A0A5K4FAH5_SCHMA Loading...

Centaurin-gamma-1A

AlphaFold DB , UniProt , Accession A0A5K4FAH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,041 aa.

						>A0A5K4FAH5_SCHMA|A0A5K4FAH5
MSSQSSLNDISNAIRQEIIRFESVHPNIYAIYDLIDAVEDKNLAESLRQLVVSIEDAFVNSQEWTLSNGVPGIKLGLLGSVQSGKSALVHRYLTGAYVHDESPEGGRFKKELSLDNQSHLLLIRDEGGPPDLQFSQWVDGVIFVFSLENIESYQVVYDYYARLSTYRSTSSLPIILVGTQDSNCEPYVRVIDDARARKLANDLKRCAYYETCAAYGLNVERVFQDACLKILQLRASGNSPVPRPITPQISSNSQQRACANSPVECVPIVGISQSQQSLFSNVVNAREGPLMKNPQKRNEDEREREKKLNGIGSGRAIPLKQGFLYKRTCKPLSKEWKTKKYVTLTDDARLTYHPSIHDYMDNSHGKEIDLSRTTVKIPGVAFRQVGSRITSNGLLRSQLNDGGTDRRSTGVDVKNPTENSAPLNDNSASGGKDSSSVKKRHRRIKSNPKSNNADGSDSEGYEFQLISMDRQWHFEATGPDERDEWVMHIERAIMTRLQLNESSKRTRAIAATGCTTGVGGTSGSNHLSNVSGLGSGSGRHGDSNSLNSSRCGAGDANELAVTEHLIQSIRSAAGNDFCADCGAPEPDWASLNLGAMVCISCSGIHRQLGTHISRIRSLHLDEWSTESVSVMSAIGNTLANSVWEAAAPVNAGNLRFSQRFHFPYFYNKLTFIVINLMIIRKPDPSSSREEKEVWIRAKYQHREFLPPLPYPDAPLQRQLIDAIARQDTRQVILCLALATPETVNAAYSLQDPRAAIHIAATLGNLVYLQLLLWYNGDPAVTDHEGRNAFYYAHCSKNYDCADFLLRNSCPKQLVPPIPPNIMPPTIRSSQNVMPQQIVQSHSIIHGSSISTGLSSGVADININNSINSGLVQPHHFSHLQQHQSSASVVSSEVGTHLSGQLPSYHPMTTGSVTSNQQLSQVVGSNHPLVSASGNMYTGNVNQALGATLPRRRAPIGPFPPGAAPPTLQPFPRPNIQQQVSVSNTHRPTSSVIQSVTRPITPNAMLRTSLVSSSQPPHTRSSSNTTATLSQPYVSTSQEVGL
					

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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	41.3	Very low	57.6	Low	195 Å²	195	86.9 Å²	86.9	96%	0.961	49%	0.493	S	S	*	.				0	-59.1	0	-78.4	-179.1	155.8	0	0	111.5	S3 Q4	M1-S3 PolarHBondContact O-N 3.06Å; M1-Q4 PolarHBondContact O-N 3.47Å
2	S	39.1	Very low	59.2	Low	105 Å²	105	86.2 Å²	86.2	73%	0.734	49%	0.487	S	S	*	.	H	α-helix	trans	-54.9	-19.7	178.3	42.4	0	0	0	0	116.6	S5	S2-S5 PolarHBondContact O-OG 3.38Å
3	S	43.3	Very low	60.5	Low	78 Å²	78	81.6 Å²	81.6	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-83.2	-13.2	173	50.9	0	0	0	0	114.9	M1 S6	M1-S3 PolarHBondContact O-N 3.06Å; S3-S6 PolarHBondContact O-OG 2.99Å
4	Q	45	Very low	61.5	Low	126 Å²	126	75.8 Å²	75.8	59%	0.589	43%	0.433	S	S	*	.	H	α-helix	trans	-92.2	-30.3	177.8	-73.8	173.8	-45.4	0	0	112.1	M1 N8	M1-Q4 PolarHBondContact O-N 3.47Å; Q4-N8 PolarHBondContact O-N 2.91Å
5	S	49.2	Very low	62.7	Low	60 Å²	60	78 Å²	78	42%	0.42	43%	0.432	S	S	.	.	H	α-helix	trans	-59.6	-53	171.3	42.2	0	0	0	0	110.8	S2 L7 N8 D9	S2-S5 PolarHBondContact O-OG 3.38Å; S5-L7 PolarHBondContact O-N 3.17Å; S5-L7 VanDerWaalsContact O-N 3.13Å; S5-N8 CarbonylContact O-C 3.59Å; S5-N8 WeakPolarHBondContact O-CA 3.48Å; S5-N8 WeakPolarHBondContact O-CB 3.43Å; S5-N8 PolarHBondContact O-N 2.84Å; S5-D9 VanDerWaalsContact C-OD2 3.26Å; S5-D9 PolarHBondContact O-N 3.15Å; S5-D9 VanDerWaalsContact O-OD2 3.05Å
6	S	60.5	Low	63.5	Low	54 Å²	54	81.9 Å²	81.9	38%	0.378	45%	0.446	S	S	.	.	H	α-helix	trans	-59.6	-30.4	-177.8	54.9	0	0	0	0	114.5	S3 D9 I10	S3-S6 PolarHBondContact O-OG 2.99Å; S6-D9 WeakPolarHBondContact CA-OD2 3.45Å; S6-I10 WeakPolarHBondContact O-CD1 3.4Å; S6-I10 VanDerWaalsContact O-CG1 3.29Å; S6-I10 WeakPolarHBondContact O-CG1 3.44Å; S6-I10 PolarHBondContact O-N 3.18Å
7	L	60.5	Low	64	Low	71 Å²	71	77.6 Å²	77.6	37%	0.372	42%	0.422	S	S	.	.	H	α-helix	trans	-72.9	-40.3	174.6	-70.6	172.4	0	0	0	111.7	S5 D9 S11 Q117	S5-L7 PolarHBondContact O-N 3.17Å; S5-L7 VanDerWaalsContact O-N 3.13Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-S11 WeakPolarHBondContact O-CB 3.46Å; L7-S11 PolarHBondContact O-N 2.71Å; L7-Q117 HydrophobicContact CD2-CG 4.39Å
8	N	67.5	Low	64.6	Low	102 Å²	102	74 Å²	74	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-38.9	173.3	-70	-17.6	0	0	0	111.4	Q4 S5 S11 N12	Q4-N8 PolarHBondContact O-N 2.91Å; S5-N8 CarbonylContact O-C 3.59Å; S5-N8 WeakPolarHBondContact O-CA 3.48Å; S5-N8 WeakPolarHBondContact O-CB 3.43Å; S5-N8 PolarHBondContact O-N 2.84Å; N8-S11 PolarHBondContact O-N 3.4Å; N8-N12 WeakPolarHBondContact O-CB 3.31Å; N8-N12 PolarHBondContact O-N 3.34Å; N8-N12 PolarHBondContact O-ND2 2.82Å
9	D	74.3	Confident	65.1	Low	99 Å²	99	74.6 Å²	74.6	53%	0.529	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-45.5	178.4	-59.5	-35.1	0	0	0	111.4	S5 S6 L7 N12 A13	S5-D9 VanDerWaalsContact C-OD2 3.26Å; S5-D9 PolarHBondContact O-N 3.15Å; S5-D9 VanDerWaalsContact O-OD2 3.05Å; S6-D9 WeakPolarHBondContact CA-OD2 3.45Å; L7-D9 VanDerWaalsContact C-N 3.35Å; D9-N12 PolarHBondContact O-N 2.78Å; D9-A13 WeakPolarHBondContact O-CB 3.43Å; D9-A13 PolarHBondContact O-N 3.02Å
10	I	74.6	Confident	65.6	Low	57 Å²	57	74.2 Å²	74.2	29%	0.292	40%	0.396	S	S	.	.	H	α-helix	trans	-63.1	-45.5	175	-68.4	165.2	0	0	0	111	S6 N12 A13 I14	S6-I10 WeakPolarHBondContact O-CD1 3.4Å; S6-I10 VanDerWaalsContact O-CG1 3.29Å; S6-I10 WeakPolarHBondContact O-CG1 3.44Å; S6-I10 PolarHBondContact O-N 3.18Å; I10-N12 PolarHBondContact O-N 2.78Å; I10-A13 PolarHBondContact O-N 3.36Å; I10-I14 HydrophobicContact CG2-CD1 3.81Å; I10-I14 HydrophobicContact CG2-CG1 4.49Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.28Å; I10-I14 PolarHBondContact O-N 3.1Å
11	S	77.7	Confident	66	Low	9 Å²	9	71.3 Å²	71.3	6%	0.063	38%	0.38	C	S	.	.	H	α-helix	trans	-61.1	-41.6	178.1	179.3	0	0	0	0	112.2	L7 N8 I14 R15 E111	L7-S11 WeakPolarHBondContact O-CB 3.46Å; L7-S11 PolarHBondContact O-N 2.71Å; N8-S11 PolarHBondContact O-N 3.4Å; S11-I14 PolarHBondContact O-N 3.28Å; S11-R15 WeakPolarHBondContact O-CG 3.3Å; S11-R15 PolarHBondContact O-N 2.77Å; S11-R15 PolarHBondContact OG-NH1 2.76Å; S11-R15 PolarHBondContact OG-NH2 2.94Å; S11-E111 WeakPolarHBondContact CB-OE1 3.34Å; S11-E111 PolarHBondContact OG-OE1 3.37Å
12	N	77.6	Confident	67.4	Low	78 Å²	78	62.5 Å²	62.5	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-67.4	-41.9	175.8	-71.8	-24.5	0	0	0	112.3	N8 D9 I10 R15 Q16	N8-N12 WeakPolarHBondContact O-CB 3.31Å; N8-N12 PolarHBondContact O-N 3.34Å; N8-N12 PolarHBondContact O-ND2 2.82Å; D9-N12 PolarHBondContact O-N 2.78Å; I10-N12 PolarHBondContact O-N 2.78Å; N12-R15 PolarHBondContact O-N 3.37Å; N12-Q16 WeakPolarHBondContact O-CG 3.41Å; N12-Q16 PolarHBondContact O-N 3.38Å
13	A	75.3	Confident	68.9	Low	27 Å²	27	60.2 Å²	60.2	22%	0.223	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-42.3	175	0	0	0	0	0	112.2	D9 I10 R15 Q16 E17 L66	D9-A13 WeakPolarHBondContact O-CB 3.43Å; D9-A13 PolarHBondContact O-N 3.02Å; I10-A13 PolarHBondContact O-N 3.36Å; A13-R15 PolarHBondContact O-N 2.68Å; A13-Q16 PolarHBondContact O-N 3.43Å; A13-E17 PolarHBondContact O-N 3.25Å; A13-L66 HydrophobicContact CB-CD2 4.23Å
14	I	75.4	Confident	70.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-47.6	173.3	-72.6	165.8	0	0	0	110.6	I10 S11 E17 I18 V70 E111 S118 L120	I10-I14 HydrophobicContact CG2-CD1 3.81Å; I10-I14 HydrophobicContact CG2-CG1 4.49Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.28Å; I10-I14 PolarHBondContact O-N 3.1Å; S11-I14 PolarHBondContact O-N 3.28Å; I14-E17 PolarHBondContact O-N 3.23Å; I14-I18 HydrophobicContact CG2-CD1 3.63Å; I14-I18 HydrophobicContact CG2-CG1 4.49Å; I14-I18 WeakPolarHBondContact O-CB 3.49Å; I14-I18 VanDerWaalsContact O-CG1 3.23Å; I14-I18 WeakPolarHBondContact O-CG1 3.37Å; I14-I18 PolarHBondContact O-N 3Å; I14-V70 HydrophobicContact CD1-CG1 3.92Å; I14-V70 HydrophobicContact CG1-CG1 3.57Å; I14-E111 HydrophobicContact CG2-CB 3.86Å; I14-E111 HydrophobicContact CG2-CG 3.99Å; I14-S118 VanDerWaalsContact CD1-O 3.29Å; I14-S118 WeakPolarHBondContact CD1-O 3.33Å; I14-L120 HydrophobicContact CG1-CB 4.41Å; I14-L120 HydrophobicContact CG2-CD1 4.26Å
15	R	79.2	Confident	71.5	Confident	109 Å²	109	52.2 Å²	52.2	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-41.2	178.7	-71.2	172.8	-169.7	137.4	10.9	112.8	S11 N12 A13 I18 I19 E111	S11-R15 WeakPolarHBondContact O-CG 3.3Å; S11-R15 PolarHBondContact O-N 2.77Å; S11-R15 PolarHBondContact OG-NH1 2.76Å; S11-R15 PolarHBondContact OG-NH2 2.94Å; N12-R15 PolarHBondContact O-N 3.37Å; A13-R15 PolarHBondContact O-N 2.68Å; R15-I18 PolarHBondContact O-N 3.33Å; R15-I19 WeakPolarHBondContact O-CB 3.37Å; R15-I19 WeakPolarHBondContact O-CD1 3.49Å; R15-I19 VanDerWaalsContact O-CG1 3.25Å; R15-I19 WeakPolarHBondContact O-CG1 3.37Å; R15-I19 PolarHBondContact O-N 2.82Å; R15-E111 IonicContact CZ-OE1 3.53Å; R15-E111 IonicContact CZ-OE2 3.28Å; R15-E111 IonicContact NE-OE1 3.99Å; R15-E111 IonicContact NE-OE2 3.5Å; R15-E111 PolarHBondContact NE-OE2 3.42Å; R15-E111 IonicContact NH2-OE1 3.91Å; R15-E111 PolarHBondContact NH2-OE1 2.86Å; R15-E111 IonicContact NH2-OE2 3.83Å; R15-E111 PolarHBondContact NH2-OE2 3.11Å
16	Q	75	Confident	72.6	Confident	140 Å²	140	50.9 Å²	50.9	65%	0.654	27%	0.267	S	S	*	.	H	α-helix	trans	-62.6	-42.2	176.9	-74.9	175.9	-9	0	0	111.9	N12 A13 R20	N12-Q16 WeakPolarHBondContact O-CG 3.41Å; N12-Q16 PolarHBondContact O-N 3.38Å; A13-Q16 PolarHBondContact O-N 3.43Å; Q16-R20 VanDerWaalsContact O-CB 3.3Å; Q16-R20 WeakPolarHBondContact O-CB 3.38Å; Q16-R20 PolarHBondContact O-N 3.33Å
17	E	72.5	Confident	73.3	Confident	9 Å²	9	53.3 Å²	53.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-67.7	-37.2	175.6	169.5	55.1	-165.3	0	0	112.9	A13 I14 R20 F21 T65 L66 K109	A13-E17 PolarHBondContact O-N 3.25Å; I14-E17 PolarHBondContact O-N 3.23Å; E17-R20 VanDerWaalsContact CD-NH2 3.33Å; E17-R20 PolarHBondContact O-N 3.11Å; E17-R20 IonicContact OE1-CZ 3.36Å; E17-R20 IonicContact OE1-NE 3.27Å; E17-R20 IonicContact OE1-NH2 2.86Å; E17-R20 PolarHBondContact OE1-NH2 3.33Å; E17-R20 IonicContact OE2-CZ 3.9Å; E17-R20 VanDerWaalsContact OE2-CZ 3.28Å; E17-R20 IonicContact OE2-NE 3.36Å; E17-R20 PolarHBondContact OE2-NE 3Å; E17-R20 IonicContact OE2-NH2 3.44Å; E17-R20 PolarHBondContact OE2-NH2 3.42Å; E17-F21 WeakPolarHBondContact O-CB 3.4Å; E17-F21 PolarHBondContact O-N 2.9Å; E17-T65 VanDerWaalsContact CD-OG1 3.25Å; E17-T65 WeakPolarHBondContact OE2-CB 3.42Å; E17-T65 PolarHBondContact OE2-OG1 2.8Å; E17-L66 HydrophobicContact CB-CD1 3.97Å; E17-L66 HydrophobicContact CB-CD2 3.81Å; E17-L66 HydrophobicContact CB-CG 3.85Å; E17-L66 HydrophobicContact CG-CD1 3.81Å; E17-L66 HydrophobicContact CG-CD2 4.43Å; E17-L66 HydrophobicContact CG-CG 3.91Å; E17-K109 IonicContact OE1-NZ 2.76Å; E17-K109 PolarHBondContact OE1-NZ 3.31Å
18	I	74.9	Confident	74	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-51.6	174.5	-73.8	169.9	0	0	0	110.2	I14 R15 R20 F21 E22 K109 E111 L120	I14-I18 HydrophobicContact CG2-CD1 3.63Å; I14-I18 HydrophobicContact CG2-CG1 4.49Å; I14-I18 WeakPolarHBondContact O-CB 3.49Å; I14-I18 VanDerWaalsContact O-CG1 3.23Å; I14-I18 WeakPolarHBondContact O-CG1 3.37Å; I14-I18 PolarHBondContact O-N 3Å; R15-I18 PolarHBondContact O-N 3.33Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.12Å; I18-F21 PolarHBondContact O-N 3.46Å; I18-E22 WeakPolarHBondContact CG2-OE1 3.28Å; I18-E22 WeakPolarHBondContact O-CB 3.38Å; I18-E22 VanDerWaalsContact O-CG 3.3Å; I18-E22 WeakPolarHBondContact O-CG 3.4Å; I18-E22 PolarHBondContact O-N 3.27Å; I18-K109 HydrophobicContact CG1-CB 3.99Å; I18-E111 HydrophobicContact CD1-CB 4.16Å; I18-E111 VanDerWaalsContact CD1-N 3.32Å; I18-L120 HydrophobicContact CD1-CD1 4.11Å; I18-L120 HydrophobicContact CG1-CD1 4.03Å
