContact C-N 3.33Å; T1013-H1015 PolarHBondContact O-N 2.9Å; T1013-V1016 PolarHBondContact O-N 2.8Å; T1013-Y1017 HydrophobicContact CG2-CD2 3.48Å; T1013-Y1017 VanDerWaalsContact CG2-CD2 3.48Å; T1013-Y1017 HydrophobicContact CG2-CE2 3.73Å; T1013-Y1017 WeakPolarHBondContact O-CD2 3.26Å; T1013-Y1017 PolarHBondContact O-N 3.11Å; T1013-G1054 WeakPolarHBondContact CG2-O 3.33Å; T1013-L1055 HydrophobicContact CG2-CB 4.25Å; T1013-L1055 HydrophobicContact CG2-CD1 3.93Å
1014	E	92.6	Very high	93.9	Very high	54 Å²	54	21.6 Å²	21.6	25%	0.252	12%	0.118	S	C	.	.	H	α-helix	trans	-61.6	-40.3	177.7	-178.1	66	-163.8	0	0	111.7	T1010 V1011 E1012 G1018 S1086 A1087	T1010-E1014 PolarHBondContact O-N 2.75Å; V1011-E1014 PolarHBondContact O-N 3.19Å; E1012-E1014 VanDerWaalsContact C-N 3.33Å; E1012-E1014 PolarHBondContact O-N 3.29Å; E1014-G1018 VanDerWaalsContact O-CA 3.32Å; E1014-G1018 WeakPolarHBondContact O-CA 3.49Å; E1014-G1018 PolarHBondContact O-N 3.11Å; E1014-S1086 WeakPolarHBondContact OE1-CA 3.43Å; E1014-A1087 PolarHBondContact OE1-N 3.32Å; E1014-A1087 WeakPolarHBondContact OE2-CB 3.36Å; E1014-A1087 PolarHBondContact OE2-N 2.87Å; E1014-A1087 VanDerWaalsContact OE2-N 3.17Å
1015	H	94.5	Very high	93.9	Very high	44 Å²	44	26 Å²	26	20%	0.204	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-44.9	177.6	-71	-64.4	0	0	0	112.6	V1011 E1012 T1013 Y1019	V1011-H1015 PolarHBondContact O-CD2 2.93Å; E1012-H1015 PolarHBondContact O-N 2.92Å; E1012-H1015 IonicContact OE2-CD2 2.87Å; T1013-H1015 VanDerWaalsContact C-N 3.33Å; T1013-H1015 PolarHBondContact O-N 2.9Å; H1015-Y1019 PolarHBondContact O-N 3.3Å
1016	V	97.5	Very high	93.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69	-51.9	-177.1	172.1	0	0	0	0	111.7	I972 W1000 L1004 I1006 E1012 T1013 G1018 Y1019 L1020	I972-V1016 HydrophobicContact CG2-CG1 4.46Å; I972-V1016 HydrophobicContact CG2-CG2 4.28Å; W1000-V1016 HydrophobicContact CZ2-CG1 3.72Å; L1004-V1016 HydrophobicContact CD2-CG1 3.49Å; L1004-V1016 VanDerWaalsContact CD2-CG1 3.49Å; I1006-V1016 HydrophobicContact CD1-CB 3.67Å; I1006-V1016 HydrophobicContact CD1-CG1 3.99Å; I1006-V1016 HydrophobicContact CD1-CG2 3.5Å; I1006-V1016 VanDerWaalsContact CD1-CG2 3.5Å; I1006-V1016 HydrophobicContact CG1-CB 4.25Å; I1006-V1016 HydrophobicContact CG1-CG1 4.11Å; I1006-V1016 HydrophobicContact CG1-CG2 4.48Å; E1012-V1016 WeakPolarHBondContact O-CG2 3.26Å; E1012-V1016 PolarHBondContact O-N 3.45Å; T1013-V1016 PolarHBondContact O-N 2.8Å; V1016-G1018 VanDerWaalsContact C-N 3.32Å; V1016-Y1019 PolarHBondContact O-N 3.09Å; V1016-L1020 PolarHBondContact O-N 3Å
1017	Y	97	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.7	-29.3	177.6	-75.4	-88.5	0	0	0	112.1	I1006 T1013 Y1019 L1020 C1021 A1045 I1046 S1049 L1055	I1006-Y1017 HydrophobicContact CG1-CE2 4.16Å; T1013-Y1017 HydrophobicContact CG2-CD2 3.48Å; T1013-Y1017 VanDerWaalsContact CG2-CD2 3.48Å; T1013-Y1017 HydrophobicContact CG2-CE2 3.73Å; T1013-Y1017 WeakPolarHBondContact O-CD2 3.26Å; T1013-Y1017 PolarHBondContact O-N 3.11Å; Y1017-Y1019 VanDerWaalsContact C-N 3.34Å; Y1017-Y1019 PolarHBondContact O-N 3.07Å; Y1017-L1020 HydrophobicContact CD1-CD2 3.87Å; Y1017-L1020 HydrophobicContact CE1-CD2 4.16Å; Y1017-L1020 WeakPolarHBondContact O-CB 3.46Å; Y1017-L1020 PolarHBondContact O-N 3.16Å; Y1017-C1021 PolarHBondContact O-N 3.33Å; Y1017-C1021 PolarHBondContact O-SG 3.41Å; Y1017-A1045 PolarHBondContact OH-O 2.96Å; Y1017-I1046 HydrophobicContact CD1-CG1 4.04Å; Y1017-I1046 HydrophobicContact CE1-CB 4.49Å; Y1017-I1046 HydrophobicContact CE1-CG1 3.78Å; Y1017-S1049 WeakPolarHBondContact OH-CB 3.38Å; Y1017-L1055 HydrophobicContact CD2-CD1 4.16Å; Y1017-L1055 HydrophobicContact CG-CD1 4.04Å
1018	G	95.3	Very high	93.7	Very high	6 Å²	6	34.7 Å²	34.7	6%	0.062	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-43.1	170.5	0	0	0	0	0	112.4	E1014 V1016 C1021 D1022 R1090	E1014-G1018 VanDerWaalsContact O-CA 3.32Å; E1014-G1018 WeakPolarHBondContact O-CA 3.49Å; E1014-G1018 PolarHBondContact O-N 3.11Å; V1016-G1018 VanDerWaalsContact C-N 3.32Å; G1018-C1021 PolarHBondContact O-N 3.08Å; G1018-D1022 PolarHBondContact O-N 3.06Å; G1018-D1022 VanDerWaalsContact O-N 3.08Å; G1018-R1090 PolarHBondContact O-NH1 3.39Å; G1018-R1090 VanDerWaalsContact O-NH1 3.12Å
1019	Y	96.9	Very high	93.8	Very high	16 Å²	16	35 Å²	35	6%	0.063	20%	0.199	C	C	.	.	H	α-helix	trans	-71.2	-36.4	173.7	-173.4	-123.7	0	0	0	112.9	T976 M979 K980 W1000 H1015 V1016 Y1017 C1021 D1022 L1023	T976-Y1019 VanDerWaalsContact CG2-CB 3.44Å; T976-Y1019 HydrophobicContact CG2-CD1 3.65Å; T976-Y1019 HydrophobicContact CG2-CG 3.77Å; M979-Y1019 HydrophobicContact CB-CE1 4Å; M979-Y1019 HydrophobicContact CE-CD1 4.39Å; M979-Y1019 HydrophobicContact CE-CE1 3.91Å; M979-Y1019 HydrophobicContact SD-CE1 4.49Å; K980-Y1019 HydrophobicContact CB-CD2 3.71Å; K980-Y1019 HydrophobicContact CB-CE2 3.76Å; K980-Y1019 HydrophobicContact CB-CG 4.31Å; K980-Y1019 HydrophobicContact CD-CD2 3.74Å; K980-Y1019 HydrophobicContact CD-CE2 4.49Å; K980-Y1019 HydrophobicContact CD-CG 4.32Å; K980-Y1019 HydrophobicContact CG-CD2 3.8Å; K980-Y1019 HydrophobicContact CG-CE2 4.05Å; W1000-Y1019 HydrophobicContact CH2-CD1 4.16Å; W1000-Y1019 HydrophobicContact CZ2-CD1 4.22Å; H1015-Y1019 PolarHBondContact O-N 3.3Å; V1016-Y1019 PolarHBondContact O-N 3.09Å; Y1017-Y1019 VanDerWaalsContact C-N 3.34Å; Y1017-Y1019 PolarHBondContact O-N 3.07Å; Y1019-C1021 VanDerWaalsContact C-N 3.27Å; Y1019-C1021 PolarHBondContact O-N 3.44Å; Y1019-D1022 HydrophobicContact CD2-CB 4.33Å; Y1019-D1022 WeakPolarHBondContact O-CB 3.34Å; Y1019-D1022 PolarHBondContact O-N 2.88Å; Y1019-D1022 VanDerWaalsContact O-N 3.15Å; Y1019-L1023 HydrophobicContact CD1-CD1 4.01Å; Y1019-L1023 HydrophobicContact CD1-CG 4.44Å; Y1019-L1023 HydrophobicContact CE1-CD1 3.7Å; Y1019-L1023 HydrophobicContact CE1-CD2 4.42Å; Y1019-L1023 HydrophobicContact CE1-CG 4.15Å; Y1019-L1023 HydrophobicContact CE2-CD2 4.25Å; Y1019-L1023 HydrophobicContact CE2-CG 4.28Å; Y1019-L1023 WeakPolarHBondContact O-CG 3.49Å; Y1019-L1023 PolarHBondContact O-N 2.93Å
1020	L	97.4	Very high	94	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-45	172.4	-176.7	59.6	0	0	0	111	W1000 L1001 L1004 V1016 Y1017 L1023 I1024 V1031 I1042	W1000-L1020 HydrophobicContact CH2-CB 3.86Å; W1000-L1020 HydrophobicContact CH2-CD1 4.09Å; W1000-L1020 HydrophobicContact CZ3-CD1 3.98Å; L1001-L1020 HydrophobicContact CD1-CD1 4.24Å; L1004-L1020 HydrophobicContact CD1-CD2 4.16Å; V1016-L1020 PolarHBondContact O-N 3Å; Y1017-L1020 HydrophobicContact CD1-CD2 3.87Å; Y1017-L1020 HydrophobicContact CE1-CD2 4.16Å; Y1017-L1020 WeakPolarHBondContact O-CB 3.46Å; Y1017-L1020 PolarHBondContact O-N 3.16Å; L1020-L1023 PolarHBondContact O-N 3.02Å; L1020-I1024 HydrophobicContact CD1-CD1 4Å; L1020-I1024 HydrophobicContact CD1-CG1 4.44Å; L1020-I1024 HydrophobicContact CG-CD1 3.87Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.48Å; L1020-I1024 PolarHBondContact O-N 3.47Å; L1020-V1031 HydrophobicContact CD1-CG2 3.81Å; L1020-I1042 HydrophobicContact CD1-CG1 4.48Å; L1020-I1042 HydrophobicContact CD2-CG2 4.16Å
1021	C	96.4	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-43.2	176.4	-65.2	0	0	0	0	111.2	Y1017 G1018 Y1019 L1023 I1024 E1025 R1090 I1094	Y1017-C1021 PolarHBondContact O-N 3.33Å; Y1017-C1021 PolarHBondContact O-SG 3.41Å; G1018-C1021 PolarHBondContact O-N 3.08Å; Y1019-C1021 VanDerWaalsContact C-N 3.27Å; Y1019-C1021 PolarHBondContact O-N 3.44Å; C1021-L1023 VanDerWaalsContact C-N 3.28Å; C1021-L1023 PolarHBondContact O-N 3.48Å; C1021-I1024 PolarHBondContact O-N 2.88Å; C1021-E1025 VanDerWaalsContact O-CB 3.28Å; C1021-E1025 WeakPolarHBondContact O-CB 3.2Å; C1021-E1025 VanDerWaalsContact O-CG 3.22Å; C1021-E1025 WeakPolarHBondContact O-CG 3.28Å; C1021-E1025 PolarHBondContact O-N 2.84Å; C1021-R1090 HydrophobicContact CB-CB 3.97Å; C1021-R1090 VanDerWaalsContact SG-CB 3.59Å; C1021-I1094 HydrophobicContact CB-CD1 4Å
1022	D	96	Very high	94.5	Very high	51 Å²	51	33.1 Å²	33.1	27%	0.273	19%	0.187	S	C	.	.	H	α-helix	trans	-55.8	-43.5	176	-62.4	-24.3	0	0	0	111.3	K980 G1018 Y1019 A1026 R1090	K980-D1022 VanDerWaalsContact CE-OD2 3.23Å; K980-D1022 WeakPolarHBondContact CE-OD2 3.44Å; K980-D1022 IonicContact NZ-OD2 2.91Å; K980-D1022 PolarHBondContact NZ-OD2 3.43Å; G1018-D1022 PolarHBondContact O-N 3.06Å; G1018-D1022 VanDerWaalsContact O-N 3.08Å; Y1019-D1022 HydrophobicContact CD2-CB 4.33Å; Y1019-D1022 WeakPolarHBondContact O-CB 3.34Å; Y1019-D1022 PolarHBondContact O-N 2.88Å; Y1019-D1022 VanDerWaalsContact O-N 3.15Å; D1022-A1026 WeakPolarHBondContact O-CB 3.38Å; D1022-A1026 PolarHBondContact O-N 3.42Å; D1022-A1026 VanDerWaalsContact O-N 3.08Å; D1022-R1090 IonicContact OD1-CZ 2.59Å; D1022-R1090 VanDerWaalsContact OD1-CZ 3.27Å; D1022-R1090 IonicContact OD1-NH1 3.78Å; D1022-R1090 PolarHBondContact OD1-NH1 3.27Å; D1022-R1090 IonicContact OD1-NH2 2.63Å; D1022-R1090 PolarHBondContact OD1-NH2 3.23Å