19	I	74.9	Confident	74.5	Confident	85 Å²	85	49.6 Å²	49.6	44%	0.436	25%	0.251	S	S	.	.	H	α-helix	trans	-57.4	-46	175.8	-70	163.7	0	0	0	111.2	R15 E22 S23 L669	R15-I19 WeakPolarHBondContact O-CB 3.37Å; R15-I19 WeakPolarHBondContact O-CD1 3.49Å; R15-I19 VanDerWaalsContact O-CG1 3.25Å; R15-I19 WeakPolarHBondContact O-CG1 3.37Å; R15-I19 PolarHBondContact O-N 2.82Å; I19-E22 PolarHBondContact O-N 2.87Å; I19-S23 WeakPolarHBondContact O-CB 3.04Å; I19-S23 PolarHBondContact O-N 3.12Å; I19-S23 PolarHBondContact O-OG 3.41Å; I19-L669 HydrophobicContact CD1-CD2 3.86Å; I19-L669 HydrophobicContact CG1-CD2 3.54Å
20	R	75.1	Confident	74.7	Confident	66 Å²	66	47 Å²	47	25%	0.249	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-49.1	179.7	-173.9	-161	67.4	92.4	-2.6	111.3	Q16 E17 I18 E22 S23 T65	Q16-R20 VanDerWaalsContact O-CB 3.3Å; Q16-R20 WeakPolarHBondContact O-CB 3.38Å; Q16-R20 PolarHBondContact O-N 3.33Å; E17-R20 VanDerWaalsContact CD-NH2 3.33Å; E17-R20 PolarHBondContact O-N 3.11Å; E17-R20 IonicContact OE1-CZ 3.36Å; E17-R20 IonicContact OE1-NE 3.27Å; E17-R20 IonicContact OE1-NH2 2.86Å; E17-R20 PolarHBondContact OE1-NH2 3.33Å; E17-R20 IonicContact OE2-CZ 3.9Å; E17-R20 VanDerWaalsContact OE2-CZ 3.28Å; E17-R20 IonicContact OE2-NE 3.36Å; E17-R20 PolarHBondContact OE2-NE 3Å; E17-R20 IonicContact OE2-NH2 3.44Å; E17-R20 PolarHBondContact OE2-NH2 3.42Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.12Å; R20-E22 PolarHBondContact O-N 3.13Å; R20-S23 PolarHBondContact O-N 3.42Å; R20-S23 PolarHBondContact O-OG 3.01Å; R20-T65 PolarHBondContact NE-OG1 2.8Å; R20-T65 PolarHBondContact NH2-OG1 2.96Å; R20-T65 VanDerWaalsContact NH2-OG1 3.15Å
21	F	72.6	Confident	75.1	Confident	14 Å²	14	47.9 Å²	47.9	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-47.6	178.2	178.5	-107.3	0	0	0	111.4	E17 I18 S23 V24 V59 K109 F665	E17-F21 WeakPolarHBondContact O-CB 3.4Å; E17-F21 PolarHBondContact O-N 2.9Å; I18-F21 PolarHBondContact O-N 3.46Å; F21-S23 VanDerWaalsContact C-N 3.31Å; F21-S23 PolarHBondContact O-N 2.96Å; F21-V24 PolarHBondContact O-N 3.32Å; F21-V59 HydrophobicContact CE2-CG2 4.28Å; F21-K109 HydrophobicContact CB-CD 3.81Å; F21-K109 HydrophobicContact CD1-CB 4.38Å; F21-K109 HydrophobicContact CD1-CD 3.73Å; F21-K109 HydrophobicContact CD1-CG 3.79Å; F21-K109 HydrophobicContact CD2-CD 4.14Å; F21-K109 HydrophobicContact CE1-CD 4.32Å; F21-K109 HydrophobicContact CE1-CG 4.04Å; F21-K109 HydrophobicContact CG-CD 3.62Å; F21-K109 HydrophobicContact CG-CG 4.22Å; F21-F665 HydrophobicContact CE1-CE1 4.37Å; F21-F665 HydrophobicContact CZ-CE1 4.35Å
22	E	72.2	Confident	75.4	Confident	11 Å²	11	49.5 Å²	49.5	5%	0.051	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-36.3	177.7	-73.8	177.7	-140.3	0	0	113.4	I18 I19 R20 V24 P26 N667 L669 T670	I18-E22 WeakPolarHBondContact CG2-OE1 3.28Å; I18-E22 WeakPolarHBondContact O-CB 3.38Å; I18-E22 VanDerWaalsContact O-CG 3.3Å; I18-E22 WeakPolarHBondContact O-CG 3.4Å; I18-E22 PolarHBondContact O-N 3.27Å; I19-E22 PolarHBondContact O-N 2.87Å; R20-E22 PolarHBondContact O-N 3.13Å; E22-V24 PolarHBondContact O-N 3.1Å; E22-P26 WeakPolarHBondContact O-CD 3.37Å; E22-N667 HydrophobicContact CG-CB 3.97Å; E22-N667 WeakPolarHBondContact OE1-CB 3.45Å; E22-N667 PolarHBondContact OE1-ND2 2.83Å; E22-N667 WeakPolarHBondContact OE2-CB 3.3Å; E22-L669 WeakPolarHBondContact OE2-CB 3.34Å; E22-T670 HydrophobicContact CB-CG2 3.9Å; E22-T670 VanDerWaalsContact CD-OG1 3.25Å; E22-T670 HydrophobicContact CG-CG2 4.36Å; E22-T670 WeakPolarHBondContact CG-OG1 3.44Å; E22-T670 PolarHBondContact OE2-N 2.83Å; E22-T670 PolarHBondContact OE2-OG1 3.03Å
23	S	70.1	Confident	75.7	Confident	57 Å²	57	51.5 Å²	51.5	40%	0.399	26%	0.263	S	S	.	.	H	α-helix	trans	-68.9	-13.7	179.6	72.7	0	0	0	0	114.7	I19 R20 F21 N27	I19-S23 WeakPolarHBondContact O-CB 3.04Å; I19-S23 PolarHBondContact O-N 3.12Å; I19-S23 PolarHBondContact O-OG 3.41Å; R20-S23 PolarHBondContact O-N 3.42Å; R20-S23 PolarHBondContact O-OG 3.01Å; F21-S23 VanDerWaalsContact C-N 3.31Å; F21-S23 PolarHBondContact O-N 2.96Å; S23-N27 PolarHBondContact O-ND2 3.13Å
24	V	70.3	Confident	76.2	Confident	34 Å²	34	56.1 Å²	56.1	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-72	-41	179.4	174.3	0	0	0	0	111.4	F21 E22 N27 I28	F21-V24 PolarHBondContact O-N 3.32Å; E22-V24 PolarHBondContact O-N 3.1Å; V24-N27 WeakPolarHBondContact O-CB 3.31Å; V24-N27 PolarHBondContact O-N 3.43Å; V24-N27 VanDerWaalsContact O-N 3.07Å; V24-I28 HydrophobicContact CG1-CD1 3.55Å; V24-I28 HydrophobicContact CG1-CG1 3.97Å; V24-I28 PolarHBondContact O-N 2.84Å
25	H	71.2	Confident	76.7	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-43.1	-171.2	-63.2	-75.6	0	0	0	114.4	N27 I28 Y29 E55 F665	H25-N27 PolarHBondContact O-N 2.92Å; H25-I28 PolarHBondContact O-N 3.08Å; H25-I28 VanDerWaalsContact O-N 3.11Å; H25-Y29 HydrophobicContact CB-CD2 4.41Å; H25-Y29 HydrophobicContact CB-CE2 3.95Å; H25-Y29 WeakPolarHBondContact O-CD2 3.46Å; H25-Y29 PolarHBondContact O-N 3.19Å; H25-E55 IonicContact CE1-OE1 3.73Å; H25-E55 IonicContact ND1-OE1 2.7Å; H25-E55 PolarHBondContact ND1-OE1 3.37Å; H25-F665 HydrophobicContact CB-CG 4.45Å; H25-F665 AromaticContact CD2-CD1 3.64Å; H25-F665 AromaticContact CD2-CE1 3.91Å; H25-F665 AromaticContact CD2-CG 3.9Å; H25-F665 AromaticContact CE1-CD1 3.85Å; H25-F665 AromaticContact CE1-CD2 3.84Å; H25-F665 AromaticContact CE1-CE1 3.45Å; H25-F665 VanDerWaalsContact CE1-CE1 3.45Å; H25-F665 WeakPolarHBondContact CE1-CE1 3.23Å; H25-F665 AromaticContact CE1-CE2 3.43Å; H25-F665 VanDerWaalsContact CE1-CE2 3.43Å; H25-F665 WeakPolarHBondContact CE1-CE2 3.49Å; H25-F665 AromaticContact CE1-CZ 3.23Å; H25-F665 WeakPolarHBondContact CE1-CZ 3.23Å; H25-F665 AromaticContact CG-CD2 3.92Å; H25-F665 AromaticContact CG-CG 3.78Å; H25-F665 AromaticContact ND1-CD2 3.58Å; H25-F665 AromaticContact ND1-CE2 3.55Å; H25-F665 AromaticContact ND1-CG 3.88Å; H25-F665 AromaticContact ND1-CZ 3.83Å; H25-F665 AromaticContact NE2-CD1 3.55Å; H25-F665 AromaticContact NE2-CE1 3.3Å; H25-F665 VanDerWaalsContact NE2-CE1 3.3Å; H25-F665 WeakPolarHBondContact NE2-CE1 3.5Å; H25-F665 AromaticContact NE2-CZ 3.62Å
26	P	73.2	Confident	77.1	Confident	32 Å²	32	56.4 Å²	56.4	21%	0.208	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-34.2	172	-26.9	35.7	0	0	0	113.9	E22 A30 I674	E22-P26 WeakPolarHBondContact O-CD 3.37Å; P26-A30 WeakPolarHBondContact O-CB 3.44Å; P26-A30 PolarHBondContact O-N 3.45Å; P26-I674 HydrophobicContact CG-CD1 4.2Å; P26-I674 HydrophobicContact CG-CG1 4.08Å
27	N	75.1	Confident	77.6	Confident	106 Å²	106	53.4 Å²	53.4	57%	0.567	29%	0.292	S	S	*	.	H	α-helix	trans	-73.9	-38.6	176.8	-69.8	-81.4	0	0	0	111.7	S23 V24 H25 A30 I31	S23-N27 PolarHBondContact O-ND2 3.13Å; V24-N27 WeakPolarHBondContact O-CB 3.31Å; V24-N27 PolarHBondContact O-N 3.43Å; V24-N27 VanDerWaalsContact O-N 3.07Å; H25-N27 PolarHBondContact O-N 2.92Å; N27-A30 PolarHBondContact O-N 3.03Å; N27-I31 WeakPolarHBondContact O-CD1 3.39Å; N27-I31 VanDerWaalsContact O-CG1 3.25Å; N27-I31 WeakPolarHBondContact O-CG1 3.33Å; N27-I31 PolarHBondContact O-N 3.42Å
28	I	76.2	Confident	78.3	Confident	10 Å²	10	55.1 Å²	55.1	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-46.6	173.6	-71.2	179	0	0	0	110.9	V24 H25 A30 I31 Y32 V51 E55	V24-I28 HydrophobicContact CG1-CD1 3.55Å; V24-I28 HydrophobicContact CG1-CG1 3.97Å; V24-I28 PolarHBondContact O-N 2.84Å; H25-I28 PolarHBondContact O-N 3.08Å; H25-I28 VanDerWaalsContact O-N 3.11Å; I28-A30 PolarHBondContact O-N 3.14Å; I28-I31 PolarHBondContact O-N 3.49Å; I28-I31 VanDerWaalsContact O-N 3.11Å; I28-Y32 HydrophobicContact CG2-CD2 3.83Å; I28-Y32 HydrophobicContact CG2-CE2 3.4Å; I28-Y32 VanDerWaalsContact CG2-CE2 3.4Å; I28-Y32 WeakPolarHBondContact O-CD2 3.35Å; I28-Y32 PolarHBondContact O-N 3.01Å; I28-V51 HydrophobicContact CG2-CG1 3.97Å; I28-E55 HydrophobicContact CD1-CB 3.88Å; I28-E55 HydrophobicContact CD1-CG 3.79Å
29	Y	76.2	Confident	78.9	Confident	85 Å²	85	63.8 Å²	63.8	33%	0.333	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-41.3	177.3	-63.7	-51.4	0	0	0	112.5	H25 I31 Y32 D33	H25-Y29 HydrophobicContact CB-CD2 4.41Å; H25-Y29 HydrophobicContact CB-CE2 3.95Å; H25-Y29 WeakPolarHBondContact O-CD2 3.46Å; H25-Y29 PolarHBondContact O-N 3.19Å; Y29-I31 PolarHBondContact O-N 3.14Å; Y29-Y32 HydrophobicContact CD1-CD2 4.25Å; Y29-Y32 PolarHBondContact O-N 3.27Å; Y29-D33 PolarHBondContact O-N 3.37Å
30	A	79.1	Confident	79.7	Confident	45 Å²	45	63.5 Å²	63.5	37%	0.372	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-30.6	173.4	0	0	0	0	0	113.1	P26 N27 I28 L34	P26-A30 WeakPolarHBondContact O-CB 3.44Å; P26-A30 PolarHBondContact O-N 3.45Å; N27-A30 PolarHBondContact O-N 3.03Å; I28-A30 PolarHBondContact O-N 3.14Å; A30-L34 VanDerWaalsContact O-CG 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.48Å; A30-L34 PolarHBondContact O-N 3.02Å; A30-L34 VanDerWaalsContact O-N 3.16Å
31	I	82.5	Confident	80.3	Confident	75 Å²	75	68.5 Å²	68.5	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-72.4	-38.9	172.1	-63.8	160.8	0	0	0	110.6	N27 I28 Y29 L34 I35 V51	N27-I31 WeakPolarHBondContact O-CD1 3.39Å; N27-I31 VanDerWaalsContact O-CG1 3.25Å; N27-I31 WeakPolarHBondContact O-CG1 3.33Å; N27-I31 PolarHBondContact O-N 3.42Å; I28-I31 PolarHBondContact O-N 3.49Å; I28-I31 VanDerWaalsContact O-N 3.11Å; Y29-I31 PolarHBondContact O-N 3.14Å; I31-L34 PolarHBondContact O-N 3.04Å; I31-I35 HydrophobicContact CG2-CD1 3.83Å; I31-I35 HydrophobicContact CG2-CG1 4.37Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.36Å; I31-I35 PolarHBondContact O-N 3.32Å; I31-V51 HydrophobicContact CG2-CG2 3.56Å
32	Y	85.6	Confident	81.1	Confident	42 Å²	42	73.7 Å²	73.7	17%	0.165	40%	0.395	C	S	.	.	H	α-helix	trans	-62	-43.3	172.8	-72.2	-54	0	0	0	112.2	I28 Y29 L34 I35 D36 R48 V51 V52	I28-Y32 HydrophobicContact CG2-CD2 3.83Å; I28-Y32 HydrophobicContact CG2-CE2 3.4Å; I28-Y32 VanDerWaalsContact CG2-CE2 3.4Å; I28-Y32 WeakPolarHBondContact O-CD2 3.35Å; I28-Y32 PolarHBondContact O-N 3.01Å; Y29-Y32 HydrophobicContact CD1-CD2 4.25Å; Y29-Y32 PolarHBondContact O-N 3.27Å; Y32-L34 VanDerWaalsContact C-N 3.29Å; Y32-L34 PolarHBondContact O-N 2.9Å; Y32-I35 HydrophobicContact CD1-CD1 4.34Å; Y32-I35 WeakPolarHBondContact O-CB 3.4Å; Y32-I35 PolarHBondContact O-N 2.78Å; Y32-D36 PolarHBondContact O-N 2.86Å; Y32-R48 HydrophobicContact CD1-CG 4.37Å; Y32-R48 HydrophobicContact CE1-CB 4.41Å; Y32-R48 HydrophobicContact CE1-CG 4.35Å; Y32-V51 HydrophobicContact CD1-CG1 4.4Å; Y32-V51 HydrophobicContact CE1-CB 4.04Å; Y32-V51 HydrophobicContact CE1-CG1 3.75Å; Y32-V51 HydrophobicContact CE2-CG1 4.02Å; Y32-V52 VanDerWaalsContact OH-CG2 3.3Å; Y32-V52 WeakPolarHBondContact OH-CG2 3.18Å