1023	L	96.3	Very high	94.4	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-41.6	179.5	-67	174	0	0	0	112.8	I997 W1000 Y1019 L1020 C1021 N1027 N1028 V1031	I997-L1023 HydrophobicContact CD1-CD1 4.24Å; I997-L1023 HydrophobicContact CD1-CD2 3.98Å; I997-L1023 HydrophobicContact CG1-CD1 4.3Å; I997-L1023 HydrophobicContact CG2-CD1 4.29Å; W1000-L1023 HydrophobicContact CZ3-CD1 4.03Å; Y1019-L1023 HydrophobicContact CD1-CD1 4.01Å; Y1019-L1023 HydrophobicContact CD1-CG 4.44Å; Y1019-L1023 HydrophobicContact CE1-CD1 3.7Å; Y1019-L1023 HydrophobicContact CE1-CD2 4.42Å; Y1019-L1023 HydrophobicContact CE1-CG 4.15Å; Y1019-L1023 HydrophobicContact CE2-CD2 4.25Å; Y1019-L1023 HydrophobicContact CE2-CG 4.28Å; Y1019-L1023 WeakPolarHBondContact O-CG 3.49Å; Y1019-L1023 PolarHBondContact O-N 2.93Å; L1020-L1023 PolarHBondContact O-N 3.02Å; C1021-L1023 VanDerWaalsContact C-N 3.28Å; C1021-L1023 PolarHBondContact O-N 3.48Å; L1023-N1027 PolarHBondContact O-N 3.46Å; L1023-N1028 HydrophobicContact CB-CB 4.29Å; L1023-N1028 HydrophobicContact CD2-CB 4.33Å; L1023-N1028 VanDerWaalsContact O-CB 3.22Å; L1023-N1028 WeakPolarHBondContact O-CB 3.31Å; L1023-N1028 PolarHBondContact O-N 3.35Å; L1023-V1031 HydrophobicContact CB-CB 4.14Å; L1023-V1031 HydrophobicContact CB-CG1 3.83Å; L1023-V1031 HydrophobicContact CB-CG2 4.27Å; L1023-V1031 HydrophobicContact CD1-CB 4.43Å; L1023-V1031 HydrophobicContact CD1-CG2 4.22Å
1024	I	95	Very high	94.2	Very high	19 Å²	19	38.4 Å²	38.4	10%	0.097	22%	0.223	C	C	.	.	H	α-helix	trans	-69.9	-45.7	-179.8	-67.2	168.3	0	0	0	110.6	L1020 C1021 A1026 N1027 V1031 I1042 I1094	L1020-I1024 HydrophobicContact CD1-CD1 4Å; L1020-I1024 HydrophobicContact CD1-CG1 4.44Å; L1020-I1024 HydrophobicContact CG-CD1 3.87Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.48Å; L1020-I1024 PolarHBondContact O-N 3.47Å; C1021-I1024 PolarHBondContact O-N 2.88Å; I1024-A1026 PolarHBondContact O-N 3.36Å; I1024-N1027 WeakPolarHBondContact O-CA 3.29Å; I1024-N1027 PolarHBondContact O-N 3.18Å; I1024-V1031 HydrophobicContact CG1-CG1 4.03Å; I1024-I1042 HydrophobicContact CD1-CD1 4.24Å; I1024-I1042 HydrophobicContact CD1-CG2 3.92Å; I1024-I1094 HydrophobicContact CB-CD1 4.1Å; I1024-I1094 HydrophobicContact CD1-CD1 4.12Å; I1024-I1094 HydrophobicContact CD1-CG2 4.37Å; I1024-I1094 HydrophobicContact CG2-CD1 4Å; I1024-I1094 HydrophobicContact CG2-CG1 4.18Å; I1024-I1094 HydrophobicContact CG2-CG2 4.05Å
1025	E	94.2	Very high	94	Very high	106 Å²	106	43.5 Å²	43.5	50%	0.495	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-31.5	177.9	-70.1	169	-164.7	0	0	111.8	C1021 N1027 R1090	C1021-E1025 VanDerWaalsContact O-CB 3.28Å; C1021-E1025 WeakPolarHBondContact O-CB 3.2Å; C1021-E1025 VanDerWaalsContact O-CG 3.22Å; C1021-E1025 WeakPolarHBondContact O-CG 3.28Å; C1021-E1025 PolarHBondContact O-N 2.84Å; E1025-N1027 PolarHBondContact O-N 3.05Å; E1025-R1090 IonicContact OE1-CZ 3.44Å; E1025-R1090 IonicContact OE1-NE 3.79Å; E1025-R1090 PolarHBondContact OE1-NE 3.11Å; E1025-R1090 IonicContact OE1-NH2 2.68Å; E1025-R1090 PolarHBondContact OE1-NH2 3.26Å; E1025-R1090 VanDerWaalsContact OE1-NH2 3.11Å; E1025-R1090 IonicContact OE2-CZ 3.74Å; E1025-R1090 IonicContact OE2-NE 3.91Å; E1025-R1090 IonicContact OE2-NH2 3.21Å; E1025-R1090 PolarHBondContact OE2-NH2 3.11Å
1026	A	93.6	Very high	93.7	Very high	74 Å²	74	44.5 Å²	44.5	61%	0.612	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-0.1	172.1	0	0	0	0	0	114.1	D1022 I1024 N1028	D1022-A1026 WeakPolarHBondContact O-CB 3.38Å; D1022-A1026 PolarHBondContact O-N 3.42Å; D1022-A1026 VanDerWaalsContact O-N 3.08Å; I1024-A1026 PolarHBondContact O-N 3.36Å; A1026-N1028 PolarHBondContact O-N 3.38Å
1027	N	90.7	Very high	93.4	Very high	124 Å²	124	47.8 Å²	47.8	66%	0.663	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.3	-171.3	-70.8	-61	0	0	0	112.6	L1023 I1024 E1025 P1029	L1023-N1027 PolarHBondContact O-N 3.46Å; I1024-N1027 WeakPolarHBondContact O-CA 3.29Å; I1024-N1027 PolarHBondContact O-N 3.18Å; E1025-N1027 PolarHBondContact O-N 3.05Å; N1027-P1029 WeakPolarHBondContact O-CD 3.28Å; N1027-P1029 VanDerWaalsContact O-N 3.16Å
1028	N	92.9	Very high	93.2	Very high	32 Å²	32	49.8 Å²	49.8	17%	0.171	29%	0.293	C	S	.	.			trans	-62.9	118.8	179.5	-177.8	-58.2	0	0	0	109.6	L1023 A1026 V1030 V1031 I1032	L1023-N1028 HydrophobicContact CB-CB 4.29Å; L1023-N1028 HydrophobicContact CD2-CB 4.33Å; L1023-N1028 VanDerWaalsContact O-CB 3.22Å; L1023-N1028 WeakPolarHBondContact O-CB 3.31Å; L1023-N1028 PolarHBondContact O-N 3.35Å; A1026-N1028 PolarHBondContact O-N 3.38Å; N1028-V1030 PolarHBondContact O-N 2.88Å; N1028-V1030 WeakPolarHBondContact OD1-CA 3.49Å; N1028-V1030 VanDerWaalsContact OD1-CB 3.22Å; N1028-V1030 WeakPolarHBondContact OD1-CB 3.34Å; N1028-V1030 PolarHBondContact OD1-N 3.4Å; N1028-V1031 HydrophobicContact CB-CG1 3.99Å; N1028-V1031 WeakPolarHBondContact O-CG1 3.26Å; N1028-V1031 PolarHBondContact O-N 3.08Å; N1028-V1031 PolarHBondContact OD1-N 3.16Å; N1028-I1032 PolarHBondContact O-N 2.87Å
1029	P	91.8	Very high	93	Very high	100 Å²	100	50.1 Å²	50.1	65%	0.649	29%	0.293	S	S	*	.	H	α-helix	trans	-67.9	-22.4	-172.8	26.8	-34.5	0	0	0	112.8	N1027 G1033	N1027-P1029 WeakPolarHBondContact O-CD 3.28Å; N1027-P1029 VanDerWaalsContact O-N 3.16Å; P1029-G1033 WeakPolarHBondContact O-CA 3.49Å; P1029-G1033 PolarHBondContact O-N 2.77Å
1030	V	93.4	Very high	92.8	Very high	32 Å²	32	50.1 Å²	50.1	19%	0.194	30%	0.295	C	S	.	.	H	α-helix	trans	-76.5	-44.1	179.9	-174.6	0	0	0	0	110.7	D994 I997 V998 N1028 N1038	D994-V1030 HydrophobicContact CB-CG1 4.44Å; D994-V1030 HydrophobicContact CB-CG2 3.86Å; D994-V1030 WeakPolarHBondContact O-CG1 3.45Å; I997-V1030 HydrophobicContact CB-CG1 4.23Å; I997-V1030 HydrophobicContact CG2-CB 4.44Å; I997-V1030 HydrophobicContact CG2-CG1 4.02Å; V998-V1030 HydrophobicContact CG2-CG1 3.42Å; V998-V1030 VanDerWaalsContact CG2-CG1 3.42Å; N1028-V1030 PolarHBondContact O-N 2.88Å; N1028-V1030 WeakPolarHBondContact OD1-CA 3.49Å; N1028-V1030 VanDerWaalsContact OD1-CB 3.22Å; N1028-V1030 WeakPolarHBondContact OD1-CB 3.34Å; N1028-V1030 PolarHBondContact OD1-N 3.4Å; V1030-N1038 PolarHBondContact O-ND2 3.37Å
1031	V	94.2	Very high	92.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.8	-42.9	179.6	83.3	0	0	0	0	111.4	I997 L1001 L1020 L1023 I1024 N1028 N1038 I1042	I997-V1031 HydrophobicContact CG2-CB 4.2Å; I997-V1031 HydrophobicContact CG2-CG2 4.4Å; L1001-V1031 HydrophobicContact CD1-CG2 4.4Å; L1020-V1031 HydrophobicContact CD1-CG2 3.81Å; L1023-V1031 HydrophobicContact CB-CB 4.14Å; L1023-V1031 HydrophobicContact CB-CG1 3.83Å; L1023-V1031 HydrophobicContact CB-CG2 4.27Å; L1023-V1031 HydrophobicContact CD1-CB 4.43Å; L1023-V1031 HydrophobicContact CD1-CG2 4.22Å; I1024-V1031 HydrophobicContact CG1-CG1 4.03Å; N1028-V1031 HydrophobicContact CB-CG1 3.99Å; N1028-V1031 WeakPolarHBondContact O-CG1 3.26Å; N1028-V1031 PolarHBondContact O-N 3.08Å; N1028-V1031 PolarHBondContact OD1-N 3.16Å; V1031-N1038 WeakPolarHBondContact O-CB 3.46Å; V1031-N1038 PolarHBondContact O-ND2 2.99Å; V1031-N1038 VanDerWaalsContact O-ND2 3.08Å; V1031-I1042 HydrophobicContact CG2-CD1 4.42Å
1032	I	91.8	Very high	92.5	Very high	24 Å²	24	55.3 Å²	55.3	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-73.7	-31.7	-179	-63.2	173.4	0	0	0	111.2	N1028 N1036 S1037 N1038	N1028-I1032 PolarHBondContact O-N 2.87Å; I1032-N1036 HydrophobicContact CG2-CB 4.2Å; I1032-N1036 VanDerWaalsContact CG2-OD1 3.23Å; I1032-N1036 WeakPolarHBondContact CG2-OD1 3.49Å; I1032-N1036 CarbonylContact O-C 3.59Å; I1032-N1036 WeakPolarHBondContact O-CA 3.04Å; I1032-S1037 PolarHBondContact O-N 3.14Å; I1032-N1038 WeakPolarHBondContact O-CB 3.22Å; I1032-N1038 PolarHBondContact O-N 3.43Å; I1032-N1038 VanDerWaalsContact O-N 3.1Å
1033	G	91.8	Very high	92.4	Very high	8 Å²	8	53.1 Å²	53.1	8%	0.082	30%	0.303	C	S	.	.			trans	74.8	162.8	-176.7	0	0	0	0	0	113.1	P1029 D1035 N1036	P1029-G1033 WeakPolarHBondContact O-CA 3.49Å; P1029-G1033 PolarHBondContact O-N 2.77Å; G1033-D1035 PolarHBondContact O-N 3.4Å; G1033-N1036 PolarHBondContact O-N 3.46Å
1034	P	89.9	Confident	92.3	Very high	105 Å²	105	58.3 Å²	58.3	68%	0.682	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-58.7	135.6	175.3	24.2	-32	0	0	0	110.3	N1036 S1037	P1034-N1036 PolarHBondContact O-N 3.21Å; P1034-N1036 VanDerWaalsContact O-N 3.12Å; P1034-S1037 WeakPolarHBondContact CD-OG 3.13Å; P1034-S1037 WeakPolarHBondContact O-CB 3.27Å; P1034-S1037 PolarHBondContact O-N 3.42Å; P1034-S1037 PolarHBondContact O-OG 2.98Å