33	D	82.9	Confident	82	Confident	120 Å²	120	77.3 Å²	77.3	64%	0.642	41%	0.414	S	S	*	.	H	α-helix	trans	-57.4	-40.7	173.5	-73.6	-31.3	0	0	0	112.1	Y29 D36 A37	Y29-D33 PolarHBondContact O-N 3.37Å; D33-D36 PolarHBondContact O-N 2.97Å; D33-A37 PolarHBondContact O-N 2.93Å
34	L	85.9	Confident	82.8	Confident	124 Å²	124	75 Å²	75	65%	0.649	40%	0.398	S	S	*	.	H	α-helix	trans	-69.1	-32.4	175.1	-72.6	169.7	0	0	0	112.8	A30 I31 Y32 A37	A30-L34 VanDerWaalsContact O-CG 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.48Å; A30-L34 PolarHBondContact O-N 3.02Å; A30-L34 VanDerWaalsContact O-N 3.16Å; I31-L34 PolarHBondContact O-N 3.04Å; Y32-L34 VanDerWaalsContact C-N 3.29Å; Y32-L34 PolarHBondContact O-N 2.9Å; L34-A37 PolarHBondContact O-N 2.63Å
35	I	85.9	Confident	83.7	Confident	7 Å²	7	79.1 Å²	79.1	4%	0.036	42%	0.415	C	S	.	.	H	α-helix	trans	-72.3	-37	174.8	-69.2	163.5	0	0	0	111.2	I31 Y32 A37 V38 A44 L47 R48 V51	I31-I35 HydrophobicContact CG2-CD1 3.83Å; I31-I35 HydrophobicContact CG2-CG1 4.37Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.36Å; I31-I35 PolarHBondContact O-N 3.32Å; Y32-I35 HydrophobicContact CD1-CD1 4.34Å; Y32-I35 WeakPolarHBondContact O-CB 3.4Å; Y32-I35 PolarHBondContact O-N 2.78Å; I35-A37 PolarHBondContact O-N 2.83Å; I35-V38 WeakPolarHBondContact O-CB 3.49Å; I35-V38 PolarHBondContact O-N 2.73Å; I35-A44 HydrophobicContact CG2-CB 3.87Å; I35-A44 WeakPolarHBondContact CG2-O 3.23Å; I35-L47 HydrophobicContact CD1-CB 3.7Å; I35-L47 HydrophobicContact CG1-CB 3.78Å; I35-L47 HydrophobicContact CG1-CD1 4.26Å; I35-L47 HydrophobicContact CG2-CB 4.44Å; I35-R48 HydrophobicContact CD1-CG 4.43Å; I35-R48 HydrophobicContact CG2-CG 3.69Å; I35-V51 HydrophobicContact CD1-CG2 3.83Å
36	D	86.7	Confident	84.6	Confident	109 Å²	109	82.4 Å²	82.4	58%	0.583	44%	0.438	S	S	*	.	H	α-helix	trans	-65.9	-18.2	172.6	-85.8	-71	0	0	0	113.3	Y32 D33 R48	Y32-D36 PolarHBondContact O-N 2.86Å; D33-D36 PolarHBondContact O-N 2.97Å; D36-R48 IonicContact OD1-CZ 3.2Å; D36-R48 IonicContact OD1-NH1 2.8Å; D36-R48 IonicContact OD1-NH2 3.94Å; D36-R48 PolarHBondContact OD1-NH2 2.98Å; D36-R48 IonicContact OD2-CZ 3.81Å; D36-R48 VanDerWaalsContact OD2-CZ 3.29Å; D36-R48 IonicContact OD2-NH1 2.8Å; D36-R48 PolarHBondContact OD2-NH1 3.03Å; D36-R48 IonicContact OD2-NH2 2.77Å; D36-R48 PolarHBondContact OD2-NH2 3.23Å
37	A	86.8	Confident	85.4	Confident	76 Å²	76	83.7 Å²	83.7	63%	0.628	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-3	170.7	0	0	0	0	0	114.5	D33 L34 I35	D33-A37 PolarHBondContact O-N 2.93Å; L34-A37 PolarHBondContact O-N 2.63Å; I35-A37 PolarHBondContact O-N 2.83Å
38	V	87.4	Confident	86.1	Confident	46 Å²	46	81.7 Å²	81.7	28%	0.279	43%	0.428	S	S	.	.			trans	-85.5	118.7	179.3	179	0	0	0	0	111	I35 D40 L43 A44	I35-V38 WeakPolarHBondContact O-CB 3.49Å; I35-V38 PolarHBondContact O-N 2.73Å; V38-D40 HydrophobicContact CG1-CB 4.47Å; V38-D40 PolarHBondContact O-N 3.41Å; V38-L43 HydrophobicContact CG1-CB 4.35Å; V38-L43 HydrophobicContact CG1-CD2 4.08Å; V38-L43 HydrophobicContact CG1-CG 4.27Å; V38-A44 HydrophobicContact CB-CB 4.19Å; V38-A44 HydrophobicContact CG1-CB 4.36Å
39	E	87.9	Confident	86.6	Confident	194 Å²	194	87.1 Å²	87.1	91%	0.907	45%	0.453	S	S	*	.	S	Bend	trans	-66.3	-33.6	180	-61.6	-172.2	166.7	0	0	113.7	K41	E39-K41 PolarHBondContact O-N 3.21Å
40	D	90.7	Very high	87.1	Confident	79 Å²	79	88 Å²	88	42%	0.422	46%	0.463	S	S	.	.			trans	-79.2	106.3	174.6	178.7	12.1	0	0	0	111.4	V38 N42 L43 A44	V38-D40 HydrophobicContact CG1-CB 4.47Å; V38-D40 PolarHBondContact O-N 3.41Å; D40-N42 VanDerWaalsContact C-N 3.26Å; D40-N42 PolarHBondContact O-N 2.99Å; D40-N42 WeakPolarHBondContact OD1-CB 3.42Å; D40-N42 PolarHBondContact OD1-N 3.41Å; D40-N42 PolarHBondContact OD1-ND2 3.44Å; D40-N42 VanDerWaalsContact OD1-ND2 3.1Å; D40-L43 HydrophobicContact CB-CB 4.1Å; D40-L43 PolarHBondContact O-N 2.99Å; D40-A44 WeakPolarHBondContact O-CB 3.45Å; D40-A44 PolarHBondContact O-N 3.15Å
41	K	88.1	Confident	87.4	Confident	172 Å²	172	86.6 Å²	86.6	75%	0.748	45%	0.449	S	S	*	.	H	α-helix	trans	-61.6	-29.1	179.4	-59.5	-169.5	177.3	-167.8	0	114.1	E39 E45	E39-K41 PolarHBondContact O-N 3.21Å; K41-E45 WeakPolarHBondContact O-CB 3.27Å; K41-E45 PolarHBondContact O-N 2.81Å
42	N	89.1	Confident	87.4	Confident	122 Å²	122	85.8 Å²	85.8	65%	0.652	45%	0.448	S	S	*	.	H	α-helix	trans	-74.5	-42	-179.6	-53.3	-69.5	0	0	0	110.6	D40 S46	D40-N42 VanDerWaalsContact C-N 3.26Å; D40-N42 PolarHBondContact O-N 2.99Å; D40-N42 WeakPolarHBondContact OD1-CB 3.42Å; D40-N42 PolarHBondContact OD1-N 3.41Å; D40-N42 PolarHBondContact OD1-ND2 3.44Å; D40-N42 VanDerWaalsContact OD1-ND2 3.1Å; N42-S46 WeakPolarHBondContact O-CB 3.36Å; N42-S46 PolarHBondContact O-N 3.28Å; N42-S46 PolarHBondContact O-OG 3.45Å
43	L	90.6	Very high	87.2	Confident	87 Å²	87	87.2 Å²	87.2	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-63.7	-45.6	171.1	179.1	59.6	0	0	0	110.8	V38 D40 E45 S46 L47	V38-L43 HydrophobicContact CG1-CB 4.35Å; V38-L43 HydrophobicContact CG1-CD2 4.08Å; V38-L43 HydrophobicContact CG1-CG 4.27Å; D40-L43 HydrophobicContact CB-CB 4.1Å; D40-L43 PolarHBondContact O-N 2.99Å; L43-E45 PolarHBondContact O-N 3.27Å; L43-S46 PolarHBondContact O-N 2.7Å; L43-L47 HydrophobicContact CD1-CD1 4.1Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CG-CD1 3.97Å; L43-L47 HydrophobicContact CG-CG 4.44Å; L43-L47 WeakPolarHBondContact O-CB 3.23Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 3.41Å
44	A	88	Confident	87	Confident	8 Å²	8	85.7 Å²	85.7	7%	0.066	46%	0.455	C	S	.	.	H	α-helix	trans	-57.6	-49.7	178.4	0	0	0	0	0	112	I35 V38 D40 S46 L47 R48	I35-A44 HydrophobicContact CG2-CB 3.87Å; I35-A44 WeakPolarHBondContact CG2-O 3.23Å; V38-A44 HydrophobicContact CB-CB 4.19Å; V38-A44 HydrophobicContact CG1-CB 4.36Å; D40-A44 WeakPolarHBondContact O-CB 3.45Å; D40-A44 PolarHBondContact O-N 3.15Å; A44-S46 PolarHBondContact O-N 3.41Å; A44-L47 PolarHBondContact O-N 3.03Å; A44-R48 WeakPolarHBondContact O-CG 3.17Å; A44-R48 PolarHBondContact O-N 3.46Å
45	E	89.2	Confident	86.4	Confident	122 Å²	122	81.5 Å²	81.5	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-63.2	-41.3	178.3	-166	64.1	-165.9	0	0	112.1	K41 L43 L47 R48 Q49	K41-E45 WeakPolarHBondContact O-CB 3.27Å; K41-E45 PolarHBondContact O-N 2.81Å; L43-E45 PolarHBondContact O-N 3.27Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.24Å; E45-R48 PolarHBondContact O-N 3.24Å; E45-Q49 PolarHBondContact O-N 3.04Å
46	S	89.7	Confident	85.6	Confident	70 Å²	70	85.2 Å²	85.2	49%	0.49	45%	0.452	S	S	.	.	H	α-helix	trans	-61.3	-39.1	175.2	-57.8	0	0	0	0	112	N42 L43 A44 L50	N42-S46 WeakPolarHBondContact O-CB 3.36Å; N42-S46 PolarHBondContact O-N 3.28Å; N42-S46 PolarHBondContact O-OG 3.45Å; L43-S46 PolarHBondContact O-N 2.7Å; A44-S46 PolarHBondContact O-N 3.41Å; S46-L50 WeakPolarHBondContact O-CG 3.36Å; S46-L50 PolarHBondContact O-N 2.83Å; S46-L50 VanDerWaalsContact O-N 3.13Å
47	L	89.3	Confident	84.7	Confident	59 Å²	59	82.9 Å²	82.9	31%	0.309	45%	0.447	S	S	.	.	H	α-helix	trans	-69	-41.6	174.7	-70.1	170.1	0	0	0	111.6	I35 L43 A44 E45 Q49 L50 V51	I35-L47 HydrophobicContact CD1-CB 3.7Å; I35-L47 HydrophobicContact CG1-CB 3.78Å; I35-L47 HydrophobicContact CG1-CD1 4.26Å; I35-L47 HydrophobicContact CG2-CB 4.44Å; L43-L47 HydrophobicContact CD1-CD1 4.1Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CG-CD1 3.97Å; L43-L47 HydrophobicContact CG-CG 4.44Å; L43-L47 WeakPolarHBondContact O-CB 3.23Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 3.41Å; A44-L47 PolarHBondContact O-N 3.03Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.24Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 2.68Å; L47-L50 PolarHBondContact O-N 2.9Å; L47-V51 WeakPolarHBondContact O-CG2 3.26Å; L47-V51 PolarHBondContact O-N 3.21Å
48	R	89.2	Confident	83.8	Confident	64 Å²	64	83.2 Å²	83.2	24%	0.242	44%	0.435	C	S	.	.	H	α-helix	trans	-59.1	-45.8	173.8	-65	-166.4	-159.1	-89.6	-0.1	111.1	Y32 I35 D36 A44 E45 L50 V51 V52	Y32-R48 HydrophobicContact CD1-CG 4.37Å; Y32-R48 HydrophobicContact CE1-CB 4.41Å; Y32-R48 HydrophobicContact CE1-CG 4.35Å; I35-R48 HydrophobicContact CD1-CG 4.43Å; I35-R48 HydrophobicContact CG2-CG 3.69Å; D36-R48 IonicContact OD1-CZ 3.2Å; D36-R48 IonicContact OD1-NH1 2.8Å; D36-R48 IonicContact OD1-NH2 3.94Å; D36-R48 PolarHBondContact OD1-NH2 2.98Å; D36-R48 IonicContact OD2-CZ 3.81Å; D36-R48 VanDerWaalsContact OD2-CZ 3.29Å; D36-R48 IonicContact OD2-NH1 2.8Å; D36-R48 PolarHBondContact OD2-NH1 3.03Å; D36-R48 IonicContact OD2-NH2 2.77Å; D36-R48 PolarHBondContact OD2-NH2 3.23Å; A44-R48 WeakPolarHBondContact O-CG 3.17Å; A44-R48 PolarHBondContact O-N 3.46Å; E45-R48 PolarHBondContact O-N 3.24Å; R48-L50 VanDerWaalsContact C-N 3.28Å; R48-L50 PolarHBondContact O-N 2.97Å; R48-V51 PolarHBondContact O-N 3.4Å; R48-V51 VanDerWaalsContact O-N 3.14Å; R48-V52 WeakPolarHBondContact O-CG2 3.46Å; R48-V52 PolarHBondContact O-N 3.35Å
49	Q	87.1	Confident	82.7	Confident	124 Å²	124	82.3 Å²	82.3	58%	0.579	43%	0.429	S	S	*	.	H	α-helix	trans	-63.7	-34.3	-179.4	-173.1	58.8	90	0	0	112.5	E45 L47 S53	E45-Q49 PolarHBondContact O-N 3.04Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 2.68Å; Q49-S53 WeakPolarHBondContact O-CB 3.43Å; Q49-S53 PolarHBondContact O-N 2.95Å; Q49-S53 VanDerWaalsContact O-N 3.09Å
50	L	87.5	Confident	81.1	Confident	104 Å²	104	76.3 Å²	76.3	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-68.2	-44.7	171	-74.6	168.1	0	0	0	112.1	S46 L47 R48 S53 I54	S46-L50 WeakPolarHBondContact O-CG 3.36Å; S46-L50 PolarHBondContact O-N 2.83Å; S46-L50 VanDerWaalsContact O-N 3.13Å; L47-L50 PolarHBondContact O-N 2.9Å; R48-L50 VanDerWaalsContact C-N 3.28Å; R48-L50 PolarHBondContact O-N 2.97Å; L50-S53 PolarHBondContact O-N 3.31Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.26Å; L50-I54 PolarHBondContact O-N 3.45Å
51	V	85.7	Confident	79.6	Confident	14 Å²	14	73.9 Å²	73.9	9%	0.085	39%	0.393	C	S	.	.	H	α-helix	trans	-63.9	-43.6	177.9	175.1	0	0	0	0	111.3	I28 I31 Y32 I35 L47 R48 S53 I54 E55	I28-V51 HydrophobicContact CG2-CG1 3.97Å; I31-V51 HydrophobicContact CG2-CG2 3.56Å; Y32-V51 HydrophobicContact CD1-CG1 4.4Å; Y32-V51 HydrophobicContact CE1-CB 4.04Å; Y32-V51 HydrophobicContact CE1-CG1 3.75Å; Y32-V51 HydrophobicContact CE2-CG1 4.02Å; I35-V51 HydrophobicContact CD1-CG2 3.83Å; L47-V51 WeakPolarHBondContact O-CG2 3.26Å; L47-V51 PolarHBondContact O-N 3.21Å; R48-V51 PolarHBondContact O-N 3.4Å; R48-V51 VanDerWaalsContact O-N 3.14Å; V51-S53 VanDerWaalsContact C-N 3.31Å; V51-S53 PolarHBondContact O-N 3.46Å; V51-I54 PolarHBondContact O-N 3.13Å; V51-I54 VanDerWaalsContact O-N 3.16Å; V51-E55 WeakPolarHBondContact O-CB 3.2Å; V51-E55 PolarHBondContact O-N 2.82Å
52	V	82.1	Confident	77.9	Confident	59 Å²	59	69.4 Å²	69.4	36%	0.358	37%	0.374	S	S	.	.	H	α-helix	trans	-58.4	-43.8	172.9	171.5	0	0	0	0	110.7	Y32 R48 I54 E55 D56	Y32-V52 VanDerWaalsContact OH-CG2 3.3Å; Y32-V52 WeakPolarHBondContact OH-CG2 3.18Å; R48-V52 WeakPolarHBondContact O-CG2 3.46Å; R48-V52 PolarHBondContact O-N 3.35Å; V52-I54 VanDerWaalsContact C-N 3.32Å; V52-I54 PolarHBondContact O-N 3.28Å; V52-E55 PolarHBondContact O-N 2.93Å; V52-D56 WeakPolarHBondContact O-CB 3.34Å; V52-D56 PolarHBondContact O-N 2.71Å
53	S	80.5	Confident	76.1	Confident	71 Å²	71	70.7 Å²	70.7	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-66.3	-32.2	177.7	-173.6	0	0	0	0	113.2	Q49 L50 V51 A57	Q49-S53 WeakPolarHBondContact O-CB 3.43Å; Q49-S53 PolarHBondContact O-N 2.95Å; Q49-S53 VanDerWaalsContact O-N 3.09Å; L50-S53 PolarHBondContact O-N 3.31Å; V51-S53 VanDerWaalsContact C-N 3.31Å; V51-S53 PolarHBondContact O-N 3.46Å; S53-A57 WeakPolarHBondContact O-CB 3.48Å; S53-A57 PolarHBondContact O-N 3.03Å
54	I	78.6	Confident	74.2	Confident	89 Å²	89	75.8 Å²	75.8	46%	0.456	39%	0.39	S	S	.	.	H	α-helix	trans	-72.1	-44.8	173.4	-69.9	163.8	0	0	0	110.1	L50 V51 V52 A57 F58	L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.26Å; L50-I54 PolarHBondContact O-N 3.45Å; V51-I54 PolarHBondContact O-N 3.13Å; V51-I54 VanDerWaalsContact O-N 3.16Å; V52-I54 VanDerWaalsContact C-N 3.32Å; V52-I54 PolarHBondContact O-N 3.28Å; I54-A57 PolarHBondContact O-N 3.08Å; I54-A57 VanDerWaalsContact O-N 3.16Å; I54-F58 HydrophobicContact CG2-CD2 3.78Å; I54-F58 HydrophobicContact CG2-CE2 3.99Å; I54-F58 WeakPolarHBondContact O-CD2 3.45Å; I54-F58 PolarHBondContact O-N 2.82Å
55	E	74.1	Confident	72.5	Confident	36 Å²	36	78.4 Å²	78.4	17%	0.168	41%	0.405	C	S	.	.	H	α-helix	trans	-58.2	-50.7	176	-173.5	158.5	-152.9	0	0	110.3	H25 I28 V51 V52 A57 F58 V59	H25-E55 IonicContact CE1-OE1 3.73Å; H25-E55 IonicContact ND1-OE1 2.7Å; H25-E55 PolarHBondContact ND1-OE1 3.37Å; I28-E55 HydrophobicContact CD1-CB 3.88Å; I28-E55 HydrophobicContact CD1-CG 3.79Å; V51-E55 WeakPolarHBondContact O-CB 3.2Å; V51-E55 PolarHBondContact O-N 2.82Å; V52-E55 PolarHBondContact O-N 2.93Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 3.4Å; E55-F58 PolarHBondContact O-N 2.55Å; E55-V59 HydrophobicContact CG-CG2 4Å; E55-V59 WeakPolarHBondContact O-CB 3.47Å; E55-V59 VanDerWaalsContact O-CG2 3.23Å; E55-V59 WeakPolarHBondContact O-CG2 3.44Å; E55-V59 PolarHBondContact O-N 3.34Å
56	D	68.5	Low	70.9	Confident	85 Å²	85	74.7 Å²	74.7	46%	0.455	39%	0.389	S	S	.	.	H	α-helix	trans	-55.1	-46.9	172.5	-108.6	-38.3	0	0	0	111.5	V52 F58 V59 N60	V52-D56 WeakPolarHBondContact O-CB 3.34Å; V52-D56 PolarHBondContact O-N 2.71Å; D56-F58 PolarHBondContact O-N 2.76Å; D56-V59 PolarHBondContact O-N 3.16Å; D56-N60 WeakPolarHBondContact O-CB 3.21Å; D56-N60 PolarHBondContact O-N 3.35Å; D56-N60 PolarHBondContact O-ND2 3.45Å; D56-N60 PolarHBondContact OD1-ND2 2.87Å
57	A	69.4	Low	69.2	Low	59 Å²	59	75.6 Å²	75.6	49%	0.488	40%	0.396	S	S	.	.	H	α-helix	trans	-60.4	-43.8	179.6	0	0	0	0	0	112.5	S53 I54 E55 S61	S53-A57 WeakPolarHBondContact O-CB 3.48Å; S53-A57 PolarHBondContact O-N 3.03Å; I54-A57 PolarHBondContact O-N 3.08Å; I54-A57 VanDerWaalsContact O-N 3.16Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 3.4Å; A57-S61 WeakPolarHBondContact O-CB 3.49Å; A57-S61 PolarHBondContact O-N 2.98Å; A57-S61 VanDerWaalsContact O-N 3.11Å
58	F	66.9	Low	67.8	Low	84 Å²	84	79.4 Å²	79.4	37%	0.368	42%	0.416	S	S	.	.	H	α-helix	trans	-75.6	-32.6	179.1	-85.8	-83.1	0	0	0	113.7	I54 E55 D56	I54-F58 HydrophobicContact CG2-CD2 3.78Å; I54-F58 HydrophobicContact CG2-CE2 3.99Å; I54-F58 WeakPolarHBondContact O-CD2 3.45Å; I54-F58 PolarHBondContact O-N 2.82Å; E55-F58 PolarHBondContact O-N 2.55Å; D56-F58 PolarHBondContact O-N 2.76Å
59	V	63.3	Low	66.5	Low	26 Å²	26	79.3 Å²	79.3	16%	0.158	44%	0.435	C	S	.	.	H	α-helix	trans	-88.5	-20.7	-176.7	173.4	0	0	0	0	112.3	F21 E55 D56 R107	F21-V59 HydrophobicContact CE2-CG2 4.28Å; E55-V59 HydrophobicContact CG-CG2 4Å; E55-V59 WeakPolarHBondContact O-CB 3.47Å; E55-V59 VanDerWaalsContact O-CG2 3.23Å; E55-V59 WeakPolarHBondContact O-CG2 3.44Å; E55-V59 PolarHBondContact O-N 3.34Å; D56-V59 PolarHBondContact O-N 3.16Å; V59-R107 HydrophobicContact CG1-CB 4.25Å; V59-R107 HydrophobicContact CG1-CG 4.43Å; V59-R107 PolarHBondContact O-NH1 3.49Å
60	N	55.2	Low	65.6	Low	69 Å²	69	74.6 Å²	74.6	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-85.4	-27.9	165.2	-69.3	-72.6	0	0	0	112.8	D56 Q62 R107	D56-N60 WeakPolarHBondContact O-CB 3.21Å; D56-N60 PolarHBondContact O-N 3.35Å; D56-N60 PolarHBondContact O-ND2 3.45Å; D56-N60 PolarHBondContact OD1-ND2 2.87Å; N60-Q62 PolarHBondContact O-N 3.4Å; N60-R107 VanDerWaalsContact CG-NH1 3.31Å; N60-R107 VanDerWaalsContact OD1-CZ 3.27Å; N60-R107 PolarHBondContact OD1-NH1 2.79Å; N60-R107 PolarHBondContact OD1-NH2 3.4Å
61	S	58.4	Low	65	Low	27 Å²	27	71.6 Å²	71.6	19%	0.189	40%	0.401	C	S	.	.			trans	-76.9	116.5	-177.8	-174.3	0	0	0	0	113.6	A57 E63 W64	A57-S61 WeakPolarHBondContact O-CB 3.49Å; A57-S61 PolarHBondContact O-N 2.98Å; A57-S61 VanDerWaalsContact O-N 3.11Å; S61-E63 PolarHBondContact OG-N 3.27Å; S61-W64 PolarHBondContact OG-NE1 3.46Å; S61-W64 VanDerWaalsContact OG-NE1 3.15Å
62	Q	52.8	Low	64.8	Low	78 Å²	78	71.7 Å²	71.7	36%	0.364	41%	0.405	S	S	.	.			trans	-87.4	-15.1	171.2	-170.8	178.7	-11.6	0	0	112.6	N60 L122	N60-Q62 PolarHBondContact O-N 3.4Å; Q62-L122 HydrophobicContact CG-CD1 4.02Å
63	E	52.2	Low	65.1	Low	150 Å²	150	68.9 Å²	68.9	70%	0.701	39%	0.388	S	S	*	.			trans	-102.9	-10.5	-148.7	-54.1	-173.8	153.5	0	0	115.1	S61 T65	S61-E63 PolarHBondContact OG-N 3.27Å; E63-T65 PolarHBondContact O-N 3.38Å
64	W	51.1	Low	65.6	Low	193 Å²	193	67.7 Å²	67.7	73%	0.731	37%	0.374	S	S	*	.	S	Bend	trans	-88.8	-0.7	-158.2	-71.6	29.2	0	0	0	115.6	S61	S61-W64 PolarHBondContact OG-NE1 3.46Å; S61-W64 VanDerWaalsContact OG-NE1 3.15Å
65	T	51.8	Low	66.4	Low	64 Å²	64	63.5 Å²	63.5	39%	0.393	35%	0.352	S	S	.	.	S	Bend	trans	-151.3	-7.8	-167.5	41.3	0	0	0	0	117.9	E17 R20 E63	E17-T65 VanDerWaalsContact CD-OG1 3.25Å; E17-T65 WeakPolarHBondContact OE2-CB 3.42Å; E17-T65 PolarHBondContact OE2-OG1 2.8Å; R20-T65 PolarHBondContact NE-OG1 2.8Å; R20-T65 PolarHBondContact NH2-OG1 2.96Å; R20-T65 VanDerWaalsContact NH2-OG1 3.15Å; E63-T65 PolarHBondContact O-N 3.38Å
66	L	55.5	Low	67.3	Low	43 Å²	43	61.8 Å²	61.8	23%	0.225	34%	0.344	C	S	.	.	S	Bend	trans	-113.6	141.3	174.7	-73.9	-178.5	0	0	0	111.9	A13 E17 V70 L120	A13-L66 HydrophobicContact CB-CD2 4.23Å; E17-L66 HydrophobicContact CB-CD1 3.97Å; E17-L66 HydrophobicContact CB-CD2 3.81Å; E17-L66 HydrophobicContact CB-CG 3.85Å; E17-L66 HydrophobicContact CG-CD1 3.81Å; E17-L66 HydrophobicContact CG-CD2 4.43Å; E17-L66 HydrophobicContact CG-CG 3.91Å; L66-V70 HydrophobicContact CB-CG2 4.46Å; L66-V70 HydrophobicContact CD1-CB 4.28Å; L66-V70 HydrophobicContact CD1-CG1 4.12Å; L66-V70 HydrophobicContact CD1-CG2 4.38Å; L66-V70 HydrophobicContact CD2-CG2 4.25Å; L66-L120 HydrophobicContact CD1-CD2 3.63Å
67	S	53.9	Low	68.6	Low	90 Å²	90	57.7 Å²	57.7	63%	0.629	32%	0.323	S	S	*	.			trans	-65.3	147.4	171.8	64.2	0	0	0	0	110.6	G69 V70	S67-G69 PolarHBondContact O-N 2.83Å; S67-V70 PolarHBondContact O-N 3.01Å
68	N	58.9	Low	69.8	Low	139 Å²	139	54.9 Å²	54.9	74%	0.743	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	3.2	-174.3	-93.4	-71.7	0	0	0	116	R243	N68-R243 PolarHBondContact OD1-NH1 3.28Å
69	G	62.2	Low	71.1	Confident	61 Å²	61	50.9 Å²	50.9	63%	0.629	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-7.3	179	0	0	0	0	0	115.8	S67 P71	S67-G69 PolarHBondContact O-N 2.83Å; G69-P71 WeakPolarHBondContact O-CD 3.31Å
70	V	68.4	Low	72.4	Confident	25 Å²	25	50.5 Å²	50.5	15%	0.152	28%	0.28	C	S	.	.	S	Bend	trans	-75.4	123.2	177.8	179.6	0	0	0	0	110.5	I14 L66 S67 G72 L120	I14-V70 HydrophobicContact CD1-CG1 3.92Å; I14-V70 HydrophobicContact CG1-CG1 3.57Å; L66-V70 HydrophobicContact CB-CG2 4.46Å; L66-V70 HydrophobicContact CD1-CB 4.28Å; L66-V70 HydrophobicContact CD1-CG1 4.12Å; L66-V70 HydrophobicContact CD1-CG2 4.38Å; L66-V70 HydrophobicContact CD2-CG2 4.25Å; S67-V70 PolarHBondContact O-N 3.01Å; V70-G72 PolarHBondContact O-N 3.19Å; V70-G72 VanDerWaalsContact O-N 3.14Å; V70-L120 HydrophobicContact CG1-CB 4.28Å
71	P	75.9	Confident	74.1	Confident	42 Å²	42	49.2 Å²	49.2	27%	0.273	28%	0.275	S	S	.	.			trans	-78.9	102.3	-176.3	31.3	-34	0	0	0	111.4	G69 H119 L120	G69-P71 WeakPolarHBondContact O-CD 3.31Å; P71-H119 WeakPolarHBondContact O-CA 3.3Å; P71-L120 PolarHBondContact O-N 3.16Å
72	G	80.1	Confident	75.4	Confident	16 Å²	16	52.7 Å²	52.7	17%	0.165	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	147.4	175.4	0	0	0	0	0	113.8	V70 L120 R234	V70-G72 PolarHBondContact O-N 3.19Å; V70-G72 VanDerWaalsContact O-N 3.14Å; G72-L120 CarbonylContact C-O 3.58Å; G72-L120 VanDerWaalsContact CA-O 3.28Å; G72-L120 WeakPolarHBondContact CA-O 3.38Å; G72-R234 VanDerWaalsContact O-CZ 3.28Å; G72-R234 PolarHBondContact O-NH1 2.82Å; G72-R234 PolarHBondContact O-NH2 3.46Å
73	I	89.7	Confident	77.2	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.9	173.6	-64.3	174.7	0	0	0	108	L112 H119 L120 L121 L122 C227 I230 L231	I73-L112 HydrophobicContact CD1-CD2 4.12Å; I73-H119 HydrophobicContact CD1-CB 4Å; I73-H119 HydrophobicContact CG1-CB 4.45Å; I73-L120 PolarHBondContact N-O 3.49Å; I73-L121 HydrophobicContact CB-CD1 4.17Å; I73-L121 HydrophobicContact CG2-CD1 3.86Å; I73-L122 PolarHBondContact O-N 2.85Å; I73-C227 HydrophobicContact CD1-CB 4.27Å; I73-I230 HydrophobicContact CG2-CB 4.45Å; I73-I230 HydrophobicContact CG2-CD1 3.69Å; I73-I230 HydrophobicContact CG2-CG2 4.1Å; I73-L231 HydrophobicContact CD1-CD1 4.17Å; I73-L231 HydrophobicContact CD1-CD2 4Å; I73-L231 HydrophobicContact CD1-CG 4.02Å; I73-L231 HydrophobicContact CG1-CD2 4.39Å
74	K	91.3	Very high	79	Confident	45 Å²	45	42.4 Å²	42.4	20%	0.196	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.5	-177.6	-60	177.6	175.5	-160	0	111.2	L122 W137 D139 G140	K74-L122 HydrophobicContact CG-CD1 4.32Å; K74-W137 HydrophobicContact CB-CD2 4.19Å; K74-W137 HydrophobicContact CB-CE3 3.99Å; K74-W137 HydrophobicContact CB-CH2 3.84Å; K74-W137 HydrophobicContact CB-CZ2 4.06Å; K74-W137 HydrophobicContact CB-CZ3 3.8Å; K74-W137 HydrophobicContact CD-CD2 3.89Å; K74-W137 HydrophobicContact CD-CG 4.11Å; K74-W137 HydrophobicContact CD-CZ2 4.16Å; K74-W137 WeakPolarHBondContact CD-O 3.21Å; K74-W137 HydrophobicContact CG-CD2 4.35Å; K74-W137 HydrophobicContact CG-CH2 4.2Å; K74-W137 HydrophobicContact CG-CZ2 3.91Å; K74-D139 HydrophobicContact CB-CB 4.41Å; K74-D139 VanDerWaalsContact CB-OD2 3.28Å; K74-D139 WeakPolarHBondContact CB-OD2 3.39Å; K74-D139 PolarHBondContact N-OD2 2.58Å; K74-D139 WeakPolarHBondContact O-CA 3.09Å; K74-D139 WeakPolarHBondContact O-CB 3.37Å; K74-D139 PolarHBondContact O-N 2.96Å; K74-G140 PolarHBondContact O-N 2.68Å