1035	D	87.9	Confident	92.2	Very high	161 Å²	161	57.6 Å²	57.6	86%	0.861	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	50.7	32.4	-177.2	-59.2	-42.9	0	0	0	114.3	G1033 S1037	G1033-D1035 PolarHBondContact O-N 3.4Å; D1035-S1037 PolarHBondContact O-N 2.94Å
1036	N	88.5	Confident	92.3	Very high	65 Å²	65	52.6 Å²	52.6	35%	0.348	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	62.2	25.7	-177.5	-45.8	-56.5	0	0	0	114.5	I1032 G1033 P1034 N1038 L1039 L1104	I1032-N1036 HydrophobicContact CG2-CB 4.2Å; I1032-N1036 VanDerWaalsContact CG2-OD1 3.23Å; I1032-N1036 WeakPolarHBondContact CG2-OD1 3.49Å; I1032-N1036 CarbonylContact O-C 3.59Å; I1032-N1036 WeakPolarHBondContact O-CA 3.04Å; G1033-N1036 PolarHBondContact O-N 3.46Å; P1034-N1036 PolarHBondContact O-N 3.21Å; P1034-N1036 VanDerWaalsContact O-N 3.12Å; N1036-N1038 PolarHBondContact O-N 3.38Å; N1036-N1038 VanDerWaalsContact O-N 3.11Å; N1036-L1039 HydrophobicContact CB-CD1 3.62Å; N1036-L1039 HydrophobicContact CB-CG 3.93Å; N1036-L1039 WeakPolarHBondContact O-CB 3.38Å; N1036-L1039 PolarHBondContact O-N 3.35Å; N1036-L1104 HydrophobicContact CB-CD2 4.13Å
1037	S	91.1	Very high	92.3	Very high	69 Å²	69	49 Å²	49	48%	0.483	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.2	-175.6	45.8	0	0	0	0	115.1	I1032 P1034 D1035 P1040	I1032-S1037 PolarHBondContact O-N 3.14Å; P1034-S1037 WeakPolarHBondContact CD-OG 3.13Å; P1034-S1037 WeakPolarHBondContact O-CB 3.27Å; P1034-S1037 PolarHBondContact O-N 3.42Å; P1034-S1037 PolarHBondContact O-OG 2.98Å; D1035-S1037 PolarHBondContact O-N 2.94Å; S1037-P1040 WeakPolarHBondContact O-CD 3.42Å
1038	N	93	Very high	92.4	Very high	42 Å²	42	45.7 Å²	45.7	23%	0.225	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.1	178	-69.4	-24.4	0	0	0	113.7	L1001 V1030 V1031 I1032 N1036 P1040 R1041 I1042	L1001-N1038 HydrophobicContact CD2-CB 3.84Å; V1030-N1038 PolarHBondContact O-ND2 3.37Å; V1031-N1038 WeakPolarHBondContact O-CB 3.46Å; V1031-N1038 PolarHBondContact O-ND2 2.99Å; V1031-N1038 VanDerWaalsContact O-ND2 3.08Å; I1032-N1038 WeakPolarHBondContact O-CB 3.22Å; I1032-N1038 PolarHBondContact O-N 3.43Å; I1032-N1038 VanDerWaalsContact O-N 3.1Å; N1036-N1038 PolarHBondContact O-N 3.38Å; N1036-N1038 VanDerWaalsContact O-N 3.11Å; N1038-P1040 VanDerWaalsContact C-CD 3.5Å; N1038-R1041 WeakPolarHBondContact O-CB 3.17Å; N1038-R1041 PolarHBondContact O-N 2.96Å; N1038-R1041 VanDerWaalsContact O-N 3.14Å; N1038-I1042 HydrophobicContact CB-CD1 4.34Å; N1038-I1042 WeakPolarHBondContact O-CG1 3.39Å; N1038-I1042 PolarHBondContact O-N 3.46Å
1039	L	91	Very high	92.4	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-56	-42.6	-179.7	-78	-174.9	0	0	0	113.7	N1036 R1041 I1042 V1043 I1098 L1104	N1036-L1039 HydrophobicContact CB-CD1 3.62Å; N1036-L1039 HydrophobicContact CB-CG 3.93Å; N1036-L1039 WeakPolarHBondContact O-CB 3.38Å; N1036-L1039 PolarHBondContact O-N 3.35Å; L1039-R1041 VanDerWaalsContact C-N 3.26Å; L1039-R1041 PolarHBondContact O-N 3.32Å; L1039-I1042 HydrophobicContact CD2-CD1 4.41Å; L1039-I1042 PolarHBondContact O-N 2.98Å; L1039-V1043 WeakPolarHBondContact O-CG2 3.36Å; L1039-V1043 PolarHBondContact O-N 2.94Å; L1039-I1098 HydrophobicContact CD1-CD1 4.46Å; L1039-I1098 HydrophobicContact CD1-CG1 4.38Å; L1039-I1098 HydrophobicContact CD2-CD1 3.95Å; L1039-L1104 HydrophobicContact CD1-CD1 4.22Å; L1039-L1104 HydrophobicContact CD1-CD2 4.29Å
1040	P	91.1	Very high	92.5	Very high	15 Å²	15	40.4 Å²	40.4	10%	0.097	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-39	178.4	-25.7	36.4	0	0	0	112.6	S1037 N1038 R1044 V1107	S1037-P1040 WeakPolarHBondContact O-CD 3.42Å; N1038-P1040 VanDerWaalsContact C-CD 3.5Å; P1040-R1044 WeakPolarHBondContact O-CB 3.22Å; P1040-R1044 PolarHBondContact O-N 3.3Å; P1040-V1107 HydrophobicContact CG-CG1 3.74Å
1041	R	93.1	Very high	92.3	Very high	110 Å²	110	40.8 Å²	40.8	42%	0.415	22%	0.216	S	C	.	.	H	α-helix	trans	-67.2	-44.8	176.6	-177.5	-179.2	-179.2	138.6	21.5	111.8	L1001 G1002 N1038 L1039 R1044 A1045	L1001-R1041 PolarHBondContact O-NE 3.39Å; L1001-R1041 PolarHBondContact O-NH2 3.04Å; L1001-R1041 VanDerWaalsContact O-NH2 3.1Å; G1002-R1041 VanDerWaalsContact CA-CZ 3.43Å; G1002-R1041 PolarHBondContact O-NH2 2.87Å; N1038-R1041 WeakPolarHBondContact O-CB 3.17Å; N1038-R1041 PolarHBondContact O-N 2.96Å; N1038-R1041 VanDerWaalsContact O-N 3.14Å; L1039-R1041 VanDerWaalsContact C-N 3.26Å; L1039-R1041 PolarHBondContact O-N 3.32Å; R1041-R1044 PolarHBondContact O-N 3.07Å; R1041-A1045 PolarHBondContact O-N 2.95Å
1042	I	94.6	Very high	91.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-48.3	177.2	-70.8	162.7	0	0	0	110.4	L1001 L1020 I1024 V1031 N1038 L1039 R1044 A1045 I1046	L1001-I1042 HydrophobicContact CD1-CD1 4.49Å; L1001-I1042 HydrophobicContact CD1-CG1 3.83Å; L1020-I1042 HydrophobicContact CD1-CG1 4.48Å; L1020-I1042 HydrophobicContact CD2-CG2 4.16Å; I1024-I1042 HydrophobicContact CD1-CD1 4.24Å; I1024-I1042 HydrophobicContact CD1-CG2 3.92Å; V1031-I1042 HydrophobicContact CG2-CD1 4.42Å; N1038-I1042 HydrophobicContact CB-CD1 4.34Å; N1038-I1042 WeakPolarHBondContact O-CG1 3.39Å; N1038-I1042 PolarHBondContact O-N 3.46Å; L1039-I1042 HydrophobicContact CD2-CD1 4.41Å; L1039-I1042 PolarHBondContact O-N 2.98Å; I1042-R1044 VanDerWaalsContact C-N 3.29Å; I1042-R1044 PolarHBondContact O-N 3.17Å; I1042-A1045 PolarHBondContact O-N 3.03Å; I1042-I1046 HydrophobicContact CG2-CD1 3.8Å; I1042-I1046 HydrophobicContact CG2-CG1 4.49Å; I1042-I1046 WeakPolarHBondContact O-CG1 3.11Å; I1042-I1046 PolarHBondContact O-N 3.28Å
1043	V	93.9	Very high	91.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-40.7	178.8	173.5	0	0	0	0	110.6	L1039 I1046 A1047 L1095 I1098 C1108 L1112 L1120	L1039-V1043 WeakPolarHBondContact O-CG2 3.36Å; L1039-V1043 PolarHBondContact O-N 2.94Å; V1043-I1046 PolarHBondContact O-N 3.27Å; V1043-A1047 WeakPolarHBondContact O-CB 3.34Å; V1043-A1047 PolarHBondContact O-N 2.73Å; V1043-L1095 HydrophobicContact CB-CD2 4.46Å; V1043-L1095 HydrophobicContact CG1-CD2 4.09Å; V1043-L1095 HydrophobicContact CG2-CD2 3.96Å; V1043-I1098 HydrophobicContact CG2-CD1 3.68Å; V1043-C1108 HydrophobicContact CB-CB 4.05Å; V1043-C1108 HydrophobicContact CG1-CB 4.03Å; V1043-C1108 HydrophobicContact CG2-CB 3.98Å; V1043-L1112 HydrophobicContact CG1-CD1 4.33Å; V1043-L1120 HydrophobicContact CG1-CD1 4.03Å
1044	R	93.9	Very high	91.2	Very high	121 Å²	121	45 Å²	45	46%	0.457	25%	0.25	S	C	.	.	H	α-helix	trans	-60.9	-47.2	174.6	-179.2	178.6	169.7	171.6	-0.1	112.4	P1040 R1041 I1042 A1047 E1048 L1112	P1040-R1044 WeakPolarHBondContact O-CB 3.22Å; P1040-R1044 PolarHBondContact O-N 3.3Å; R1041-R1044 PolarHBondContact O-N 3.07Å; I1042-R1044 VanDerWaalsContact C-N 3.29Å; I1042-R1044 PolarHBondContact O-N 3.17Å; R1044-A1047 PolarHBondContact O-N 3.23Å; R1044-E1048 IonicContact NE-OE2 3.73Å; R1044-E1048 WeakPolarHBondContact O-CB 3.28Å; R1044-E1048 PolarHBondContact O-N 2.59Å; R1044-L1112 HydrophobicContact CB-CD2 3.93Å; R1044-L1112 HydrophobicContact CG-CD2 4.17Å
1045	A	94.8	Very high	91	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-47	179	0	0	0	0	0	111.9	L1004 P1005 Y1017 R1041 I1042 A1047 E1048 S1049	L1004-A1045 HydrophobicContact CB-CB 3.91Å; P1005-A1045 HydrophobicContact CB-CB 4.21Å; Y1017-A1045 PolarHBondContact OH-O 2.96Å; R1041-A1045 PolarHBondContact O-N 2.95Å; I1042-A1045 PolarHBondContact O-N 3.03Å; A1045-A1047 VanDerWaalsContact C-N 3.34Å; A1045-A1047 PolarHBondContact O-N 3.3Å; A1045-E1048 PolarHBondContact O-N 3.09Å; A1045-S1049 WeakPolarHBondContact O-CB 3.39Å; A1045-S1049 PolarHBondContact O-N 2.93Å
1046	I	95.4	Very high	90.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-45.8	175.7	-65.2	169.2	0	0	0	110.6	Y1017 I1042 V1043 E1048 S1049 M1050 L1055 C1091 L1095	Y1017-I1046 HydrophobicContact CD1-CG1 4.04Å; Y1017-I1046 HydrophobicContact CE1-CB 4.49Å; Y1017-I1046 HydrophobicContact CE1-CG1 3.78Å; I1042-I1046 HydrophobicContact CG2-CD1 3.8Å; I1042-I1046 HydrophobicContact CG2-CG1 4.49Å; I1042-I1046 WeakPolarHBondContact O-CG1 3.11Å; I1042-I1046 PolarHBondContact O-N 3.28Å; V1043-I1046 PolarHBondContact O-N 3.27Å; I1046-E1048 VanDerWaalsContact C-N 3.34Å; I1046-E1048 PolarHBondContact O-N 3.16Å; I1046-S1049 PolarHBondContact O-N 3.11Å; I1046-M1050 HydrophobicContact CG2-CE 3.62Å; I1046-M1050 HydrophobicContact CG2-CG 4.3Å; I1046-M1050 HydrophobicContact CG2-SD 3.84Å; I1046-M1050 WeakPolarHBondContact O-CB 3.49Å; I1046-M1050 VanDerWaalsContact O-CG 3.25Å; I1046-M1050 WeakPolarHBondContact O-CG 3.18Å; I1046-M1050 PolarHBondContact O-N 3.08Å; I1046-L1055 HydrophobicContact CG2-CD2 4.2Å; I1046-C1091 HydrophobicContact CD1-CB 4.23Å; I1046-C1091 HydrophobicContact CG2-CB 4.02Å; I1046-L1095 HydrophobicContact CG2-CD1 3.78Å; I1046-L1095 HydrophobicContact CG2-CG 4.47Å