75	L	94.3	Very high	80.9	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.7	-175.6	-176.2	61.5	0	0	0	110.4	L121 L122 I123 R124 I142 F223 A226 I230	L75-L121 HydrophobicContact CB-CD1 3.87Å; L75-L121 HydrophobicContact CD2-CD1 4.28Å; L75-L122 PolarHBondContact N-O 3.23Å; L75-I123 WeakPolarHBondContact O-CA 3.39Å; L75-R124 PolarHBondContact O-N 3.36Å; L75-I142 HydrophobicContact CD1-CD1 4.09Å; L75-I142 HydrophobicContact CD1-CG1 4.15Å; L75-I142 HydrophobicContact CD2-CD1 3.93Å; L75-I142 HydrophobicContact CG-CD1 4.25Å; L75-F223 HydrophobicContact CD2-CD1 3.49Å; L75-F223 VanDerWaalsContact CD2-CD1 3.49Å; L75-F223 HydrophobicContact CD2-CE1 3.88Å; L75-A226 HydrophobicContact CD1-CB 3.85Å; L75-A226 HydrophobicContact CD2-CB 4.3Å; L75-I230 HydrophobicContact CD1-CD1 4.33Å
76	G	93.8	Very high	82.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	144.5	174.2	0	0	0	0	0	112.3	R124 G140 V141 I142	G76-R124 CarbonylContact C-O 3.52Å; G76-R124 WeakPolarHBondContact CA-O 3.46Å; G76-G140 PolarHBondContact N-O 3.26Å; G76-V141 WeakPolarHBondContact O-CA 3.44Å; G76-I142 PolarHBondContact O-N 3.18Å
77	L	95.5	Very high	84.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137	164.6	-67.5	94.2	0	0	0	110.2	V89 I123 R124 E126 I142 V144 F223	L77-V89 HydrophobicContact CD1-CG2 3.66Å; L77-V89 HydrophobicContact CD2-CG2 3.57Å; L77-V89 HydrophobicContact CG-CG2 4.2Å; L77-I123 HydrophobicContact CD1-CG2 3.34Å; L77-R124 PolarHBondContact N-O 3.37Å; L77-E126 PolarHBondContact O-N 3.22Å; L77-I142 WeakPolarHBondContact CA-O 3.45Å; L77-I142 HydrophobicContact CD2-CB 4.48Å; L77-I142 HydrophobicContact CG-CB 4.26Å; L77-V144 HydrophobicContact CD2-CG2 4.05Å; L77-F223 HydrophobicContact CD1-CE1 4.28Å; L77-F223 HydrophobicContact CD2-CZ 4.17Å
78	L	95.1	Very high	86.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.1	-179.9	-69.7	-176.1	0	0	0	110.3	E126 P130 F134 V141 I142 F143 V144 Y159 L163	L78-E126 HydrophobicContact CD2-CB 3.94Å; L78-E126 HydrophobicContact CD2-CG 3.98Å; L78-P130 HydrophobicContact CD1-CB 3.95Å; L78-P130 HydrophobicContact CD1-CG 3.82Å; L78-P130 HydrophobicContact CD2-CB 4.02Å; L78-P130 HydrophobicContact CD2-CG 4.36Å; L78-F134 HydrophobicContact CD1-CE1 3.86Å; L78-F134 HydrophobicContact CD1-CZ 4.28Å; L78-F134 HydrophobicContact CD2-CD1 4.44Å; L78-F134 HydrophobicContact CD2-CE1 3.75Å; L78-F134 HydrophobicContact CD2-CE2 4.28Å; L78-F134 HydrophobicContact CD2-CZ 3.63Å; L78-F134 HydrophobicContact CG-CE1 3.86Å; L78-F134 HydrophobicContact CG-CZ 3.75Å; L78-V141 HydrophobicContact CB-CG1 4.42Å; L78-V141 HydrophobicContact CD1-CG1 3.94Å; L78-V141 HydrophobicContact CG-CG1 4.09Å; L78-I142 PolarHBondContact N-O 3Å; L78-F143 HydrophobicContact CB-CD1 3.75Å; L78-F143 HydrophobicContact CB-CE1 3.77Å; L78-F143 HydrophobicContact CD1-CD1 4.38Å; L78-F143 HydrophobicContact CD1-CE1 3.56Å; L78-F143 HydrophobicContact CD1-CZ 3.79Å; L78-F143 HydrophobicContact CG-CE1 4.32Å; L78-F143 CarbonylContact O-C 3.54Å; L78-F143 VanDerWaalsContact O-CA 3.29Å; L78-F143 WeakPolarHBondContact O-CA 3.42Å; L78-V144 PolarHBondContact O-N 2.85Å; L78-Y159 HydrophobicContact CB-CD2 4.25Å; L78-L163 HydrophobicContact CD1-CD2 4.35Å
79	G	93.2	Very high	87.8	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.117	C	C	.	.			trans	176.9	173.1	177	0	0	0	0	0	110.1	V144 Y159	G79-V144 WeakPolarHBondContact CA-O 3.43Å; G79-Y159 WeakPolarHBondContact O-CE2 3.5Å
80	S	91.6	Very high	88.9	Confident	18 Å²	18	15.8 Å²	15.8	13%	0.126	9%	0.092	C	C	.	.			trans	-67.9	164.3	169	70.1	0	0	0	0	110.9	Q82 S83 S152	S80-Q82 PolarHBondContact O-N 2.71Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 2.72Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.68Å; S80-S152 WeakPolarHBondContact OG-CA 3.42Å; S80-S152 WeakPolarHBondContact OG-CB 3.4Å
81	V	89.4	Confident	89.8	Confident	41 Å²	41	17.2 Å²	17.2	25%	0.248	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-55	-43.5	176	-177.4	0	0	0	0	111.2	S83 E101 P103	V81-S83 PolarHBondContact O-N 3.09Å; V81-S83 VanDerWaalsContact O-N 3.16Å; V81-E101 HydrophobicContact CG1-CB 3.98Å; V81-P103 HydrophobicContact CG1-CB 4.26Å; V81-P103 HydrophobicContact CG2-CB 4.31Å
82	Q	87	Confident	90.6	Very high	101 Å²	101	16 Å²	16	47%	0.472	8%	0.084	S	C	.	.	G	3₁₀ helix	trans	-80.5	18.9	178.7	-57.6	178.5	3.1	0	0	114.8	S80 G84 E101 N149	S80-Q82 PolarHBondContact O-N 2.71Å; Q82-G84 VanDerWaalsContact C-N 3.35Å; Q82-E101 WeakPolarHBondContact CA-OE1 3.48Å; Q82-E101 WeakPolarHBondContact CG-OE1 3.31Å; Q82-N149 PolarHBondContact OE1-ND2 3.35Å
83	S	90.8	Very high	91	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-84	-6.7	178	62.3	0	0	0	0	114.1	S80 V81 K85 V144 T179	S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 2.72Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.68Å; V81-S83 PolarHBondContact O-N 3.09Å; V81-S83 VanDerWaalsContact O-N 3.16Å; S83-K85 PolarHBondContact O-N 3.04Å; S83-K85 WeakPolarHBondContact OG-CB 3.44Å; S83-K85 WeakPolarHBondContact OG-CG 3.5Å; S83-K85 PolarHBondContact OG-N 2.73Å; S83-V144 VanDerWaalsContact CB-O 3.32Å; S83-V144 WeakPolarHBondContact CB-O 3.44Å; S83-V144 WeakPolarHBondContact O-CG1 3.34Å; S83-T179 WeakPolarHBondContact O-CG2 3.35Å; S83-T179 PolarHBondContact O-OG1 3.09Å
84	G	89.1	Confident	90.5	Very high	12 Å²	12	16.5 Å²	16.5	12%	0.124	8%	0.084	C	C	.	.	S	Bend	trans	73.4	6.5	-169.5	0	0	0	0	0	114.2	Q82 S86 A87 L88	Q82-G84 VanDerWaalsContact C-N 3.35Å; G84-S86 VanDerWaalsContact C-N 3.32Å; G84-S86 PolarHBondContact O-N 2.8Å; G84-A87 PolarHBondContact O-N 3.36Å; G84-L88 VanDerWaalsContact O-CB 3.31Å; G84-L88 WeakPolarHBondContact O-CB 3.4Å; G84-L88 PolarHBondContact O-N 3.11Å
85	K	92.1	Very high	90.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-49.8	-45.2	-179.9	64	-173.3	-172.8	68	0	113.8	S83 L88 V89 S102 D125 E126 V144	S83-K85 PolarHBondContact O-N 3.04Å; S83-K85 WeakPolarHBondContact OG-CB 3.44Å; S83-K85 WeakPolarHBondContact OG-CG 3.5Å; S83-K85 PolarHBondContact OG-N 2.73Å; K85-L88 PolarHBondContact O-N 3.3Å; K85-V89 WeakPolarHBondContact O-CG2 3.49Å; K85-V89 PolarHBondContact O-N 3.14Å; K85-S102 PolarHBondContact NZ-O 3.16Å; K85-D125 WeakPolarHBondContact CD-OD1 2.96Å; K85-D125 WeakPolarHBondContact CG-OD1 3.39Å; K85-D125 IonicContact NZ-OD1 2.72Å; K85-D125 PolarHBondContact NZ-OD1 2.86Å; K85-D125 IonicContact NZ-OD2 2.75Å; K85-D125 PolarHBondContact NZ-OD2 2.81Å; K85-E126 WeakPolarHBondContact CE-O 3.3Å; K85-E126 PolarHBondContact NZ-O 3.31Å; K85-V144 HydrophobicContact CB-CB 4.13Å; K85-V144 HydrophobicContact CB-CG1 4.39Å; K85-V144 HydrophobicContact CB-CG2 4.15Å
86	S	90.6	Very high	89.3	Confident	7 Å²	7	18.8 Å²	18.8	5%	0.049	12%	0.116	C	C	.	.	H	α-helix	trans	-76.1	-42.4	-176.4	20.6	0	0	0	0	111.4	G84 L88 V89 H90 D100 S102	G84-S86 VanDerWaalsContact C-N 3.32Å; G84-S86 PolarHBondContact O-N 2.8Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.78Å; S86-V89 PolarHBondContact O-N 3.03Å; S86-H90 WeakPolarHBondContact O-CB 3.34Å; S86-H90 PolarHBondContact O-N 3.39Å; S86-D100 WeakPolarHBondContact CB-O 3.19Å; S86-D100 PolarHBondContact OG-O 3.19Å; S86-S102 WeakPolarHBondContact CB-OG 3.33Å; S86-S102 PolarHBondContact OG-N 2.9Å
87	A	89.4	Confident	88.5	Confident	2 Å²	2	21.6 Å²	21.6	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-37.6	169.9	0	0	0	0	0	113	G84 R91 Y97 V98 D100 A213	G84-A87 PolarHBondContact O-N 3.36Å; A87-R91 VanDerWaalsContact O-CB 3.31Å; A87-R91 WeakPolarHBondContact O-CB 3.34Å; A87-R91 PolarHBondContact O-N 3.22Å; A87-Y97 HydrophobicContact CB-CE2 4.11Å; A87-V98 WeakPolarHBondContact CB-O 3.39Å; A87-D100 PolarHBondContact N-O 3.23Å; A87-A213 HydrophobicContact CB-CB 4.23Å
88	L	92.3	Very high	87.5	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-42.6	174.9	178.9	66.6	0	0	0	112	G84 K85 S86 Y92 V144 V177 T211 V219 F223	G84-L88 VanDerWaalsContact O-CB 3.31Å; G84-L88 WeakPolarHBondContact O-CB 3.4Å; G84-L88 PolarHBondContact O-N 3.11Å; K85-L88 PolarHBondContact O-N 3.3Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.78Å; L88-Y92 PolarHBondContact O-N 3.09Å; L88-Y92 VanDerWaalsContact O-N 3.11Å; L88-V144 HydrophobicContact CD2-CG1 4.21Å; L88-V144 HydrophobicContact CD2-CG2 4.14Å; L88-V177 HydrophobicContact CD2-CG1 3.95Å; L88-T211 HydrophobicContact CD1-CG2 4.37Å; L88-V219 HydrophobicContact CD1-CB 4.32Å; L88-V219 HydrophobicContact CD1-CG1 3.96Å; L88-V219 HydrophobicContact CD1-CG2 3.8Å; L88-F223 HydrophobicContact CG-CE2 4.26Å
89	V	92	Very high	86.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-48.4	173.6	173.2	0	0	0	0	110.8	L77 K85 S86 R91 Y92 L93 F108 I123 F223	L77-V89 HydrophobicContact CD1-CG2 3.66Å; L77-V89 HydrophobicContact CD2-CG2 3.57Å; L77-V89 HydrophobicContact CG-CG2 4.2Å; K85-V89 WeakPolarHBondContact O-CG2 3.49Å; K85-V89 PolarHBondContact O-N 3.14Å; S86-V89 PolarHBondContact O-N 3.03Å; V89-R91 VanDerWaalsContact C-N 3.3Å; V89-R91 PolarHBondContact O-N 3.22Å; V89-Y92 PolarHBondContact O-N 3.2Å; V89-L93 HydrophobicContact CG1-CD1 3.73Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CG 3.5Å; V89-L93 PolarHBondContact O-N 3.15Å; V89-F108 HydrophobicContact CG1-CD2 3.66Å; V89-F108 HydrophobicContact CG1-CE2 3.59Å; V89-F108 HydrophobicContact CG1-CG 4.32Å; V89-F108 HydrophobicContact CG1-CZ 4.18Å; V89-I123 HydrophobicContact CG1-CG2 4.29Å; V89-I123 HydrophobicContact CG2-CG2 4.32Å; V89-F223 HydrophobicContact CG2-CZ 4.08Å
90	H	84.5	Confident	85.6	Confident	21 Å²	21	31.5 Å²	31.5	10%	0.097	18%	0.178	C	C	.	.	H	α-helix	trans	-54.3	-48.1	176.6	-177.1	-84	0	0	0	110.9	S86 Y92 L93 T94 A96 V98 D100	S86-H90 WeakPolarHBondContact O-CB 3.34Å; S86-H90 PolarHBondContact O-N 3.39Å; H90-Y92 VanDerWaalsContact C-N 3.29Å; H90-Y92 PolarHBondContact O-N 3.31Å; H90-L93 PolarHBondContact O-N 3.07Å; H90-L93 VanDerWaalsContact O-N 3.14Å; H90-T94 PolarHBondContact CE1-OG1 2.96Å; H90-T94 PolarHBondContact ND1-OG1 3.16Å; H90-T94 PolarHBondContact O-N 3.41Å; H90-T94 PolarHBondContact O-OG1 2.96Å; H90-A96 PolarHBondContact ND1-O 3.38Å; H90-V98 VanDerWaalsContact CE1-CG2 3.5Å; H90-V98 WeakPolarHBondContact CE1-CG2 3.47Å; H90-D100 IonicContact CD2-OD2 2.06Å; H90-D100 IonicContact CG-OD2 3.91Å