1047	A	93.6	Very high	90.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-39	-179.1	0	0	0	0	0	112.5	V1043 R1044 A1045 S1051 L1112 Q1116 L1120	V1043-A1047 WeakPolarHBondContact O-CB 3.34Å; V1043-A1047 PolarHBondContact O-N 2.73Å; R1044-A1047 PolarHBondContact O-N 3.23Å; A1045-A1047 VanDerWaalsContact C-N 3.34Å; A1045-A1047 PolarHBondContact O-N 3.3Å; A1047-S1051 VanDerWaalsContact O-CB 3.31Å; A1047-S1051 WeakPolarHBondContact O-CB 3.27Å; A1047-S1051 PolarHBondContact O-N 2.69Å; A1047-S1051 PolarHBondContact O-OG 3.3Å; A1047-L1112 HydrophobicContact CB-CD1 4.18Å; A1047-L1112 HydrophobicContact CB-CD2 3.98Å; A1047-Q1116 HydrophobicContact CB-CB 3.88Å; A1047-Q1116 HydrophobicContact CB-CG 4.2Å; A1047-L1120 HydrophobicContact CB-CD1 3.54Å; A1047-L1120 HydrophobicContact CB-CG 4.24Å
1048	E	93	Very high	88.5	Confident	54 Å²	54	31.6 Å²	31.6	25%	0.252	17%	0.17	S	C	.	.	H	α-helix	trans	-65.8	-50.3	178	-162.3	160.1	155.8	0	0	110.5	P1005 R1044 A1045 I1046 M1050 S1051 T1052 Q1116	P1005-E1048 HydrophobicContact CB-CB 4.32Å; P1005-E1048 HydrophobicContact CG-CB 4.09Å; P1005-E1048 HydrophobicContact CG-CG 3.95Å; R1044-E1048 IonicContact NE-OE2 3.73Å; R1044-E1048 WeakPolarHBondContact O-CB 3.28Å; R1044-E1048 PolarHBondContact O-N 2.59Å; A1045-E1048 PolarHBondContact O-N 3.09Å; I1046-E1048 VanDerWaalsContact C-N 3.34Å; I1046-E1048 PolarHBondContact O-N 3.16Å; E1048-M1050 VanDerWaalsContact C-N 3.34Å; E1048-M1050 PolarHBondContact O-N 3.06Å; E1048-S1051 WeakPolarHBondContact CA-OG 3.45Å; E1048-S1051 PolarHBondContact O-N 3.23Å; E1048-S1051 PolarHBondContact O-OG 3.11Å; E1048-T1052 PolarHBondContact O-N 2.97Å; E1048-T1052 PolarHBondContact O-OG1 2.83Å; E1048-Q1116 PolarHBondContact OE2-NE2 3.06Å
1049	S	93	Very high	86.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-34.5	177.4	-167	0	0	0	0	113.1	I1006 Y1017 A1045 I1046 T1052 G1053 G1054 L1055	I1006-S1049 PolarHBondContact O-OG 3.25Å; Y1017-S1049 WeakPolarHBondContact OH-CB 3.38Å; A1045-S1049 WeakPolarHBondContact O-CB 3.39Å; A1045-S1049 PolarHBondContact O-N 2.93Å; I1046-S1049 PolarHBondContact O-N 3.11Å; S1049-T1052 PolarHBondContact O-OG1 3.04Å; S1049-G1053 CarbonylContact O-C 3.52Å; S1049-G1053 PolarHBondContact O-N 3.43Å; S1049-G1054 PolarHBondContact O-N 2.8Å; S1049-L1055 PolarHBondContact O-N 3.03Å; S1049-L1055 WeakPolarHBondContact OG-CB 3.5Å; S1049-L1055 PolarHBondContact OG-N 3.1Å
1050	M	92.6	Very high	84	Confident	20 Å²	20	35.9 Å²	35.9	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-36.2	171	-74	179	173.2	0	0	112.4	I1046 E1048 L1055 Y1088 C1091 V1092 L1095 A1119 A1123	I1046-M1050 HydrophobicContact CG2-CE 3.62Å; I1046-M1050 HydrophobicContact CG2-CG 4.3Å; I1046-M1050 HydrophobicContact CG2-SD 3.84Å; I1046-M1050 WeakPolarHBondContact O-CB 3.49Å; I1046-M1050 VanDerWaalsContact O-CG 3.25Å; I1046-M1050 WeakPolarHBondContact O-CG 3.18Å; I1046-M1050 PolarHBondContact O-N 3.08Å; E1048-M1050 VanDerWaalsContact C-N 3.34Å; E1048-M1050 PolarHBondContact O-N 3.06Å; M1050-L1055 HydrophobicContact CE-CD2 3.91Å; M1050-L1055 HydrophobicContact CG-CB 4.28Å; M1050-L1055 HydrophobicContact CG-CD2 4.12Å; M1050-Y1088 HydrophobicContact CE-CD2 3.78Å; M1050-Y1088 HydrophobicContact CE-CE2 3.66Å; M1050-Y1088 HydrophobicContact CG-CD2 4.42Å; M1050-Y1088 HydrophobicContact CG-CE2 4.18Å; M1050-Y1088 HydrophobicContact SD-CE2 4.23Å; M1050-C1091 HydrophobicContact CE-CB 4.17Å; M1050-V1092 HydrophobicContact CE-CG2 3.82Å; M1050-L1095 HydrophobicContact CE-CD1 4Å; M1050-L1095 HydrophobicContact SD-CD1 4.29Å; M1050-A1119 HydrophobicContact CB-CB 4.15Å; M1050-A1123 HydrophobicContact CE-CB 4.22Å; M1050-A1123 HydrophobicContact SD-CB 3.83Å
1051	S	89.5	Confident	81.5	Confident	41 Å²	41	40.5 Å²	40.5	29%	0.287	22%	0.216	S	C	.	.	H	α-helix	trans	-73.3	-32.6	-179	65.4	0	0	0	0	113.3	A1047 E1048	A1047-S1051 VanDerWaalsContact O-CB 3.31Å; A1047-S1051 WeakPolarHBondContact O-CB 3.27Å; A1047-S1051 PolarHBondContact O-N 2.69Å; A1047-S1051 PolarHBondContact O-OG 3.3Å; E1048-S1051 WeakPolarHBondContact CA-OG 3.45Å; E1048-S1051 PolarHBondContact O-N 3.23Å; E1048-S1051 PolarHBondContact O-OG 3.11Å
1052	T	86.4	Confident	78.9	Confident	82 Å²	82	43.3 Å²	43.3	50%	0.503	23%	0.234	S	C	.	.	H	α-helix	trans	-87.3	-7.1	176.8	53.4	0	0	0	0	112.9	C1007 E1048 S1049 G1054	C1007-T1052 WeakPolarHBondContact CB-OG1 3.48Å; E1048-T1052 PolarHBondContact O-N 2.97Å; E1048-T1052 PolarHBondContact O-OG1 2.83Å; S1049-T1052 PolarHBondContact O-OG1 3.04Å; T1052-G1054 VanDerWaalsContact C-N 3.33Å
1053	G	83.5	Confident	76.1	Confident	34 Å²	34	45.2 Å²	45.2	35%	0.351	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-4.9	178.7	0	0	0	0	0	114.8	S1049 L1055 S1056	S1049-G1053 CarbonylContact O-C 3.52Å; S1049-G1053 PolarHBondContact O-N 3.43Å; G1053-L1055 VanDerWaalsContact C-N 3.28Å; G1053-L1055 PolarHBondContact O-N 3.3Å; G1053-S1056 PolarHBondContact O-OG 3.35Å
1054	G	84.6	Confident	73.3	Confident	5 Å²	5	50.2 Å²	50.2	5%	0.052	26%	0.262	C	S	.	.	S	Bend	trans	-57.2	-39.8	175.9	0	0	0	0	0	113	C1007 T1013 S1049 T1052	C1007-G1054 WeakPolarHBondContact O-CA 3.37Å; T1013-G1054 WeakPolarHBondContact CG2-O 3.33Å; S1049-G1054 PolarHBondContact O-N 2.8Å; T1052-G1054 VanDerWaalsContact C-N 3.33Å
1055	L	87.6	Confident	70.4	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	27%	0.267	C	S	.	.	S	Bend	trans	-110.3	93.9	173	-163.5	81.7	0	0	0	110.1	T1013 Y1017 I1046 S1049 M1050 G1053 A1087 Y1088 C1091	T1013-L1055 HydrophobicContact CG2-CB 4.25Å; T1013-L1055 HydrophobicContact CG2-CD1 3.93Å; Y1017-L1055 HydrophobicContact CD2-CD1 4.16Å; Y1017-L1055 HydrophobicContact CG-CD1 4.04Å; I1046-L1055 HydrophobicContact CG2-CD2 4.2Å; S1049-L1055 PolarHBondContact O-N 3.03Å; S1049-L1055 WeakPolarHBondContact OG-CB 3.5Å; S1049-L1055 PolarHBondContact OG-N 3.1Å; M1050-L1055 HydrophobicContact CE-CD2 3.91Å; M1050-L1055 HydrophobicContact CG-CB 4.28Å; M1050-L1055 HydrophobicContact CG-CD2 4.12Å; G1053-L1055 VanDerWaalsContact C-N 3.28Å; G1053-L1055 PolarHBondContact O-N 3.3Å; L1055-A1087 HydrophobicContact CD1-CB 4.14Å; L1055-Y1088 HydrophobicContact CD2-CD2 4.39Å; L1055-Y1088 HydrophobicContact CG-CD2 4.15Å; L1055-Y1088 WeakPolarHBondContact O-CD2 3.21Å; L1055-C1091 HydrophobicContact CD2-CB 3.87Å
1056	S	81.9	Confident	67.4	Low	30 Å²	30	54.9 Å²	54.9	21%	0.21	30%	0.295	C	S	.	.			trans	-120.9	161.9	-176.2	56	0	0	0	0	112.5	G1053 T1058 N1063 Y1088	G1053-S1056 PolarHBondContact O-OG 3.35Å; S1056-T1058 PolarHBondContact O-N 3.12Å; S1056-N1063 WeakPolarHBondContact CB-ND2 3.44Å; S1056-N1063 PolarHBondContact OG-ND2 3.2Å; S1056-N1063 VanDerWaalsContact OG-ND2 3.17Å; S1056-Y1088 VanDerWaalsContact O-CB 3.32Å; S1056-Y1088 WeakPolarHBondContact O-CB 3.34Å
1057	D	74.6	Confident	64.2	Low	51 Å²	51	55.9 Å²	55.9	27%	0.273	30%	0.301	S	S	.	.			trans	-69.4	115.4	174.5	-161.4	-18	0	0	0	109	N1059 T1060 N1063 Y1088	D1057-N1059 PolarHBondContact O-N 3.35Å; D1057-N1059 WeakPolarHBondContact OD1-CB 3.49Å; D1057-N1059 PolarHBondContact OD1-N 2.9Å; D1057-N1059 VanDerWaalsContact OD1-N 3.1Å; D1057-T1060 PolarHBondContact O-N 3.43Å; D1057-T1060 PolarHBondContact O-OG1 3.05Å; D1057-N1063 PolarHBondContact O-ND2 3.21Å; D1057-Y1088 HydrophobicContact CB-CD1 3.84Å; D1057-Y1088 HydrophobicContact CB-CE1 3.61Å
1058	T	58.5	Low	61.3	Low	33 Å²	33	60.3 Å²	60.3	20%	0.202	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.1	180	57.3	0	0	0	0	112.5	S1056 R1064 L1067	S1056-T1058 PolarHBondContact O-N 3.12Å; T1058-R1064 WeakPolarHBondContact O-CG 3.41Å; T1058-L1067 HydrophobicContact CG2-CD1 3.56Å
1059	N	44.5	Very low	58.3	Low	75 Å²	75	61 Å²	61	40%	0.401	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.5	175.9	-81.8	-38.8	0	0	0	115.1	D1057 R1064 Q1089	D1057-N1059 PolarHBondContact O-N 3.35Å; D1057-N1059 WeakPolarHBondContact OD1-CB 3.49Å; D1057-N1059 PolarHBondContact OD1-N 2.9Å; D1057-N1059 VanDerWaalsContact OD1-N 3.1Å; N1059-R1064 PolarHBondContact OD1-NH2 3.02Å; N1059-Q1089 PolarHBondContact ND2-NE2 3.32Å
1060	T	44.7	Very low	55.4	Low	70 Å²	70	62.6 Å²	62.6	43%	0.429	34%	0.339	S	S	.	.	S	Bend	trans	-78.4	133.4	168.3	45.8	0	0	0	0	110.1	D1057 E1062 N1063	D1057-T1060 PolarHBondContact O-N 3.43Å; D1057-T1060 PolarHBondContact O-OG1 3.05Å; T1060-E1062 PolarHBondContact O-N 2.83Å; T1060-N1063 PolarHBondContact O-N 3.23Å; T1060-N1063 PolarHBondContact OG1-ND2 3.32Å
1061	E	38.4	Very low	52.3	Low	111 Å²	111	66.3 Å²	66.3	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-53.7	-29	-171.6	-80.2	-170.7	119	0	0	114.5	R616 K692	R616-E1061 IonicContact CZ-OE1 2.79Å; R616-E1061 IonicContact NE-OE1 3.08Å; K692-E1061 IonicContact NZ-OE1 3.44Å; K692-E1061 PolarHBondContact NZ-OE1 2.87Å
1062	E	38.1	Very low	49.4	Very low	170 Å²	170	71.6 Å²	71.6	79%	0.794	38%	0.38	S	S	*	.	H	α-helix	trans	-69.7	-26.1	177.9	-78.1	179.1	150.5	0	0	114.3	T1060 S1065	T1060-E1062 PolarHBondContact O-N 2.83Å; E1062-S1065 PolarHBondContact O-OG 2.92Å
1063	N	36.7	Very low	46.7	Very low	39 Å²	39	69 Å²	69	21%	0.209	37%	0.367	C	S	.	.	H	α-helix	trans	-95.5	-14.2	-176.3	-73.4	-30.6	0	0	0	113.5	S1056 D1057 T1060 S1065 K1066	S1056-N1063 WeakPolarHBondContact CB-ND2 3.44Å; S1056-N1063 PolarHBondContact OG-ND2 3.2Å; S1056-N1063 VanDerWaalsContact OG-ND2 3.17Å; D1057-N1063 PolarHBondContact O-ND2 3.21Å; T1060-N1063 PolarHBondContact O-N 3.23Å; T1060-N1063 PolarHBondContact OG1-ND2 3.32Å; N1063-S1065 PolarHBondContact O-N 2.94Å; N1063-K1066 PolarHBondContact O-N 3.03Å
1064	R	34.9	Very low	43.9	Very low	109 Å²	109	69.9 Å²	69.9	41%	0.411	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-37.4	178	-79.8	-170.2	-176.8	176.4	-0.4	112.2	T1058 N1059 K1066 L1067 E1068	T1058-R1064 WeakPolarHBondContact O-CG 3.41Å; N1059-R1064 PolarHBondContact OD1-NH2 3.02Å; R1064-K1066 VanDerWaalsContact C-N 3.29Å; R1064-K1066 PolarHBondContact O-N 3.12Å; R1064-L1067 PolarHBondContact O-N 3.03Å; R1064-E1068 HydrophobicContact CB-CG 4.43Å; R1064-E1068 WeakPolarHBondContact O-CB 3.2Å; R1064-E1068 WeakPolarHBondContact O-CG 3.48Å; R1064-E1068 PolarHBondContact O-N 3.32Å
1065	S	32.3	Very low	41.1	Very low	81 Å²	81	73.7 Å²	73.7	57%	0.566	42%	0.415	S	S	*	.	H	α-helix	trans	-64.6	-30	179.4	58.5	0	0	0	0	113.8	E1062 N1063	E1062-S1065 PolarHBondContact O-OG 2.92Å; N1063-S1065 PolarHBondContact O-N 2.94Å
1066	K	30.8	Very low	38.1	Very low	142 Å²	142	82.5 Å²	82.5	62%	0.617	45%	0.453	S	S	*	.	H	α-helix	trans	-80.4	-19	177.9	-69.5	-172.6	176.4	-174.4	0	114	N1063 R1064	N1063-K1066 PolarHBondContact O-N 3.03Å; R1064-K1066 VanDerWaalsContact C-N 3.29Å; R1064-K1066 PolarHBondContact O-N 3.12Å
1067	L	28.9	Very low	35.3	Very low	22 Å²	22	87.8 Å²	87.8	12%	0.115	48%	0.479	C	S	.	.	H	α-helix	trans	-109.6	-20.6	-178.5	-94.9	132.9	0	0	0	113.4	T1058 R1064 T1069 V1070 N1071	T1058-L1067 HydrophobicContact CG2-CD1 3.56Å; R1064-L1067 PolarHBondContact O-N 3.03Å; L1067-T1069 PolarHBondContact O-N 2.72Å; L1067-V1070 PolarHBondContact O-N 3.07Å; L1067-V1070 VanDerWaalsContact O-N 3.09Å; L1067-N1071 WeakPolarHBondContact CD2-ND2 3.49Å; L1067-N1071 PolarHBondContact O-N 3.48Å
1068	E	32.8	Very low	33	Very low	94 Å²	94	94.4 Å²	94.4	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-66.9	-24.5	179.6	-83.3	174.6	173.8	0	0	112.7	R1064 V1070	R1064-E1068 HydrophobicContact CB-CG 4.43Å; R1064-E1068 WeakPolarHBondContact O-CB 3.2Å; R1064-E1068 WeakPolarHBondContact O-CG 3.48Å; R1064-E1068 PolarHBondContact O-N 3.32Å; E1068-V1070 PolarHBondContact O-N 3.14Å
1069	T	31.2	Very low	31.3	Very low	68 Å²	68	100.2 Å²	100.2	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-66.3	-16.6	170.7	-0.7	0	0	0	0	113.8	H846 L1067	H846-T1069 PolarHBondContact NE2-O 2.97Å; L1067-T1069 PolarHBondContact O-N 2.72Å
1070	V	30.3	Very low	30.4	Very low	33 Å²	33	104.8 Å²	104.8	20%	0.2	56%	0.558	C	S	.	*	H	α-helix	trans	-122.4	-29.5	-177.7	-177.5	0	0	0	0	113.2	V1011 L1067 E1068 A1073	V1011-V1070 HydrophobicContact CG1-CG1 4Å; V1011-V1070 HydrophobicContact CG1-CG2 4.49Å; V1011-V1070 HydrophobicContact CG2-CG2 4.16Å; L1067-V1070 PolarHBondContact O-N 3.07Å; L1067-V1070 VanDerWaalsContact O-N 3.09Å; E1068-V1070 PolarHBondContact O-N 3.14Å; V1070-A1073 WeakPolarHBondContact O-CB 3.43Å
1071	N	27.9	Very low	29.5	Very low	99 Å²	99	105 Å²	105	53%	0.529	57%	0.574	S	S	.	*	H	α-helix	trans	-101.6	-4.3	-168.8	-86.3	-32.9	0	0	0	116.8	L1067	L1067-N1071 WeakPolarHBondContact CD2-ND2 3.49Å; L1067-N1071 PolarHBondContact O-N 3.48Å
1072	Q	28.8	Very low	29.3	Very low	152 Å²	152	108.4 Å²	108.4	71%	0.71	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-5.2	165.3	-65.9	-164.3	21.1	0	0	113.2	G1074	Q1072-G1074 VanDerWaalsContact C-N 3.25Å; Q1072-G1074 PolarHBondContact O-N 3.38Å
1073	A	30.4	Very low	30.1	Very low	28 Å²	28	108.5 Å²	108.5	23%	0.231	60%	0.595	C	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-6.3	176.4	0	0	0	0	0	115.5	F893 V1070 G1075	F893-A1073 HydrophobicContact CD1-CB 4.5Å; F893-A1073 HydrophobicContact CE1-CB 3.43Å; F893-A1073 VanDerWaalsContact CE1-CB 3.43Å; F893-A1073 HydrophobicContact CZ-CB 3.9Å; V1070-A1073 WeakPolarHBondContact O-CB 3.43Å; A1073-G1075 PolarHBondContact O-N 3.33Å
1074	G	25.1	Very low	31.5	Very low	51 Å²	51	115.9 Å²	115.9	53%	0.526	63%	0.625	S	S	.	*			trans	-88.3	95.1	175.7	0	0	0	0	0	110.8	Q1072 F1076	Q1072-G1074 VanDerWaalsContact C-N 3.25Å; Q1072-G1074 PolarHBondContact O-N 3.38Å; G1074-F1076 PolarHBondContact O-N 3.01Å
1075	G	23.9	Very low	33.7	Very low	86 Å²	86	114 Å²	114	89%	0.887	63%	0.627	S	S	*	*			trans	-61.9	64.7	164.9	0	0	0	0	0	112.6	A1073 N1077	A1073-G1075 PolarHBondContact O-N 3.33Å; G1075-N1077 PolarHBondContact O-N 2.92Å
1076	F	25	Very low	36.4	Very low	188 Å²	188	110.7 Å²	110.7	83%	0.825	60%	0.604	S	S	*	*			trans	-73.4	113.2	152.5	-94.9	-85.5	0	0	0	106	G1074 Q1078	G1074-F1076 PolarHBondContact O-N 3.01Å; F1076-Q1078 VanDerWaalsContact C-N 3.34Å; F1076-Q1078 PolarHBondContact O-N 2.94Å
1077	N	23.6	Very low	39.2	Very low	141 Å²	141	104 Å²	104	75%	0.754	58%	0.575	S	S	*	*			trans	-42.1	106.5	154.8	-87	-39.7	0	0	0	107.9	G1075 Q1079	G1075-N1077 PolarHBondContact O-N 2.92Å; N1077-Q1079 PolarHBondContact O-N 3.33Å
1078	Q	26	Very low	42.2	Very low	190 Å²	190	104.4 Å²	104.4	89%	0.888	58%	0.575	S	S	*	*			trans	-68.4	69.1	161.8	-77.2	-173.2	1.9	0	0	107.7	F1076	F1076-Q1078 VanDerWaalsContact C-N 3.34Å; F1076-Q1078 PolarHBondContact O-N 2.94Å
1079	Q	22.4	Very low	45	Very low	156 Å²	156	103.1 Å²	103.1	73%	0.729	57%	0.569	S	S	*	*	S	Bend	trans	-122.5	91	158.9	-76.4	-169.7	-7.4	0	0	105.7	N1077	N1077-Q1079 PolarHBondContact O-N 3.33Å
1080	N	25.8	Very low	48.1	Very low	171 Å²	171	101.5 Å²	101.5	91%	0.914	56%	0.556	S	S	*	*	S	Bend	trans	64.6	97.8	166.4	-54.7	-34.8	0	0	0	116.7
1081	G	26.4	Very low	51.1	Low	75 Å²	75	100 Å²	100	77%	0.773	55%	0.546	S	S	*	.			trans	170.6	132.2	162.7	0	0	0	0	0	113.1
1082	L	34.2	Very low	54.2	Low	181 Å²	181	95.6 Å²	95.6	95%	0.948	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-50.9	135.5	176.6	-72.5	128.8	0	0	0	112	K1084	L1082-K1084 PolarHBondContact O-N 3.44Å
1083	E	54	Low	57.2	Low	172 Å²	172	91.8 Å²	91.8	80%	0.804	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-52.2	134.1	172	-78.9	177.3	163.9	0	0	110.4
1084	K	68	Low	60.1	Low	195 Å²	195	91.2 Å²	91.2	85%	0.848	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-63.5	132.7	172.5	-102.3	-177.2	174.7	-178	0	108.4	L1082	L1082-K1084 PolarHBondContact O-N 3.44Å
1085	P	80.8	Confident	63.2	Low	68 Å²	68	89.1 Å²	89.1	44%	0.442	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.4	177.1	23.1	-30.4	0	0	0	110.7	Q1089 R1090	P1085-Q1089 VanDerWaalsContact CA-OE1 3.32Å; P1085-Q1089 HydrophobicContact CB-CB 4.08Å; P1085-R1090 HydrophobicContact CB-CG 4.03Å; P1085-R1090 HydrophobicContact CG-CG 3.9Å; P1085-R1090 WeakPolarHBondContact O-CD 3.37Å
1086	S	87.7	Confident	66.4	Low	12 Å²	12	89.6 Å²	89.6	8%	0.084	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-63.1	161.5	177.9	63.8	0	0	0	0	111.9	E1014 Y1088 Q1089 R1090	E1014-S1086 WeakPolarHBondContact OE1-CA 3.43Å; S1086-Y1088 PolarHBondContact O-N 3.08Å; S1086-Q1089 PolarHBondContact O-N 3.36Å; S1086-Q1089 VanDerWaalsContact O-N 3.09Å; S1086-Q1089 WeakPolarHBondContact OG-CG 3.18Å; S1086-Q1089 PolarHBondContact OG-N 2.95Å; S1086-R1090 WeakPolarHBondContact O-CG 3.48Å; S1086-R1090 PolarHBondContact O-N 3.46Å
1087	A	91.1	Very high	69.4	Low	1 Å²	1	87.5 Å²	87.5	1%	0.008	45%	0.45	C	S	.	.	H	α-helix	trans	-57.3	-36.8	176.2	0	0	0	0	0	111.3	E1014 L1055 R1090 C1091	E1014-A1087 PolarHBondContact OE1-N 3.32Å; E1014-A1087 WeakPolarHBondContact OE2-CB 3.36Å; E1014-A1087 PolarHBondContact OE2-N 2.87Å; E1014-A1087 VanDerWaalsContact OE2-N 3.17Å; L1055-A1087 HydrophobicContact CD1-CB 4.14Å; A1087-R1090 PolarHBondContact O-N 3.48Å; A1087-C1091 VanDerWaalsContact O-CB 3.29Å; A1087-C1091 WeakPolarHBondContact O-CB 3.48Å; A1087-C1091 PolarHBondContact O-N 3.4Å; A1087-C1091 PolarHBondContact O-SG 3.44Å