91	R	88.9	Confident	84.6	Confident	55 Å²	55	34.3 Å²	34.3	21%	0.208	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-35.6	178.2	-175	61.9	-174.2	-118.6	13.6	112.8	A87 V89 G95 A96 A213 A214 V219	A87-R91 VanDerWaalsContact O-CB 3.31Å; A87-R91 WeakPolarHBondContact O-CB 3.34Å; A87-R91 PolarHBondContact O-N 3.22Å; V89-R91 VanDerWaalsContact C-N 3.3Å; V89-R91 PolarHBondContact O-N 3.22Å; R91-G95 WeakPolarHBondContact CD-O 3.33Å; R91-G95 PolarHBondContact NE-O 3.36Å; R91-G95 PolarHBondContact NH2-O 3.41Å; R91-G95 VanDerWaalsContact O-CA 3.25Å; R91-G95 WeakPolarHBondContact O-CA 3.36Å; R91-G95 PolarHBondContact O-N 2.82Å; R91-G95 VanDerWaalsContact O-N 3.11Å; R91-A96 WeakPolarHBondContact CA-O 3.39Å; R91-A96 VanDerWaalsContact CD-C 3.43Å; R91-A96 VanDerWaalsContact CD-O 3.29Å; R91-A96 WeakPolarHBondContact CD-O 3.23Å; R91-A213 HydrophobicContact CB-CB 4.12Å; R91-A213 VanDerWaalsContact CD-O 3.26Å; R91-A213 WeakPolarHBondContact CD-O 3.36Å; R91-A213 WeakPolarHBondContact CG-O 3.45Å; R91-A213 PolarHBondContact NH1-O 2.96Å; R91-A214 VanDerWaalsContact NH1-C 3.33Å; R91-A214 PolarHBondContact NH1-O 3.33Å; R91-V219 HydrophobicContact CB-CG1 4.44Å; R91-V219 HydrophobicContact CG-CG1 4.3Å; R91-V219 HydrophobicContact CG-CG2 4.21Å
92	Y	91.9	Very high	83.9	Confident	16 Å²	16	32.7 Å²	32.7	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-71.4	-36.4	174.5	178.5	-110.4	0	0	0	113.1	L88 V89 H90 K110 L121 I123 F223	L88-Y92 PolarHBondContact O-N 3.09Å; L88-Y92 VanDerWaalsContact O-N 3.11Å; V89-Y92 PolarHBondContact O-N 3.2Å; H90-Y92 VanDerWaalsContact C-N 3.29Å; H90-Y92 PolarHBondContact O-N 3.31Å; Y92-K110 HydrophobicContact CD1-CD 4.33Å; Y92-K110 HydrophobicContact CE1-CD 3.77Å; Y92-K110 VanDerWaalsContact CZ-NZ 3.32Å; Y92-K110 PolarHBondContact O-NZ 3.27Å; Y92-L121 HydrophobicContact CE1-CD2 3.87Å; Y92-I123 HydrophobicContact CD1-CD1 3.92Å; Y92-I123 HydrophobicContact CE1-CD1 3.98Å; Y92-F223 HydrophobicContact CD1-CB 4.24Å; Y92-F223 AromaticContact CD1-CD1 3.63Å; Y92-F223 HydrophobicContact CD1-CD1 3.63Å; Y92-F223 AromaticContact CD1-CD2 3.93Å; Y92-F223 HydrophobicContact CD1-CD2 3.93Å; Y92-F223 AromaticContact CD1-CE1 3.9Å; Y92-F223 HydrophobicContact CD1-CE1 3.9Å; Y92-F223 HydrophobicContact CD1-CE2 4.17Å; Y92-F223 AromaticContact CD1-CG 3.67Å; Y92-F223 HydrophobicContact CD1-CG 3.67Å; Y92-F223 HydrophobicContact CD1-CZ 4.16Å; Y92-F223 HydrophobicContact CD2-CB 3.8Å; Y92-F223 AromaticContact CD2-CD2 3.62Å; Y92-F223 HydrophobicContact CD2-CD2 3.62Å; Y92-F223 HydrophobicContact CD2-CE2 4.33Å; Y92-F223 AromaticContact CD2-CG 3.74Å; Y92-F223 HydrophobicContact CD2-CG 3.74Å; Y92-F223 HydrophobicContact CE1-CB 3.91Å; Y92-F223 AromaticContact CE1-CD1 3.72Å; Y92-F223 HydrophobicContact CE1-CD1 3.72Å; Y92-F223 HydrophobicContact CE1-CD2 4.46Å; Y92-F223 HydrophobicContact CE1-CE1 4.37Å; Y92-F223 AromaticContact CE1-CG 3.78Å; Y92-F223 HydrophobicContact CE1-CG 3.78Å; Y92-F223 HydrophobicContact CE2-CB 3.43Å; Y92-F223 VanDerWaalsContact CE2-CB 3.43Å; Y92-F223 HydrophobicContact CE2-CD2 4.19Å; Y92-F223 AromaticContact CE2-CG 3.86Å; Y92-F223 HydrophobicContact CE2-CG 3.86Å; Y92-F223 HydrophobicContact CG-CB 4.18Å; Y92-F223 HydrophobicContact CG-CD1 4.06Å; Y92-F223 AromaticContact CG-CD2 3.46Å; Y92-F223 HydrophobicContact CG-CD2 3.46Å; Y92-F223 VanDerWaalsContact CG-CD2 3.46Å; Y92-F223 HydrophobicContact CG-CE1 4.33Å; Y92-F223 AromaticContact CG-CE2 3.76Å; Y92-F223 HydrophobicContact CG-CE2 3.76Å; Y92-F223 AromaticContact CG-CG 3.63Å; Y92-F223 HydrophobicContact CG-CG 3.63Å; Y92-F223 HydrophobicContact CG-CZ 4.19Å; Y92-F223 VanDerWaalsContact CZ-CB 3.48Å; Y92-F223 AromaticContact CZ-CG 3.87Å
93	L	88.7	Confident	83.2	Confident	6 Å²	6	31.6 Å²	31.6	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-76.5	-53.6	-178.3	-66.5	175.9	0	0	0	112.3	V89 H90 F108 K110 I123	V89-L93 HydrophobicContact CG1-CD1 3.73Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CG 3.5Å; V89-L93 PolarHBondContact O-N 3.15Å; H90-L93 PolarHBondContact O-N 3.07Å; H90-L93 VanDerWaalsContact O-N 3.14Å; L93-F108 HydrophobicContact CD1-CB 3.6Å; L93-F108 HydrophobicContact CD1-CD1 3.35Å; L93-F108 HydrophobicContact CD1-CD2 4.1Å; L93-F108 HydrophobicContact CD1-CE1 3.99Å; L93-F108 HydrophobicContact CD1-CG 3.4Å; L93-F108 VanDerWaalsContact CD1-CG 3.4Å; L93-F108 HydrophobicContact CD2-CB 4.28Å; L93-K110 HydrophobicContact CD2-CB 4.21Å; L93-K110 HydrophobicContact CD2-CD 3.8Å; L93-I123 HydrophobicContact CD2-CD1 3.94Å
94	T	79.5	Confident	82.1	Confident	21 Å²	21	39.1 Å²	39.1	13%	0.129	22%	0.216	C	C	.	.	H	α-helix	trans	-89.4	-35.6	-172.7	65.7	0	0	0	0	112.6	H90 A96	H90-T94 PolarHBondContact CE1-OG1 2.96Å; H90-T94 PolarHBondContact ND1-OG1 3.16Å; H90-T94 PolarHBondContact O-N 3.41Å; H90-T94 PolarHBondContact O-OG1 2.96Å; T94-A96 PolarHBondContact OG1-N 3.06Å; T94-A96 PolarHBondContact OG1-O 2.89Å
95	G	81.6	Confident	81.5	Confident	44 Å²	44	38.7 Å²	38.7	45%	0.454	21%	0.212	S	C	.	.	S	Bend	trans	90.3	-3.9	-166.8	0	0	0	0	0	114.1	R91	R91-G95 WeakPolarHBondContact CD-O 3.33Å; R91-G95 PolarHBondContact NE-O 3.36Å; R91-G95 PolarHBondContact NH2-O 3.41Å; R91-G95 VanDerWaalsContact O-CA 3.25Å; R91-G95 WeakPolarHBondContact O-CA 3.36Å; R91-G95 PolarHBondContact O-N 2.82Å; R91-G95 VanDerWaalsContact O-N 3.11Å
96	A	77.3	Confident	80.9	Confident	50 Å²	50	39.4 Å²	39.4	41%	0.413	22%	0.219	S	C	.	.	S	Bend	trans	-103.7	151.8	178.7	0	0	0	0	0	112.1	H90 R91 T94	H90-A96 PolarHBondContact ND1-O 3.38Å; R91-A96 WeakPolarHBondContact CA-O 3.39Å; R91-A96 VanDerWaalsContact CD-C 3.43Å; R91-A96 VanDerWaalsContact CD-O 3.29Å; R91-A96 WeakPolarHBondContact CD-O 3.23Å; T94-A96 PolarHBondContact OG1-N 3.06Å; T94-A96 PolarHBondContact OG1-O 2.89Å
97	Y	78.9	Confident	80.4	Confident	60 Å²	60	41.7 Å²	41.7	24%	0.235	23%	0.227	C	C	.	.			trans	-91.3	127.2	170.8	-179.9	-128.8	0	0	0	110.3	A87 H99 D181 A213 A214	A87-Y97 HydrophobicContact CB-CE2 4.11Å; Y97-H99 PolarHBondContact OH-ND1 3.47Å; Y97-D181 HydrophobicContact CE2-CB 4.45Å; Y97-D181 PolarHBondContact OH-O 3.46Å; Y97-A213 WeakPolarHBondContact CB-O 3.49Å; Y97-A213 VanDerWaalsContact CD2-C 3.48Å; Y97-A213 HydrophobicContact CD2-CB 3.66Å; Y97-A213 HydrophobicContact CE2-CB 3.8Å; Y97-A214 HydrophobicContact CD1-CB 3.7Å; Y97-A214 HydrophobicContact CD2-CB 4.45Å; Y97-A214 HydrophobicContact CE1-CB 3.78Å; Y97-A214 HydrophobicContact CG-CB 4.05Å
98	V	74.5	Confident	80.2	Confident	65 Å²	65	43.1 Å²	43.1	39%	0.394	23%	0.233	S	C	.	.			trans	-128.6	143.5	161.3	-178.1	0	0	0	0	105.7	A87 H90 D100	A87-V98 WeakPolarHBondContact CB-O 3.39Å; H90-V98 VanDerWaalsContact CE1-CG2 3.5Å; H90-V98 WeakPolarHBondContact CE1-CG2 3.47Å; V98-D100 VanDerWaalsContact CG1-OD1 3.26Å; V98-D100 WeakPolarHBondContact CG1-OD1 3.36Å; V98-D100 PolarHBondContact O-N 3.02Å
99	H	78.3	Confident	79.7	Confident	120 Å²	120	43.9 Å²	43.9	56%	0.556	24%	0.236	S	C	*	.			trans	-82.3	67.6	179.7	-171.9	68.2	0	0	0	109.9	Y97	Y97-H99 PolarHBondContact OH-ND1 3.47Å
100	D	68.4	Low	79.3	Confident	23 Å²	23	46.2 Å²	46.2	12%	0.123	25%	0.246	C	C	.	.			trans	-88.6	112.8	-173.9	-71.9	-38.5	0	0	0	112.9	S86 A87 H90 V98	S86-D100 WeakPolarHBondContact CB-O 3.19Å; S86-D100 PolarHBondContact OG-O 3.19Å; A87-D100 PolarHBondContact N-O 3.23Å; H90-D100 IonicContact CD2-OD2 2.06Å; H90-D100 IonicContact CG-OD2 3.91Å; V98-D100 VanDerWaalsContact CG1-OD1 3.26Å; V98-D100 WeakPolarHBondContact CG1-OD1 3.36Å; V98-D100 PolarHBondContact O-N 3.02Å
101	E	72	Confident	79.4	Confident	76 Å²	76	47.1 Å²	47.1	36%	0.355	25%	0.25	S	S	.	.			trans	-100.6	110.4	160.4	-68.2	-161.2	167.6	0	0	109.8	V81 Q82 P103	V81-E101 HydrophobicContact CG1-CB 3.98Å; Q82-E101 WeakPolarHBondContact CA-OE1 3.48Å; Q82-E101 WeakPolarHBondContact CG-OE1 3.31Å; E101-P103 VanDerWaalsContact O-CD 3.27Å; E101-P103 WeakPolarHBondContact O-CD 3.1Å
102	S	73.6	Confident	79.2	Confident	8 Å²	8	45 Å²	45	6%	0.056	24%	0.243	C	C	.	.			trans	-104.8	96.8	179.3	-61.1	0	0	0	0	110.2	K85 S86 E104 G105	K85-S102 PolarHBondContact NZ-O 3.16Å; S86-S102 WeakPolarHBondContact CB-OG 3.33Å; S86-S102 PolarHBondContact OG-N 2.9Å; S102-E104 VanDerWaalsContact C-N 3.3Å; S102-E104 PolarHBondContact O-N 3.34Å; S102-G105 PolarHBondContact O-N 3.4Å
103	P	72.2	Confident	78.7	Confident	77 Å²	77	48.2 Å²	48.2	50%	0.5	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.9	-175.9	29.7	-36.3	0	0	0	113.5	V81 E101 G127	V81-P103 HydrophobicContact CG1-CB 4.26Å; V81-P103 HydrophobicContact CG2-CB 4.31Å; E101-P103 VanDerWaalsContact O-CD 3.27Å; E101-P103 WeakPolarHBondContact O-CD 3.1Å; P103-G127 VanDerWaalsContact O-CA 3.3Å; P103-G127 WeakPolarHBondContact O-CA 3.47Å
104	E	67.3	Low	78.2	Confident	158 Å²	158	49 Å²	49	74%	0.738	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-8.8	174.2	-64.3	160.8	147	0	0	111.8	S102 Y664	S102-E104 VanDerWaalsContact C-N 3.3Å; S102-E104 PolarHBondContact O-N 3.34Å; E104-Y664 HydrophobicContact CB-CE1 4.47Å; E104-Y664 WeakPolarHBondContact CB-OH 3.5Å; E104-Y664 WeakPolarHBondContact OE2-CE2 3.41Å; E104-Y664 PolarHBondContact OE2-OH 3.47Å
105	G	78.2	Confident	77.8	Confident	3 Å²	3	54.8 Å²	54.8	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.8	-151	-174	0	0	0	0	0	113.2	S102 D125 Y664	S102-G105 PolarHBondContact O-N 3.4Å; G105-D125 CarbonylContact C-O 3.53Å; G105-D125 WeakPolarHBondContact CA-O 3.35Å; G105-Y664 WeakPolarHBondContact O-CE1 3.28Å
106	G	78.8	Confident	77.3	Confident	15 Å²	15	60 Å²	60	16%	0.155	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	157	-178.8	0	0	0	0	0	113.8	D125	G106-D125 PolarHBondContact N-O 2.88Å; G106-D125 PolarHBondContact O-N 2.95Å
107	R	80.8	Confident	77.1	Confident	56 Å²	56	62.6 Å²	62.6	21%	0.211	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.5	-175.6	-69.1	165.7	-179.4	-147	13.6	111.1	V59 N60 I123 R124 F665	V59-R107 HydrophobicContact CG1-CB 4.25Å; V59-R107 HydrophobicContact CG1-CG 4.43Å; V59-R107 PolarHBondContact O-NH1 3.49Å; N60-R107 VanDerWaalsContact CG-NH1 3.31Å; N60-R107 VanDerWaalsContact OD1-CZ 3.27Å; N60-R107 PolarHBondContact OD1-NH1 2.79Å; N60-R107 PolarHBondContact OD1-NH2 3.4Å; R107-I123 WeakPolarHBondContact CA-O 3.29Å; R107-R124 HydrophobicContact CG-CG 4.19Å; R107-F665 WeakPolarHBondContact O-CE1 3.5Å