1088	Y	91.9	Very high	72.4	Confident	31 Å²	31	81.6 Å²	81.6	12%	0.122	42%	0.418	C	S	.	.	H	α-helix	trans	-56.9	-53.3	172.1	177	-96.1	0	0	0	112	M1050 L1055 S1056 D1057 S1086 R1090 C1091 V1092 A1123	M1050-Y1088 HydrophobicContact CE-CD2 3.78Å; M1050-Y1088 HydrophobicContact CE-CE2 3.66Å; M1050-Y1088 HydrophobicContact CG-CD2 4.42Å; M1050-Y1088 HydrophobicContact CG-CE2 4.18Å; M1050-Y1088 HydrophobicContact SD-CE2 4.23Å; L1055-Y1088 HydrophobicContact CD2-CD2 4.39Å; L1055-Y1088 HydrophobicContact CG-CD2 4.15Å; L1055-Y1088 WeakPolarHBondContact O-CD2 3.21Å; S1056-Y1088 VanDerWaalsContact O-CB 3.32Å; S1056-Y1088 WeakPolarHBondContact O-CB 3.34Å; D1057-Y1088 HydrophobicContact CB-CD1 3.84Å; D1057-Y1088 HydrophobicContact CB-CE1 3.61Å; S1086-Y1088 PolarHBondContact O-N 3.08Å; Y1088-R1090 VanDerWaalsContact C-N 3.31Å; Y1088-R1090 PolarHBondContact O-N 3.17Å; Y1088-C1091 WeakPolarHBondContact O-CB 3.19Å; Y1088-C1091 PolarHBondContact O-N 3.11Å; Y1088-V1092 HydrophobicContact CD1-CG2 4.3Å; Y1088-V1092 HydrophobicContact CE1-CG2 3.92Å; Y1088-V1092 HydrophobicContact CE2-CG2 4.3Å; Y1088-V1092 WeakPolarHBondContact O-CG2 3.49Å; Y1088-V1092 PolarHBondContact O-N 3.04Å; Y1088-A1123 HydrophobicContact CE2-CB 4.38Å; Y1088-A1123 WeakPolarHBondContact OH-CA 3.47Å; Y1088-A1123 WeakPolarHBondContact OH-CB 3.31Å
1089	Q	91.5	Very high	75.2	Confident	67 Å²	67	77.8 Å²	77.8	31%	0.313	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-37.4	-179.1	-70.5	174.4	-12.5	0	0	112.6	N1059 P1085 S1086 S1093	N1059-Q1089 PolarHBondContact ND2-NE2 3.32Å; P1085-Q1089 VanDerWaalsContact CA-OE1 3.32Å; P1085-Q1089 HydrophobicContact CB-CB 4.08Å; S1086-Q1089 PolarHBondContact O-N 3.36Å; S1086-Q1089 VanDerWaalsContact O-N 3.09Å; S1086-Q1089 WeakPolarHBondContact OG-CG 3.18Å; S1086-Q1089 PolarHBondContact OG-N 2.95Å; Q1089-S1093 PolarHBondContact O-N 2.79Å; Q1089-S1093 PolarHBondContact O-OG 3.43Å
1090	R	94.7	Very high	78.2	Confident	35 Å²	35	74.9 Å²	74.9	13%	0.132	40%	0.398	C	S	.	.	H	α-helix	trans	-67.7	-43.2	175.3	-66.7	176.1	69.7	-165.6	5.9	111.2	G1018 C1021 D1022 E1025 P1085 S1086 A1087 Y1088 V1092 S1093 I1094	G1018-R1090 PolarHBondContact O-NH1 3.39Å; G1018-R1090 VanDerWaalsContact O-NH1 3.12Å; C1021-R1090 HydrophobicContact CB-CB 3.97Å; C1021-R1090 VanDerWaalsContact SG-CB 3.59Å; D1022-R1090 IonicContact OD1-CZ 2.59Å; D1022-R1090 VanDerWaalsContact OD1-CZ 3.27Å; D1022-R1090 IonicContact OD1-NH1 3.78Å; D1022-R1090 PolarHBondContact OD1-NH1 3.27Å; D1022-R1090 IonicContact OD1-NH2 2.63Å; D1022-R1090 PolarHBondContact OD1-NH2 3.23Å; E1025-R1090 IonicContact OE1-CZ 3.44Å; E1025-R1090 IonicContact OE1-NE 3.79Å; E1025-R1090 PolarHBondContact OE1-NE 3.11Å; E1025-R1090 IonicContact OE1-NH2 2.68Å; E1025-R1090 PolarHBondContact OE1-NH2 3.26Å; E1025-R1090 VanDerWaalsContact OE1-NH2 3.11Å; E1025-R1090 IonicContact OE2-CZ 3.74Å; E1025-R1090 IonicContact OE2-NE 3.91Å; E1025-R1090 IonicContact OE2-NH2 3.21Å; E1025-R1090 PolarHBondContact OE2-NH2 3.11Å; P1085-R1090 HydrophobicContact CB-CG 4.03Å; P1085-R1090 HydrophobicContact CG-CG 3.9Å; P1085-R1090 WeakPolarHBondContact O-CD 3.37Å; S1086-R1090 WeakPolarHBondContact O-CG 3.48Å; S1086-R1090 PolarHBondContact O-N 3.46Å; A1087-R1090 PolarHBondContact O-N 3.48Å; Y1088-R1090 VanDerWaalsContact C-N 3.31Å; Y1088-R1090 PolarHBondContact O-N 3.17Å; R1090-V1092 PolarHBondContact O-N 3.32Å; R1090-S1093 WeakPolarHBondContact O-CB 3.46Å; R1090-S1093 PolarHBondContact O-N 2.84Å; R1090-S1093 VanDerWaalsContact O-N 3.16Å; R1090-I1094 WeakPolarHBondContact O-CG1 3.33Å; R1090-I1094 PolarHBondContact O-N 2.96Å
1091	C	94.2	Very high	80.9	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.007	37%	0.371	C	S	.	.	H	α-helix	trans	-59.9	-45.8	173.5	-73.6	0	0	0	0	111.5	I1046 M1050 L1055 A1087 Y1088 S1093 I1094 L1095	I1046-C1091 HydrophobicContact CD1-CB 4.23Å; I1046-C1091 HydrophobicContact CG2-CB 4.02Å; M1050-C1091 HydrophobicContact CE-CB 4.17Å; L1055-C1091 HydrophobicContact CD2-CB 3.87Å; A1087-C1091 VanDerWaalsContact O-CB 3.29Å; A1087-C1091 WeakPolarHBondContact O-CB 3.48Å; A1087-C1091 PolarHBondContact O-N 3.4Å; A1087-C1091 PolarHBondContact O-SG 3.44Å; Y1088-C1091 WeakPolarHBondContact O-CB 3.19Å; Y1088-C1091 PolarHBondContact O-N 3.11Å; C1091-S1093 VanDerWaalsContact C-N 3.29Å; C1091-S1093 PolarHBondContact O-N 3.12Å; C1091-I1094 PolarHBondContact O-N 3.07Å; C1091-L1095 WeakPolarHBondContact O-CB 3.42Å; C1091-L1095 VanDerWaalsContact O-CG 3.25Å; C1091-L1095 WeakPolarHBondContact O-CG 3.36Å; C1091-L1095 PolarHBondContact O-N 3.17Å
1092	V	92.1	Very high	83.3	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-59	-41.2	174.8	172.7	0	0	0	0	111.3	M1050 Y1088 R1090 L1095 R1096 A1123	M1050-V1092 HydrophobicContact CE-CG2 3.82Å; Y1088-V1092 HydrophobicContact CD1-CG2 4.3Å; Y1088-V1092 HydrophobicContact CE1-CG2 3.92Å; Y1088-V1092 HydrophobicContact CE2-CG2 4.3Å; Y1088-V1092 WeakPolarHBondContact O-CG2 3.49Å; Y1088-V1092 PolarHBondContact O-N 3.04Å; R1090-V1092 PolarHBondContact O-N 3.32Å; V1092-L1095 PolarHBondContact O-N 3.45Å; V1092-R1096 WeakPolarHBondContact O-CG 3.21Å; V1092-R1096 PolarHBondContact O-N 3.41Å; V1092-A1123 HydrophobicContact CG2-CB 4.02Å
1093	S	92	Very high	85.5	Confident	71 Å²	71	66.2 Å²	66.2	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-41.5	176.8	-63.6	0	0	0	0	112.3	Q1089 R1090 C1091 R1096 H1097	Q1089-S1093 PolarHBondContact O-N 2.79Å; Q1089-S1093 PolarHBondContact O-OG 3.43Å; R1090-S1093 WeakPolarHBondContact O-CB 3.46Å; R1090-S1093 PolarHBondContact O-N 2.84Å; R1090-S1093 VanDerWaalsContact O-N 3.16Å; C1091-S1093 VanDerWaalsContact C-N 3.29Å; C1091-S1093 PolarHBondContact O-N 3.12Å; S1093-R1096 PolarHBondContact O-N 2.95Å; S1093-H1097 PolarHBondContact O-N 3.21Å
1094	I	91.4	Very high	86.8	Confident	16 Å²	16	59.6 Å²	59.6	8%	0.082	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-45.4	174.1	-68.8	165.8	0	0	0	110.6	C1021 I1024 R1090 C1091 R1096 H1097 I1098	C1021-I1094 HydrophobicContact CB-CD1 4Å; I1024-I1094 HydrophobicContact CB-CD1 4.1Å; I1024-I1094 HydrophobicContact CD1-CD1 4.12Å; I1024-I1094 HydrophobicContact CD1-CG2 4.37Å; I1024-I1094 HydrophobicContact CG2-CD1 4Å; I1024-I1094 HydrophobicContact CG2-CG1 4.18Å; I1024-I1094 HydrophobicContact CG2-CG2 4.05Å; R1090-I1094 WeakPolarHBondContact O-CG1 3.33Å; R1090-I1094 PolarHBondContact O-N 2.96Å; C1091-I1094 PolarHBondContact O-N 3.07Å; I1094-R1096 PolarHBondContact O-N 3.47Å; I1094-H1097 WeakPolarHBondContact O-CB 3.38Å; I1094-H1097 PolarHBondContact O-N 2.87Å; I1094-H1097 VanDerWaalsContact O-N 3.09Å; I1094-I1098 HydrophobicContact CG2-CD1 4.23Å; I1094-I1098 WeakPolarHBondContact O-CG1 3.26Å; I1094-I1098 PolarHBondContact O-N 3.42Å
1095	L	91.4	Very high	87.6	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-41.5	177.8	-69.9	169.4	0	0	0	112.1	V1043 I1046 M1050 C1091 V1092 H1097 I1098 Q1099 L1120 L1124	V1043-L1095 HydrophobicContact CB-CD2 4.46Å; V1043-L1095 HydrophobicContact CG1-CD2 4.09Å; V1043-L1095 HydrophobicContact CG2-CD2 3.96Å; I1046-L1095 HydrophobicContact CG2-CD1 3.78Å; I1046-L1095 HydrophobicContact CG2-CG 4.47Å; M1050-L1095 HydrophobicContact CE-CD1 4Å; M1050-L1095 HydrophobicContact SD-CD1 4.29Å; C1091-L1095 WeakPolarHBondContact O-CB 3.42Å; C1091-L1095 VanDerWaalsContact O-CG 3.25Å; C1091-L1095 WeakPolarHBondContact O-CG 3.36Å; C1091-L1095 PolarHBondContact O-N 3.17Å; V1092-L1095 PolarHBondContact O-N 3.45Å; L1095-H1097 VanDerWaalsContact C-N 3.3Å; L1095-H1097 PolarHBondContact O-N 2.97Å; L1095-I1098 PolarHBondContact O-N 3.19Å; L1095-Q1099 PolarHBondContact O-N 2.84Å; L1095-L1120 HydrophobicContact CB-CD2 4.41Å; L1095-L1120 HydrophobicContact CD1-CD2 3.52Å; L1095-L1120 HydrophobicContact CD1-CG 4.43Å; L1095-L1120 HydrophobicContact CD2-CD2 3.84Å; L1095-L1120 HydrophobicContact CG-CD2 4.11Å; L1095-L1124 HydrophobicContact CB-CD2 4.04Å
1096	R	90.3	Very high	87.7	Confident	96 Å²	96	56.2 Å²	56.2	36%	0.362	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-37.5	173.1	-74.7	176.3	177.5	155.4	0.5	112	V1092 S1093 I1094 Q1099 S1100 L1124 G1126	V1092-R1096 WeakPolarHBondContact O-CG 3.21Å; V1092-R1096 PolarHBondContact O-N 3.41Å; S1093-R1096 PolarHBondContact O-N 2.95Å; I1094-R1096 PolarHBondContact O-N 3.47Å; R1096-Q1099 WeakPolarHBondContact O-CB 3.41Å; R1096-Q1099 PolarHBondContact O-N 3.4Å; R1096-S1100 PolarHBondContact O-N 3.48Å; R1096-L1124 HydrophobicContact CB-CD2 4.49Å; R1096-L1124 HydrophobicContact CG-CD2 3.53Å; R1096-L1124 PolarHBondContact NH2-O 3.27Å; R1096-G1126 PolarHBondContact NH2-O 2.98Å
1097	H	88.1	Confident	87.6	Confident	144 Å²	144	59.1 Å²	59.1	67%	0.667	32%	0.32	S	S	*	.	H	α-helix	trans	-64.4	-44.2	175.8	-164.3	68.8	0	0	0	111.5	S1093 I1094 L1095 Q1099 S1100	S1093-H1097 PolarHBondContact O-N 3.21Å; I1094-H1097 WeakPolarHBondContact O-CB 3.38Å; I1094-H1097 PolarHBondContact O-N 2.87Å; I1094-H1097 VanDerWaalsContact O-N 3.09Å; L1095-H1097 VanDerWaalsContact C-N 3.3Å; L1095-H1097 PolarHBondContact O-N 2.97Å; H1097-Q1099 VanDerWaalsContact C-N 3.29Å; H1097-Q1099 PolarHBondContact O-N 3.34Å; H1097-S1100 WeakPolarHBondContact O-CB 3.33Å; H1097-S1100 PolarHBondContact O-N 2.9Å; H1097-S1100 PolarHBondContact O-OG 2.92Å
1098	I	86.8	Confident	87.4	Confident	16 Å²	16	59.2 Å²	59.2	8%	0.082	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-39.5	174.2	-62	168.8	0	0	0	110.6	L1039 V1043 I1094 L1095 S1100 N1101 L1104 V1105	L1039-I1098 HydrophobicContact CD1-CD1 4.46Å; L1039-I1098 HydrophobicContact CD1-CG1 4.38Å; L1039-I1098 HydrophobicContact CD2-CD1 3.95Å; V1043-I1098 HydrophobicContact CG2-CD1 3.68Å; I1094-I1098 HydrophobicContact CG2-CD1 4.23Å; I1094-I1098 WeakPolarHBondContact O-CG1 3.26Å; I1094-I1098 PolarHBondContact O-N 3.42Å; L1095-I1098 PolarHBondContact O-N 3.19Å; I1098-S1100 PolarHBondContact O-N 3.23Å; I1098-S1100 VanDerWaalsContact O-N 3.13Å; I1098-N1101 PolarHBondContact O-N 3.35Å; I1098-L1104 HydrophobicContact CG2-CB 4.3Å; I1098-V1105 WeakPolarHBondContact O-CG2 3.35Å
1099	Q	85	Confident	87.1	Confident	111 Å²	111	60.2 Å²	60.2	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-56.9	-29.4	178.7	-160.9	179.7	17.4	0	0	113.3	L1095 R1096 H1097 N1101 V1105	L1095-Q1099 PolarHBondContact O-N 2.84Å; R1096-Q1099 WeakPolarHBondContact O-CB 3.41Å; R1096-Q1099 PolarHBondContact O-N 3.4Å; H1097-Q1099 VanDerWaalsContact C-N 3.29Å; H1097-Q1099 PolarHBondContact O-N 3.34Å; Q1099-N1101 PolarHBondContact O-N 3.02Å; Q1099-V1105 VanDerWaalsContact CA-CG2 3.47Å
1100	S	83.9	Confident	86.7	Confident	95 Å²	95	60.6 Å²	60.6	66%	0.664	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.8	177.1	76.1	0	0	0	0	114	R1096 H1097 I1098	R1096-S1100 PolarHBondContact O-N 3.48Å; H1097-S1100 WeakPolarHBondContact O-CB 3.33Å; H1097-S1100 PolarHBondContact O-N 2.9Å; H1097-S1100 PolarHBondContact O-OG 2.92Å; I1098-S1100 PolarHBondContact O-N 3.23Å; I1098-S1100 VanDerWaalsContact O-N 3.13Å
1101	N	83.6	Confident	86.2	Confident	66 Å²	66	64.1 Å²	64.1	35%	0.353	36%	0.357	S	S	.	.			trans	-112.2	94	177	-172	-26.6	0	0	0	111.5	I1098 Q1099 S1103 L1104 V1105	I1098-N1101 PolarHBondContact O-N 3.35Å; Q1099-N1101 PolarHBondContact O-N 3.02Å; N1101-S1103 VanDerWaalsContact C-N 3.25Å; N1101-S1103 PolarHBondContact O-N 3.48Å; N1101-S1103 VanDerWaalsContact O-N 3.11Å; N1101-S1103 PolarHBondContact OD1-N 2.87Å; N1101-S1103 PolarHBondContact OD1-OG 3.15Å; N1101-L1104 HydrophobicContact CB-CB 4.26Å; N1101-L1104 HydrophobicContact CB-CD1 4Å; N1101-L1104 HydrophobicContact CB-CG 4.44Å; N1101-L1104 WeakPolarHBondContact ND2-CD1 3.4Å; N1101-L1104 PolarHBondContact O-N 3.06Å; N1101-V1105 WeakPolarHBondContact O-CG2 3.35Å; N1101-V1105 PolarHBondContact O-N 3.3Å; N1101-V1105 VanDerWaalsContact O-N 3.12Å
1102	S	77.1	Confident	85.9	Confident	101 Å²	101	64.3 Å²	64.3	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-48.9	-39.5	-177.5	52	0	0	0	0	114.9	V1105 E1106	S1102-V1105 PolarHBondContact O-N 2.91Å; S1102-E1106 PolarHBondContact O-N 3.45Å
1103	S	80.2	Confident	85.9	Confident	77 Å²	77	67.7 Å²	67.7	54%	0.538	38%	0.376	S	S	.	.	H	α-helix	trans	-69.1	-31.9	179.7	66.6	0	0	0	0	113.7	N1101 V1107	N1101-S1103 VanDerWaalsContact C-N 3.25Å; N1101-S1103 PolarHBondContact O-N 3.48Å; N1101-S1103 VanDerWaalsContact O-N 3.11Å; N1101-S1103 PolarHBondContact OD1-N 2.87Å; N1101-S1103 PolarHBondContact OD1-OG 3.15Å; S1103-V1107 WeakPolarHBondContact O-CG2 3.35Å
1104	L	81	Confident	85.7	Confident	33 Å²	33	72.6 Å²	72.6	17%	0.173	39%	0.391	C	S	.	.	H	α-helix	trans	-79	-36.1	176.8	-76.7	168.7	0	0	0	111.6	N1036 L1039 I1098 N1101 E1106 V1107 C1108	N1036-L1104 HydrophobicContact CB-CD2 4.13Å; L1039-L1104 HydrophobicContact CD1-CD1 4.22Å; L1039-L1104 HydrophobicContact CD1-CD2 4.29Å; I1098-L1104 HydrophobicContact CG2-CB 4.3Å; N1101-L1104 HydrophobicContact CB-CB 4.26Å; N1101-L1104 HydrophobicContact CB-CD1 4Å; N1101-L1104 HydrophobicContact CB-CG 4.44Å; N1101-L1104 WeakPolarHBondContact ND2-CD1 3.4Å; N1101-L1104 PolarHBondContact O-N 3.06Å; L1104-E1106 VanDerWaalsContact C-N 3.34Å; L1104-E1106 PolarHBondContact O-N 3.23Å; L1104-V1107 PolarHBondContact O-N 2.97Å; L1104-C1108 PolarHBondContact O-N 2.94Å; L1104-C1108 PolarHBondContact O-SG 3.07Å
1105	V	84.2	Confident	85.4	Confident	42 Å²	42	78.5 Å²	78.5	26%	0.255	42%	0.418	S	S	.	.	H	α-helix	trans	-58.5	-46.5	179.1	175.4	0	0	0	0	111.5	I1098 Q1099 N1101 S1102 V1107 C1108 V1109	I1098-V1105 WeakPolarHBondContact O-CG2 3.35Å; Q1099-V1105 VanDerWaalsContact CA-CG2 3.47Å; N1101-V1105 WeakPolarHBondContact O-CG2 3.35Å; N1101-V1105 PolarHBondContact O-N 3.3Å; N1101-V1105 VanDerWaalsContact O-N 3.12Å; S1102-V1105 PolarHBondContact O-N 2.91Å; V1105-V1107 VanDerWaalsContact C-N 3.29Å; V1105-V1107 PolarHBondContact O-N 3.17Å; V1105-C1108 PolarHBondContact O-N 2.96Å; V1105-V1109 HydrophobicContact CG1-CG2 3.91Å; V1105-V1109 WeakPolarHBondContact O-CB 3.5Å; V1105-V1109 VanDerWaalsContact O-CG2 3.31Å; V1105-V1109 WeakPolarHBondContact O-CG2 3.41Å; V1105-V1109 PolarHBondContact O-N 3.33Å
1106	E	83.7	Confident	85.4	Confident	150 Å²	150	78.5 Å²	78.5	70%	0.701	42%	0.418	S	S	*	.	H	α-helix	trans	-61.4	-40.6	-178.3	-167.2	173	-171.8	0	0	111.5	S1102 L1104 S1110	S1102-E1106 PolarHBondContact O-N 3.45Å; L1104-E1106 VanDerWaalsContact C-N 3.34Å; L1104-E1106 PolarHBondContact O-N 3.23Å; E1106-S1110 WeakPolarHBondContact O-CB 3.47Å; E1106-S1110 PolarHBondContact O-N 3.44Å; E1106-S1110 VanDerWaalsContact O-N 3.11Å; E1106-S1110 PolarHBondContact O-OG 3.02Å
1107	V	85.7	Confident	85.4	Confident	74 Å²	74	79.7 Å²	79.7	45%	0.448	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-42.2	177.4	-178.2	0	0	0	0	111.5	P1040 S1103 L1104 V1105 S1110	P1040-V1107 HydrophobicContact CG-CG1 3.74Å; S1103-V1107 WeakPolarHBondContact O-CG2 3.35Å; L1104-V1107 PolarHBondContact O-N 2.97Å; V1105-V1107 VanDerWaalsContact C-N 3.29Å; V1105-V1107 PolarHBondContact O-N 3.17Å; V1107-S1110 PolarHBondContact O-OG 3.26Å
1108	C	86.7	Confident	85.3	Confident	2 Å²	2	79.9 Å²	79.9	1%	0.014	42%	0.422	C	S	.	.	H	α-helix	trans	-72	-43.4	-179.3	-66.8	0	0	0	0	112.7	V1043 L1104 V1105	V1043-C1108 HydrophobicContact CB-CB 4.05Å; V1043-C1108 HydrophobicContact CG1-CB 4.03Å; V1043-C1108 HydrophobicContact CG2-CB 3.98Å; L1104-C1108 PolarHBondContact O-N 2.94Å; L1104-C1108 PolarHBondContact O-SG 3.07Å; V1105-C1108 PolarHBondContact O-N 2.96Å
1109	V	84.9	Confident	85.3	Confident	53 Å²	53	80 Å²	80	32%	0.321	43%	0.425	S	S	.	.	H	α-helix	trans	-79.4	-30.3	-173.4	176.9	0	0	0	0	112.3	V1105 Q1111 L1112 R1117	V1105-V1109 HydrophobicContact CG1-CG2 3.91Å; V1105-V1109 WeakPolarHBondContact O-CB 3.5Å; V1105-V1109 VanDerWaalsContact O-CG2 3.31Å; V1105-V1109 WeakPolarHBondContact O-CG2 3.41Å; V1105-V1109 PolarHBondContact O-N 3.33Å; V1109-Q1111 PolarHBondContact O-N 3.17Å; V1109-Q1111 VanDerWaalsContact O-N 3.14Å; V1109-L1112 WeakPolarHBondContact O-CB 3.38Å; V1109-L1112 PolarHBondContact O-N 3.45Å; V1109-L1112 VanDerWaalsContact O-N 3.12Å; V1109-R1117 HydrophobicContact CG1-CG 4.18Å; V1109-R1117 PolarHBondContact O-NE 2.97Å
1110	S	84.6	Confident	85.4	Confident	75 Å²	75	75.4 Å²	75.4	52%	0.524	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.7	-179.2	56.1	0	0	0	0	113.9	E1106 V1107	E1106-S1110 WeakPolarHBondContact O-CB 3.47Å; E1106-S1110 PolarHBondContact O-N 3.44Å; E1106-S1110 VanDerWaalsContact O-N 3.11Å; E1106-S1110 PolarHBondContact O-OG 3.02Å; V1107-S1110 PolarHBondContact O-OG 3.26Å
1111	Q	82.8	Confident	85.6	Confident	108 Å²	108	72.1 Å²	72.1	51%	0.505	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.3	-179.8	-58.9	-171.4	15.9	0	0	114	V1109	V1109-Q1111 PolarHBondContact O-N 3.17Å; V1109-Q1111 VanDerWaalsContact O-N 3.14Å
1112	L	89.7	Confident	85.6	Confident	6 Å²	6	73.8 Å²	73.8	3%	0.031	39%	0.393	C	S	.	.			trans	-89.4	143.8	-177.1	-56.2	-179.3	0	0	0	111.5	V1043 R1044 A1047 V1109 Q1116 R1117 L1120	V1043-L1112 HydrophobicContact CG1-CD1 4.33Å; R1044-L1112 HydrophobicContact CB-CD2 3.93Å; R1044-L1112 HydrophobicContact CG-CD2 4.17Å; A1047-L1112 HydrophobicContact CB-CD1 4.18Å; A1047-L1112 HydrophobicContact CB-CD2 3.98Å; V1109-L1112 WeakPolarHBondContact O-CB 3.38Å; V1109-L1112 PolarHBondContact O-N 3.45Å; V1109-L1112 VanDerWaalsContact O-N 3.12Å; L1112-Q1116 HydrophobicContact CB-CB 3.99Å; L1112-Q1116 HydrophobicContact CD2-CB 4.38Å; L1112-R1117 HydrophobicContact CB-CG 3.76Å; L1112-R1117 HydrophobicContact CD1-CG 4.37Å; L1112-R1117 PolarHBondContact O-NE 3.39Å; L1112-R1117 PolarHBondContact O-NH2 2.97Å; L1112-L1120 HydrophobicContact CD1-CD1 3.25Å