108	F	83.9	Confident	77.2	Confident	31 Å²	31	60.6 Å²	60.6	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151	-166.3	-44	-88.4	0	0	0	111.8	V89 L93 L122 I123 D125	V89-F108 HydrophobicContact CG1-CD2 3.66Å; V89-F108 HydrophobicContact CG1-CE2 3.59Å; V89-F108 HydrophobicContact CG1-CG 4.32Å; V89-F108 HydrophobicContact CG1-CZ 4.18Å; L93-F108 HydrophobicContact CD1-CB 3.6Å; L93-F108 HydrophobicContact CD1-CD1 3.35Å; L93-F108 HydrophobicContact CD1-CD2 4.1Å; L93-F108 HydrophobicContact CD1-CE1 3.99Å; L93-F108 HydrophobicContact CD1-CG 3.4Å; L93-F108 VanDerWaalsContact CD1-CG 3.4Å; L93-F108 HydrophobicContact CD2-CB 4.28Å; F108-L122 WeakPolarHBondContact O-CA 3.47Å; F108-I123 HydrophobicContact CB-CB 4.28Å; F108-I123 HydrophobicContact CD2-CB 4.32Å; F108-I123 HydrophobicContact CD2-CG2 4.42Å; F108-I123 PolarHBondContact N-O 2.96Å; F108-I123 PolarHBondContact O-N 2.61Å; F108-D125 HydrophobicContact CE2-CB 4.38Å
109	K	83.2	Confident	77.6	Confident	17 Å²	17	58.1 Å²	58.1	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.5	-179.9	-59.1	-170.4	178.9	164.8	0	109.8	E17 I18 F21 L120 L121 L122 N667	E17-K109 IonicContact OE1-NZ 2.76Å; E17-K109 PolarHBondContact OE1-NZ 3.31Å; I18-K109 HydrophobicContact CG1-CB 3.99Å; F21-K109 HydrophobicContact CB-CD 3.81Å; F21-K109 HydrophobicContact CD1-CB 4.38Å; F21-K109 HydrophobicContact CD1-CD 3.73Å; F21-K109 HydrophobicContact CD1-CG 3.79Å; F21-K109 HydrophobicContact CD2-CD 4.14Å; F21-K109 HydrophobicContact CE1-CD 4.32Å; F21-K109 HydrophobicContact CE1-CG 4.04Å; F21-K109 HydrophobicContact CG-CD 3.62Å; F21-K109 HydrophobicContact CG-CG 4.22Å; K109-L120 HydrophobicContact CB-CD1 4.23Å; K109-L121 CarbonylContact C-O 3.59Å; K109-L121 WeakPolarHBondContact CA-O 3.15Å; K109-L122 HydrophobicContact CB-CD2 4.35Å; K109-L122 HydrophobicContact CD-CD2 4.12Å; K109-L122 HydrophobicContact CG-CD2 3.7Å; K109-N667 PolarHBondContact O-ND2 3.28Å
110	K	83.8	Confident	77.9	Confident	48 Å²	48	52.8 Å²	52.8	21%	0.209	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.1	-178.7	-176.6	168.7	170.8	-173.1	0	111.8	Y92 L93 L112 L121	Y92-K110 HydrophobicContact CD1-CD 4.33Å; Y92-K110 HydrophobicContact CE1-CD 3.77Å; Y92-K110 VanDerWaalsContact CZ-NZ 3.32Å; Y92-K110 PolarHBondContact O-NZ 3.27Å; L93-K110 HydrophobicContact CD2-CB 4.21Å; L93-K110 HydrophobicContact CD2-CD 3.8Å; K110-L112 PolarHBondContact O-N 3.11Å; K110-L121 PolarHBondContact N-O 3.4Å; K110-L121 WeakPolarHBondContact O-CB 3.47Å; K110-L121 PolarHBondContact O-N 2.87Å
111	E	85.4	Confident	78.9	Confident	40 Å²	40	51.7 Å²	51.7	19%	0.187	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.7	168.9	-175	176.8	-157.9	0	0	108.9	S11 I14 R15 I18 S118	S11-E111 WeakPolarHBondContact CB-OE1 3.34Å; S11-E111 PolarHBondContact OG-OE1 3.37Å; I14-E111 HydrophobicContact CG2-CB 3.86Å; I14-E111 HydrophobicContact CG2-CG 3.99Å; R15-E111 IonicContact CZ-OE1 3.53Å; R15-E111 IonicContact CZ-OE2 3.28Å; R15-E111 IonicContact NE-OE1 3.99Å; R15-E111 IonicContact NE-OE2 3.5Å; R15-E111 PolarHBondContact NE-OE2 3.42Å; R15-E111 IonicContact NH2-OE1 3.91Å; R15-E111 PolarHBondContact NH2-OE1 2.86Å; R15-E111 IonicContact NH2-OE2 3.83Å; R15-E111 PolarHBondContact NH2-OE2 3.11Å; I18-E111 HydrophobicContact CD1-CB 4.16Å; I18-E111 VanDerWaalsContact CD1-N 3.32Å; E111-S118 VanDerWaalsContact OE1-CB 3.23Å; E111-S118 WeakPolarHBondContact OE1-CB 3.41Å; E111-S118 PolarHBondContact OE1-OG 2.85Å
112	L	85.5	Confident	79.7	Confident	12 Å²	12	48.7 Å²	48.7	6%	0.063	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	108.7	178.7	178.9	70.3	0	0	0	109.9	I73 K110 L114 H119 L121 C227	I73-L112 HydrophobicContact CD1-CD2 4.12Å; K110-L112 PolarHBondContact O-N 3.11Å; L112-L114 HydrophobicContact CD1-CG 4.42Å; L112-L114 HydrophobicContact CD2-CD1 3.78Å; L112-L114 HydrophobicContact CD2-CG 4.22Å; L112-L114 HydrophobicContact CG-CD1 4.18Å; L112-L114 HydrophobicContact CG-CG 4.06Å; L112-H119 HydrophobicContact CB-CB 4.48Å; L112-H119 PolarHBondContact N-O 2.89Å; L112-H119 PolarHBondContact O-N 2.83Å; L112-L121 HydrophobicContact CB-CB 4.11Å; L112-L121 HydrophobicContact CD2-CD2 4.47Å; L112-C227 HydrophobicContact CD2-CB 3.5Å; L112-C227 VanDerWaalsContact CD2-CB 3.5Å; L112-C227 VanDerWaalsContact CD2-SG 3.55Å
113	S	81.9	Confident	80.5	Confident	83 Å²	83	48.4 Å²	48.4	58%	0.58	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	107.5	176	-49.5	0	0	0	0	110.5
114	L	77.2	Confident	81.4	Confident	23 Å²	23	45.8 Å²	45.8	12%	0.12	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140	170.4	-68.8	174.7	0	0	0	108.8	L112 N116 Q117 C227 L228 L231	L112-L114 HydrophobicContact CD1-CG 4.42Å; L112-L114 HydrophobicContact CD2-CD1 3.78Å; L112-L114 HydrophobicContact CD2-CG 4.22Å; L112-L114 HydrophobicContact CG-CD1 4.18Å; L112-L114 HydrophobicContact CG-CG 4.06Å; L114-N116 PolarHBondContact O-N 2.86Å; L114-N116 VanDerWaalsContact O-N 3.09Å; L114-Q117 PolarHBondContact N-O 2.7Å; L114-Q117 PolarHBondContact O-N 2.86Å; L114-Q117 VanDerWaalsContact O-O 3.1Å; L114-C227 HydrophobicContact CD1-CB 4.06Å; L114-L228 HydrophobicContact CD1-CD2 4.02Å; L114-L228 HydrophobicContact CD1-CG 4.11Å; L114-L228 HydrophobicContact CD2-CD2 4.19Å; L114-L228 HydrophobicContact CD2-CG 4.32Å; L114-L231 HydrophobicContact CB-CD1 4.47Å; L114-L231 HydrophobicContact CD1-CD1 3.78Å
115	D	71.2	Confident	82.6	Confident	141 Å²	141	38.4 Å²	38.4	75%	0.754	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	39.3	177.9	-57	-31.5	0	0	0	114.7	Q117	D115-Q117 PolarHBondContact O-N 3.39Å
116	N	70.2	Confident	83.1	Confident	153 Å²	153	39.8 Å²	39.8	82%	0.818	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	22.3	-173.9	-64.4	-17.8	0	0	0	115.5	L114	L114-N116 PolarHBondContact O-N 2.86Å; L114-N116 VanDerWaalsContact O-N 3.09Å
117	Q	74.2	Confident	83.3	Confident	106 Å²	106	39.7 Å²	39.7	50%	0.495	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.9	173.4	-63.5	-173.7	1.2	0	0	111.3	L7 L114 D115 H119	L7-Q117 HydrophobicContact CD2-CG 4.39Å; L114-Q117 PolarHBondContact N-O 2.7Å; L114-Q117 PolarHBondContact O-N 2.86Å; L114-Q117 VanDerWaalsContact O-O 3.1Å; D115-Q117 PolarHBondContact O-N 3.39Å; Q117-H119 PolarHBondContact O-N 3.42Å; Q117-H119 PolarHBondContact O-ND1 3.06Å
118	S	80.6	Confident	83.5	Confident	18 Å²	18	38 Å²	38	13%	0.126	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.4	171.5	-67.6	0	0	0	0	110.9	I14 E111	I14-S118 VanDerWaalsContact CD1-O 3.29Å; I14-S118 WeakPolarHBondContact CD1-O 3.33Å; E111-S118 VanDerWaalsContact OE1-CB 3.23Å; E111-S118 WeakPolarHBondContact OE1-CB 3.41Å; E111-S118 PolarHBondContact OE1-OG 2.85Å
119	H	83.1	Confident	83.8	Confident	12 Å²	12	39 Å²	39	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149.5	173.8	-70.9	71	0	0	0	110.3	P71 I73 L112 Q117 L121	P71-H119 WeakPolarHBondContact O-CA 3.3Å; I73-H119 HydrophobicContact CD1-CB 4Å; I73-H119 HydrophobicContact CG1-CB 4.45Å; L112-H119 HydrophobicContact CB-CB 4.48Å; L112-H119 PolarHBondContact N-O 2.89Å; L112-H119 PolarHBondContact O-N 2.83Å; Q117-H119 PolarHBondContact O-N 3.42Å; Q117-H119 PolarHBondContact O-ND1 3.06Å; H119-L121 PolarHBondContact O-N 2.86Å
120	L	85.2	Confident	84.2	Confident	9 Å²	9	38.1 Å²	38.1	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	102.4	169.9	178.6	63.1	0	0	0	109.3	I14 I18 L66 V70 P71 G72 I73 K109 L122	I14-L120 HydrophobicContact CG1-CB 4.41Å; I14-L120 HydrophobicContact CG2-CD1 4.26Å; I18-L120 HydrophobicContact CD1-CD1 4.11Å; I18-L120 HydrophobicContact CG1-CD1 4.03Å; L66-L120 HydrophobicContact CD1-CD2 3.63Å; V70-L120 HydrophobicContact CG1-CB 4.28Å; P71-L120 PolarHBondContact O-N 3.16Å; G72-L120 CarbonylContact C-O 3.58Å; G72-L120 VanDerWaalsContact CA-O 3.28Å; G72-L120 WeakPolarHBondContact CA-O 3.38Å; I73-L120 PolarHBondContact N-O 3.49Å; K109-L120 HydrophobicContact CB-CD1 4.23Å; L120-L122 HydrophobicContact CD1-CD2 4.28Å; L120-L122 HydrophobicContact CD2-CD2 3.95Å; L120-L122 HydrophobicContact CG-CD2 3.85Å; L120-L122 HydrophobicContact CG-CG 4.34Å
121	L	89.6	Confident	84.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.6	171.8	178.6	59.1	0	0	0	109.5	I73 L75 Y92 K109 K110 L112 H119 I123	I73-L121 HydrophobicContact CB-CD1 4.17Å; I73-L121 HydrophobicContact CG2-CD1 3.86Å; L75-L121 HydrophobicContact CB-CD1 3.87Å; L75-L121 HydrophobicContact CD2-CD1 4.28Å; Y92-L121 HydrophobicContact CE1-CD2 3.87Å; K109-L121 CarbonylContact C-O 3.59Å; K109-L121 WeakPolarHBondContact CA-O 3.15Å; K110-L121 PolarHBondContact N-O 3.4Å; K110-L121 WeakPolarHBondContact O-CB 3.47Å; K110-L121 PolarHBondContact O-N 2.87Å; L112-L121 HydrophobicContact CB-CB 4.11Å; L112-L121 HydrophobicContact CD2-CD2 4.47Å; H119-L121 PolarHBondContact O-N 2.86Å; L121-I123 HydrophobicContact CD1-CG1 4.36Å; L121-I123 HydrophobicContact CD2-CD1 4.01Å; L121-I123 HydrophobicContact CD2-CG1 4.07Å; L121-I123 HydrophobicContact CG-CD1 4.29Å; L121-I123 HydrophobicContact CG-CG1 3.82Å
122	L	88.5	Confident	84.5	Confident	12 Å²	12	40.1 Å²	40.1	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.1	170.8	-57	-179.4	0	0	0	108	Q62 I73 K74 L75 F108 K109 L120 W137	Q62-L122 HydrophobicContact CG-CD1 4.02Å; I73-L122 PolarHBondContact O-N 2.85Å; K74-L122 HydrophobicContact CG-CD1 4.32Å; L75-L122 PolarHBondContact N-O 3.23Å; F108-L122 WeakPolarHBondContact O-CA 3.47Å; K109-L122 HydrophobicContact CB-CD2 4.35Å; K109-L122 HydrophobicContact CD-CD2 4.12Å; K109-L122 HydrophobicContact CG-CD2 3.7Å; L120-L122 HydrophobicContact CD1-CD2 4.28Å; L120-L122 HydrophobicContact CD2-CD2 3.95Å; L120-L122 HydrophobicContact CG-CD2 3.85Å; L120-L122 HydrophobicContact CG-CG 4.34Å; L122-W137 HydrophobicContact CB-CH2 3.91Å; L122-W137 HydrophobicContact CB-CZ2 3.84Å; L122-W137 HydrophobicContact CD1-CZ2 4.19Å
123	I	90.9	Very high	84.5	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.7	179.9	-49.8	-179.3	0	0	0	108.4	L75 L77 V89 Y92 L93 R107 F108 L121 F223	L75-I123 WeakPolarHBondContact O-CA 3.39Å; L77-I123 HydrophobicContact CD1-CG2 3.34Å; V89-I123 HydrophobicContact CG1-CG2 4.29Å; V89-I123 HydrophobicContact CG2-CG2 4.32Å; Y92-I123 HydrophobicContact CD1-CD1 3.92Å; Y92-I123 HydrophobicContact CE1-CD1 3.98Å; L93-I123 HydrophobicContact CD2-CD1 3.94Å; R107-I123 WeakPolarHBondContact CA-O 3.29Å; F108-I123 HydrophobicContact CB-CB 4.28Å; F108-I123 HydrophobicContact CD2-CB 4.32Å; F108-I123 HydrophobicContact CD2-CG2 4.42Å; F108-I123 PolarHBondContact N-O 2.96Å; F108-I123 PolarHBondContact O-N 2.61Å; L121-I123 HydrophobicContact CD1-CG1 4.36Å; L121-I123 HydrophobicContact CD2-CD1 4.01Å; L121-I123 HydrophobicContact CD2-CG1 4.07Å; L121-I123 HydrophobicContact CG-CD1 4.29Å; L121-I123 HydrophobicContact CG-CG1 3.82Å; I123-F223 HydrophobicContact CD1-CD1 4.3Å; I123-F223 HydrophobicContact CD1-CE1 3.97Å; I123-F223 HydrophobicContact CG2-CE1 4.45Å