1113	N	91.2	Very high	85.9	Confident	78 Å²	78	69.2 Å²	69.2	42%	0.417	36%	0.361	S	S	.	.			trans	-74.3	177.1	168.7	73.1	25.5	0	0	0	111.2	E1115 Q1116 R1117	N1113-E1115 PolarHBondContact OD1-N 3.39Å; N1113-Q1116 VanDerWaalsContact OD1-CB 3.25Å; N1113-Q1116 WeakPolarHBondContact OD1-CB 3.37Å; N1113-Q1116 WeakPolarHBondContact OD1-CG 3.47Å; N1113-Q1116 PolarHBondContact OD1-N 3.41Å; N1113-R1117 VanDerWaalsContact O-CG 3.27Å; N1113-R1117 WeakPolarHBondContact O-CG 3.28Å; N1113-R1117 PolarHBondContact O-N 3.22Å; N1113-R1117 VanDerWaalsContact O-N 3.07Å
1114	E	87.7	Confident	86.1	Confident	173 Å²	173	67.5 Å²	67.5	81%	0.808	35%	0.346	S	S	*	.	H	α-helix	trans	-66.8	-41	-174.7	-167.7	170.4	179.6	0	0	113.1	R1117 K1118	E1114-R1117 PolarHBondContact O-N 3.38Å; E1114-K1118 WeakPolarHBondContact O-CB 3.41Å; E1114-K1118 PolarHBondContact O-N 2.99Å
1115	E	85.2	Confident	85.9	Confident	140 Å²	140	73.2 Å²	73.2	65%	0.654	37%	0.373	S	S	*	.	H	α-helix	trans	-64	-45.5	178	-69.9	-178.3	160.6	0	0	111.9	N1113 R1117 K1118 A1119	N1113-E1115 PolarHBondContact OD1-N 3.39Å; E1115-R1117 VanDerWaalsContact C-N 3.35Å; E1115-R1117 PolarHBondContact O-N 2.95Å; E1115-K1118 WeakPolarHBondContact O-CB 3.45Å; E1115-K1118 PolarHBondContact O-N 2.82Å; E1115-K1118 VanDerWaalsContact O-N 3.16Å; E1115-A1119 WeakPolarHBondContact O-CB 3.4Å; E1115-A1119 PolarHBondContact O-N 3.01Å
1116	Q	90.8	Very high	84.7	Confident	8 Å²	8	73.5 Å²	73.5	4%	0.037	39%	0.385	C	S	.	.	H	α-helix	trans	-59.8	-43.6	175.7	-73.7	169.1	-12.9	0	0	111.6	A1047 E1048 L1112 N1113 K1118 A1119 L1120	A1047-Q1116 HydrophobicContact CB-CB 3.88Å; A1047-Q1116 HydrophobicContact CB-CG 4.2Å; E1048-Q1116 PolarHBondContact OE2-NE2 3.06Å; L1112-Q1116 HydrophobicContact CB-CB 3.99Å; L1112-Q1116 HydrophobicContact CD2-CB 4.38Å; N1113-Q1116 VanDerWaalsContact OD1-CB 3.25Å; N1113-Q1116 WeakPolarHBondContact OD1-CB 3.37Å; N1113-Q1116 WeakPolarHBondContact OD1-CG 3.47Å; N1113-Q1116 PolarHBondContact OD1-N 3.41Å; Q1116-K1118 VanDerWaalsContact C-N 3.34Å; Q1116-A1119 PolarHBondContact O-N 3.19Å; Q1116-L1120 WeakPolarHBondContact O-CB 3.46Å; Q1116-L1120 PolarHBondContact O-N 3.32Å
1117	R	90.1	Very high	82.8	Confident	121 Å²	121	78.5 Å²	78.5	46%	0.457	41%	0.408	S	S	.	.	H	α-helix	trans	-64.2	-40.1	175.6	-71.4	177.5	-158.8	-169.9	4.5	111.8	V1109 L1112 N1113 E1114 E1115 G1121	V1109-R1117 HydrophobicContact CG1-CG 4.18Å; V1109-R1117 PolarHBondContact O-NE 2.97Å; L1112-R1117 HydrophobicContact CB-CG 3.76Å; L1112-R1117 HydrophobicContact CD1-CG 4.37Å; L1112-R1117 PolarHBondContact O-NE 3.39Å; L1112-R1117 PolarHBondContact O-NH2 2.97Å; N1113-R1117 VanDerWaalsContact O-CG 3.27Å; N1113-R1117 WeakPolarHBondContact O-CG 3.28Å; N1113-R1117 PolarHBondContact O-N 3.22Å; N1113-R1117 VanDerWaalsContact O-N 3.07Å; E1114-R1117 PolarHBondContact O-N 3.38Å; E1115-R1117 VanDerWaalsContact C-N 3.35Å; E1115-R1117 PolarHBondContact O-N 2.95Å; R1117-G1121 PolarHBondContact O-N 3.45Å
1118	K	87.4	Confident	82.6	Confident	149 Å²	149	78.8 Å²	78.8	65%	0.648	41%	0.406	S	S	*	.	H	α-helix	trans	-64.6	-46.7	178.1	-172.2	-177.8	177.7	-172.8	0	110.9	E1114 E1115 Q1116 L1120 G1121 I1122	E1114-K1118 WeakPolarHBondContact O-CB 3.41Å; E1114-K1118 PolarHBondContact O-N 2.99Å; E1115-K1118 WeakPolarHBondContact O-CB 3.45Å; E1115-K1118 PolarHBondContact O-N 2.82Å; E1115-K1118 VanDerWaalsContact O-N 3.16Å; Q1116-K1118 VanDerWaalsContact C-N 3.34Å; K1118-L1120 PolarHBondContact O-N 3.25Å; K1118-G1121 PolarHBondContact O-N 3.07Å; K1118-G1121 VanDerWaalsContact O-N 3.17Å; K1118-I1122 HydrophobicContact CG-CD1 4.13Å; K1118-I1122 WeakPolarHBondContact O-CG1 3.34Å; K1118-I1122 PolarHBondContact O-N 3.05Å
1119	A	85.9	Confident	82.4	Confident	17 Å²	17	82.8 Å²	82.8	14%	0.14	43%	0.427	C	S	.	.	H	α-helix	trans	-58.4	-47.7	176.5	0	0	0	0	0	111.5	M1050 E1115 Q1116 G1121 I1122 A1123	M1050-A1119 HydrophobicContact CB-CB 4.15Å; E1115-A1119 WeakPolarHBondContact O-CB 3.4Å; E1115-A1119 PolarHBondContact O-N 3.01Å; Q1116-A1119 PolarHBondContact O-N 3.19Å; A1119-G1121 VanDerWaalsContact C-N 3.34Å; A1119-G1121 PolarHBondContact O-N 3.01Å; A1119-I1122 PolarHBondContact O-N 3.26Å; A1119-A1123 WeakPolarHBondContact O-CB 3.15Å; A1119-A1123 PolarHBondContact O-N 3.47Å
1120	L	88.1	Confident	82.3	Confident	15 Å²	15	84.4 Å²	84.4	8%	0.079	43%	0.433	C	S	.	.	H	α-helix	trans	-58	-44.2	173.3	-107.1	155	0	0	0	112.9	V1043 A1047 L1095 L1112 Q1116 K1118 A1123 L1124	V1043-L1120 HydrophobicContact CG1-CD1 4.03Å; A1047-L1120 HydrophobicContact CB-CD1 3.54Å; A1047-L1120 HydrophobicContact CB-CG 4.24Å; L1095-L1120 HydrophobicContact CB-CD2 4.41Å; L1095-L1120 HydrophobicContact CD1-CD2 3.52Å; L1095-L1120 HydrophobicContact CD1-CG 4.43Å; L1095-L1120 HydrophobicContact CD2-CD2 3.84Å; L1095-L1120 HydrophobicContact CG-CD2 4.11Å; L1112-L1120 HydrophobicContact CD1-CD1 3.25Å; Q1116-L1120 WeakPolarHBondContact O-CB 3.46Å; Q1116-L1120 PolarHBondContact O-N 3.32Å; K1118-L1120 PolarHBondContact O-N 3.25Å; L1120-A1123 PolarHBondContact O-N 3.41Å; L1120-L1124 HydrophobicContact CD2-CD1 4.02Å; L1120-L1124 HydrophobicContact CD2-CG 4.46Å; L1120-L1124 WeakPolarHBondContact O-CB 3.37Å; L1120-L1124 VanDerWaalsContact O-CG 3.27Å; L1120-L1124 WeakPolarHBondContact O-CG 3.35Å; L1120-L1124 PolarHBondContact O-N 3.21Å
1121	G	86.2	Confident	82.1	Confident	27 Å²	27	85 Å²	85	28%	0.278	43%	0.427	S	S	.	.	H	α-helix	trans	-60	-45.6	177.7	0	0	0	0	0	112	R1117 K1118 A1119 L1124 M1125	R1117-G1121 PolarHBondContact O-N 3.45Å; K1118-G1121 PolarHBondContact O-N 3.07Å; K1118-G1121 VanDerWaalsContact O-N 3.17Å; A1119-G1121 VanDerWaalsContact C-N 3.34Å; A1119-G1121 PolarHBondContact O-N 3.01Å; G1121-L1124 PolarHBondContact O-N 3.44Å; G1121-M1125 WeakPolarHBondContact O-CB 3.42Å; G1121-M1125 VanDerWaalsContact O-CG 3.25Å; G1121-M1125 WeakPolarHBondContact O-CG 3.46Å; G1121-M1125 PolarHBondContact O-N 3.1Å
1122	I	84.3	Confident	82.1	Confident	101 Å²	101	83.6 Å²	83.6	52%	0.518	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-50.6	176.2	-67.3	165.5	0	0	0	110.2	K1118 A1119 L1124 M1125 G1126	K1118-I1122 HydrophobicContact CG-CD1 4.13Å; K1118-I1122 WeakPolarHBondContact O-CG1 3.34Å; K1118-I1122 PolarHBondContact O-N 3.05Å; A1119-I1122 PolarHBondContact O-N 3.26Å; I1122-L1124 VanDerWaalsContact C-N 3.28Å; I1122-L1124 PolarHBondContact O-N 2.93Å; I1122-M1125 PolarHBondContact O-N 2.58Å; I1122-M1125 VanDerWaalsContact O-N 3.13Å; I1122-G1126 PolarHBondContact O-N 3.11Å
1123	A	83.9	Confident	81.6	Confident	4 Å²	4	88.7 Å²	88.7	3%	0.033	45%	0.449	C	S	.	.	H	α-helix	trans	-60.8	-36	-178	0	0	0	0	0	112.8	M1050 Y1088 V1092 A1119 L1120	M1050-A1123 HydrophobicContact CE-CB 4.22Å; M1050-A1123 HydrophobicContact SD-CB 3.83Å; Y1088-A1123 HydrophobicContact CE2-CB 4.38Å; Y1088-A1123 WeakPolarHBondContact OH-CA 3.47Å; Y1088-A1123 WeakPolarHBondContact OH-CB 3.31Å; V1092-A1123 HydrophobicContact CG2-CB 4.02Å; A1119-A1123 WeakPolarHBondContact O-CB 3.15Å; A1119-A1123 PolarHBondContact O-N 3.47Å; L1120-A1123 PolarHBondContact O-N 3.41Å
1124	L	84.5	Confident	80.9	Confident	41 Å²	41	89.5 Å²	89.5	22%	0.215	45%	0.451	C	S	.	.	H	α-helix	trans	-77.8	-28.3	177.8	-69.7	171.5	0	0	0	113.3	L1095 R1096 L1120 G1121 I1122	L1095-L1124 HydrophobicContact CB-CD2 4.04Å; R1096-L1124 HydrophobicContact CB-CD2 4.49Å; R1096-L1124 HydrophobicContact CG-CD2 3.53Å; R1096-L1124 PolarHBondContact NH2-O 3.27Å; L1120-L1124 HydrophobicContact CD2-CD1 4.02Å; L1120-L1124 HydrophobicContact CD2-CG 4.46Å; L1120-L1124 WeakPolarHBondContact O-CB 3.37Å; L1120-L1124 VanDerWaalsContact O-CG 3.27Å; L1120-L1124 WeakPolarHBondContact O-CG 3.35Å; L1120-L1124 PolarHBondContact O-N 3.21Å; G1121-L1124 PolarHBondContact O-N 3.44Å; I1122-L1124 VanDerWaalsContact C-N 3.28Å; I1122-L1124 PolarHBondContact O-N 2.93Å
1125	M	76.7	Confident	80.4	Confident	153 Å²	153	83.1 Å²	83.1	75%	0.754	42%	0.423	S	S	*	.	H	α-helix	trans	-78.2	-18.7	178.6	-76.6	-166.9	-70.9	0	0	114.1	G1121 I1122 Q1127	G1121-M1125 WeakPolarHBondContact O-CB 3.42Å; G1121-M1125 VanDerWaalsContact O-CG 3.25Å; G1121-M1125 WeakPolarHBondContact O-CG 3.46Å; G1121-M1125 PolarHBondContact O-N 3.1Å; I1122-M1125 PolarHBondContact O-N 2.58Å; I1122-M1125 VanDerWaalsContact O-N 3.13Å; M1125-Q1127 PolarHBondContact O-N 3.03Å; M1125-Q1127 VanDerWaalsContact O-N 3.08Å
1126	G	58.8	Low	80	Confident	48 Å²	48	78.3 Å²	78.3	50%	0.495	40%	0.404	S	S	.	.			trans	-63.1	105.8	178	0	0	0	0	0	113.3	R1096 I1122	R1096-G1126 PolarHBondContact NH2-O 2.98Å; I1122-G1126 PolarHBondContact O-N 3.11Å
1127	Q	43.1	Very low	79	Confident	256 Å²	256	84.7 Å²	84.7	100%	1.196	44%	0.437	S	S	*	.			trans	-128.5	0	156.1	-95.9	-163.8	-13.1	0	0	109.1	M1125	M1125-Q1127 PolarHBondContact O-N 3.03Å; M1125-Q1127 VanDerWaalsContact O-N 3.08Å

Retrieved 1,127 of 1,127 residues in 1554.2 ms (Link to these results)

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