124	R	90.3	Very high	84.9	Confident	21 Å²	21	41.5 Å²	41.5	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.3	175.5	-176.8	166.7	167.6	179	-11.5	109.1	L75 G76 L77 R107 E126 D131 F134 W137	L75-R124 PolarHBondContact O-N 3.36Å; G76-R124 CarbonylContact C-O 3.52Å; G76-R124 WeakPolarHBondContact CA-O 3.46Å; L77-R124 PolarHBondContact N-O 3.37Å; R107-R124 HydrophobicContact CG-CG 4.19Å; R124-E126 IonicContact CZ-OE1 2.65Å; R124-E126 IonicContact NE-OE1 3.41Å; R124-E126 PolarHBondContact NE-OE1 3.06Å; R124-E126 IonicContact NH2-OE1 3.21Å; R124-E126 PolarHBondContact NH2-OE1 2.83Å; R124-E126 IonicContact NH2-OE2 3.24Å; R124-D131 IonicContact NH2-OD1 3.79Å; R124-F134 HydrophobicContact CG-CD2 4.21Å; R124-F134 HydrophobicContact CG-CE2 4.36Å; R124-W137 HydrophobicContact CB-CE3 4.34Å; R124-W137 HydrophobicContact CB-CH2 3.75Å; R124-W137 HydrophobicContact CB-CZ3 3.55Å; R124-W137 HydrophobicContact CG-CZ3 4.48Å
125	D	91.4	Very high	85.5	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.4	169.9	176.7	26.7	0	0	0	108.5	K85 G105 G106 F108	K85-D125 WeakPolarHBondContact CD-OD1 2.96Å; K85-D125 WeakPolarHBondContact CG-OD1 3.39Å; K85-D125 IonicContact NZ-OD1 2.72Å; K85-D125 PolarHBondContact NZ-OD1 2.86Å; K85-D125 IonicContact NZ-OD2 2.75Å; K85-D125 PolarHBondContact NZ-OD2 2.81Å; G105-D125 CarbonylContact C-O 3.53Å; G105-D125 WeakPolarHBondContact CA-O 3.35Å; G106-D125 PolarHBondContact N-O 2.88Å; G106-D125 PolarHBondContact O-N 2.95Å; F108-D125 HydrophobicContact CE2-CB 4.38Å
126	E	88.9	Confident	86.2	Confident	32 Å²	32	39.4 Å²	39.4	15%	0.15	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.8	174.3	-70.1	-70	137.4	0	0	110.4	L77 L78 K85 R124 G128 F134	L77-E126 PolarHBondContact O-N 3.22Å; L78-E126 HydrophobicContact CD2-CB 3.94Å; L78-E126 HydrophobicContact CD2-CG 3.98Å; K85-E126 WeakPolarHBondContact CE-O 3.3Å; K85-E126 PolarHBondContact NZ-O 3.31Å; R124-E126 IonicContact CZ-OE1 2.65Å; R124-E126 IonicContact NE-OE1 3.41Å; R124-E126 PolarHBondContact NE-OE1 3.06Å; R124-E126 IonicContact NH2-OE1 3.21Å; R124-E126 PolarHBondContact NH2-OE1 2.83Å; R124-E126 IonicContact NH2-OE2 3.24Å; E126-G128 VanDerWaalsContact C-N 3.26Å; E126-F134 HydrophobicContact CG-CD2 3.41Å; E126-F134 VanDerWaalsContact CG-CD2 3.41Å; E126-F134 HydrophobicContact CG-CE2 3.48Å; E126-F134 VanDerWaalsContact CG-CE2 3.48Å; E126-F134 HydrophobicContact CG-CG 4.13Å; E126-F134 HydrophobicContact CG-CZ 4.25Å; E126-F134 WeakPolarHBondContact OE1-CD2 3.19Å
127	G	83.1	Confident	87	Confident	13 Å²	13	35.1 Å²	35.1	13%	0.134	18%	0.181	C	C	.	.	S	Bend	trans	-73.6	-15.5	170.1	0	0	0	0	0	114.4	P103	P103-G127 VanDerWaalsContact O-CA 3.3Å; P103-G127 WeakPolarHBondContact O-CA 3.47Å
128	G	86.5	Confident	87.8	Confident	21 Å²	21	30.2 Å²	30.2	22%	0.216	16%	0.158	C	C	.	.	S	Bend	trans	-146.4	-166.4	-170.7	0	0	0	0	0	114.8	E126 Y159	E126-G128 VanDerWaalsContact C-N 3.26Å; G128-Y159 VanDerWaalsContact O-CE2 3.32Å; G128-Y159 WeakPolarHBondContact O-CE2 3.29Å
129	P	89.2	Confident	88.4	Confident	51 Å²	51	30.9 Å²	30.9	33%	0.331	16%	0.16	S	C	.	.	S	Bend	trans	-71.2	138.5	-173.9	27.8	-34.4	0	0	0	112.1	Y159 R162	P129-Y159 HydrophobicContact CB-CD1 3.85Å; P129-Y159 HydrophobicContact CB-CE1 3.49Å; P129-Y159 VanDerWaalsContact CB-CE1 3.49Å; P129-Y159 HydrophobicContact CB-CE2 4.5Å; P129-Y159 HydrophobicContact CG-CE1 4.38Å; P129-R162 PolarHBondContact O-NH2 3.31Å
130	P	91.5	Very high	88.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.			trans	-57	140.7	-172.1	22.6	-33.7	0	0	0	112.5	L78 F134 Y159 R162 L163 Y166	L78-P130 HydrophobicContact CD1-CB 3.95Å; L78-P130 HydrophobicContact CD1-CG 3.82Å; L78-P130 HydrophobicContact CD2-CB 4.02Å; L78-P130 HydrophobicContact CD2-CG 4.36Å; P130-F134 HydrophobicContact CB-CD1 3.89Å; P130-F134 HydrophobicContact CB-CE1 4.27Å; P130-Y159 WeakPolarHBondContact CG-O 3.25Å; P130-R162 HydrophobicContact CG-CB 4.48Å; P130-R162 HydrophobicContact CG-CG 4.45Å; P130-R162 PolarHBondContact O-NE 3.46Å; P130-R162 PolarHBondContact O-NH2 3.18Å; P130-R162 VanDerWaalsContact O-NH2 3.09Å; P130-L163 HydrophobicContact CG-CB 4.16Å; P130-Y166 WeakPolarHBondContact O-CE2 3.47Å
131	D	88.7	Confident	89.3	Confident	47 Å²	47	30.1 Å²	30.1	25%	0.251	16%	0.156	S	C	.	.			trans	-105	-178.4	176.6	92.1	-56.8	0	0	0	111.7	R124 Q133 F134 S135	R124-D131 IonicContact NH2-OD1 3.79Å; D131-Q133 VanDerWaalsContact CG-N 3.31Å; D131-Q133 PolarHBondContact OD1-N 2.96Å; D131-Q133 VanDerWaalsContact OD2-CB 3.28Å; D131-Q133 WeakPolarHBondContact OD2-CB 3.48Å; D131-Q133 WeakPolarHBondContact OD2-CG 3.3Å; D131-Q133 PolarHBondContact OD2-N 3.12Å; D131-F134 WeakPolarHBondContact OD1-CB 3.27Å; D131-F134 PolarHBondContact OD1-N 3.43Å; D131-S135 VanDerWaalsContact O-CB 3.23Å; D131-S135 WeakPolarHBondContact O-CB 3.15Å; D131-S135 PolarHBondContact O-N 2.88Å; D131-S135 VanDerWaalsContact O-N 3.09Å; D131-S135 PolarHBondContact O-OG 3.01Å
132	L	88	Confident	89.7	Confident	82 Å²	82	30.1 Å²	30.1	43%	0.429	16%	0.156	S	C	.	.	H	α-helix	trans	-65	-39.9	177.6	-176.7	62.2	0	0	0	112.1	S135 Q136 Y166	L132-S135 PolarHBondContact O-N 2.74Å; L132-Q136 HydrophobicContact CD1-CG 4.3Å; L132-Q136 WeakPolarHBondContact O-CG 3.44Å; L132-Q136 PolarHBondContact O-N 3.45Å; L132-Y166 HydrophobicContact CB-CD1 4.24Å; L132-Y166 HydrophobicContact CB-CE1 4.41Å; L132-Y166 HydrophobicContact CD1-CD1 3.78Å; L132-Y166 HydrophobicContact CD1-CG 4.13Å
133	Q	85.3	Confident	90	Very high	124 Å²	124	29.5 Å²	29.5	58%	0.579	15%	0.153	S	C	*	.	H	α-helix	trans	-67	-49.8	-178.1	-59.8	-173.7	8.6	0	0	111.4	D131 S135 Q136 W137	D131-Q133 VanDerWaalsContact CG-N 3.31Å; D131-Q133 PolarHBondContact OD1-N 2.96Å; D131-Q133 VanDerWaalsContact OD2-CB 3.28Å; D131-Q133 WeakPolarHBondContact OD2-CB 3.48Å; D131-Q133 WeakPolarHBondContact OD2-CG 3.3Å; D131-Q133 PolarHBondContact OD2-N 3.12Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 2.83Å; Q133-Q136 PolarHBondContact O-N 2.96Å; Q133-W137 WeakPolarHBondContact O-CB 3.44Å; Q133-W137 PolarHBondContact O-N 3.17Å
134	F	89.3	Confident	90.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.2	-49.8	173.8	175.8	-86.9	0	0	0	110.8	L78 R124 E126 P130 D131 Q136 W137 V138 V141	L78-F134 HydrophobicContact CD1-CE1 3.86Å; L78-F134 HydrophobicContact CD1-CZ 4.28Å; L78-F134 HydrophobicContact CD2-CD1 4.44Å; L78-F134 HydrophobicContact CD2-CE1 3.75Å; L78-F134 HydrophobicContact CD2-CE2 4.28Å; L78-F134 HydrophobicContact CD2-CZ 3.63Å; L78-F134 HydrophobicContact CG-CE1 3.86Å; L78-F134 HydrophobicContact CG-CZ 3.75Å; R124-F134 HydrophobicContact CG-CD2 4.21Å; R124-F134 HydrophobicContact CG-CE2 4.36Å; E126-F134 HydrophobicContact CG-CD2 3.41Å; E126-F134 VanDerWaalsContact CG-CD2 3.41Å; E126-F134 HydrophobicContact CG-CE2 3.48Å; E126-F134 VanDerWaalsContact CG-CE2 3.48Å; E126-F134 HydrophobicContact CG-CG 4.13Å; E126-F134 HydrophobicContact CG-CZ 4.25Å; E126-F134 WeakPolarHBondContact OE1-CD2 3.19Å; P130-F134 HydrophobicContact CB-CD1 3.89Å; P130-F134 HydrophobicContact CB-CE1 4.27Å; D131-F134 WeakPolarHBondContact OD1-CB 3.27Å; D131-F134 PolarHBondContact OD1-N 3.43Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 3.11Å; F134-W137 PolarHBondContact O-N 2.72Å; F134-W137 VanDerWaalsContact O-N 3.07Å; F134-V138 HydrophobicContact CD1-CG1 4.21Å; F134-V138 HydrophobicContact CD2-CG1 4.27Å; F134-V138 HydrophobicContact CE1-CG1 3.86Å; F134-V138 HydrophobicContact CE2-CG1 3.94Å; F134-V138 HydrophobicContact CG-CG1 4.41Å; F134-V138 HydrophobicContact CZ-CG1 3.74Å; F134-V138 WeakPolarHBondContact O-CG2 3.36Å; F134-V138 PolarHBondContact O-N 3.18Å; F134-V141 HydrophobicContact CE1-CG2 4.1Å; F134-V141 HydrophobicContact CZ-CG2 4.3Å
135	S	90	Very high	90.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-34.7	-176.2	-59.6	0	0	0	0	112.9	D131 L132 Q133 L163 R167	D131-S135 VanDerWaalsContact O-CB 3.23Å; D131-S135 WeakPolarHBondContact O-CB 3.15Å; D131-S135 PolarHBondContact O-N 2.88Å; D131-S135 VanDerWaalsContact O-N 3.09Å; D131-S135 PolarHBondContact O-OG 3.01Å; L132-S135 PolarHBondContact O-N 2.74Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 2.83Å; S135-L163 WeakPolarHBondContact OG-CD1 3.19Å; S135-R167 WeakPolarHBondContact O-CD 3.49Å; S135-R167 PolarHBondContact O-NH1 3.06Å
136	Q	86.4	Confident	90.5	Very high	120 Å²	120	28.9 Å²	28.9	56%	0.561	15%	0.152	S	C	*	.	H	α-helix	trans	-80.3	-31.9	173.9	-69.2	-179.1	-2.9	0	0	112.8	L132 Q133 F134 R167	L132-Q136 HydrophobicContact CD1-CG 4.3Å; L132-Q136 WeakPolarHBondContact O-CG 3.44Å; L132-Q136 PolarHBondContact O-N 3.45Å; Q133-Q136 PolarHBondContact O-N 2.96Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 3.11Å; Q136-R167 PolarHBondContact O-NH1 2.99Å
137	W	87.2	Confident	90.7	Very high	64 Å²	64	27.3 Å²	27.3	24%	0.242	15%	0.145	C	C	.	.	H	α-helix	trans	-72.5	-41	-177.2	179.6	95.3	0	0	0	113.7	K74 L122 R124 Q133 F134	K74-W137 HydrophobicContact CB-CD2 4.19Å; K74-W137 HydrophobicContact CB-CE3 3.99Å; K74-W137 HydrophobicContact CB-CH2 3.84Å; K74-W137 HydrophobicContact CB-CZ2 4.06Å; K74-W137 HydrophobicContact CB-CZ3 3.8Å; K74-W137 HydrophobicContact CD-CD2 3.89Å; K74-W137 HydrophobicContact CD-CG 4.11Å; K74-W137 HydrophobicContact CD-CZ2 4.16Å; K74-W137 WeakPolarHBondContact CD-O 3.21Å; K74-W137 HydrophobicContact CG-CD2 4.35Å; K74-W137 HydrophobicContact CG-CH2 4.2Å; K74-W137 HydrophobicContact CG-CZ2 3.91Å; L122-W137 HydrophobicContact CB-CH2 3.91Å; L122-W137 HydrophobicContact CB-CZ2 3.84Å; L122-W137 HydrophobicContact CD1-CZ2 4.19Å; R124-W137 HydrophobicContact CB-CE3 4.34Å; R124-W137 HydrophobicContact CB-CH2 3.75Å; R124-W137 HydrophobicContact CB-CZ3 3.55Å; R124-W137 HydrophobicContact CG-CZ3 4.48Å; Q133-W137 WeakPolarHBondContact O-CB 3.44Å; Q133-W137 PolarHBondContact O-N 3.17Å; F134-W137 PolarHBondContact O-N 2.72Å; F134-W137 VanDerWaalsContact O-N 3.07Å
138	V	91.1	Very high	90.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.151	C	C	.	.			trans	-64.2	146.5	-173.1	-69.4	0	0	0	0	114.5	F134 V141 R167 L172	F134-V138 HydrophobicContact CD1-CG1 4.21Å; F134-V138 HydrophobicContact CD2-CG1 4.27Å; F134-V138 HydrophobicContact CE1-CG1 3.86Å; F134-V138 HydrophobicContact CE2-CG1 3.94Å; F134-V138 HydrophobicContact CG-CG1 4.41Å; F134-V138 HydrophobicContact CZ-CG1 3.74Å; F134-V138 WeakPolarHBondContact O-CG2 3.36Å; F134-V138 PolarHBondContact O-N 3.18Å; V138-V141 HydrophobicContact CB-CG2 4.22Å; V138-V141 HydrophobicContact CG1-CG2 4.19Å; V138-V141 HydrophobicContact CG2-CG2 3.93Å; V138-R167 VanDerWaalsContact O-CZ 3.28Å; V138-R167 PolarHBondContact O-NH1 2.81Å; V138-R167 PolarHBondContact O-NH2 2.81Å; V138-L172 HydrophobicContact CB-CD1 4.42Å; V138-L172 HydrophobicContact CG2-CD1 3.73Å; V138-L172 HydrophobicContact CG2-CD2 4.46Å
139	D	91.3	Very high	90.9	Very high	33 Å²	33	29.5 Å²	29.5	18%	0.176	15%	0.147	C	C	.	.	S	Bend	trans	-92.3	-26.9	162	-71.7	-82.5	0	0	0	111.9	K74 L172 P173 I230 R234	K74-D139 HydrophobicContact CB-CB 4.41Å; K74-D139 VanDerWaalsContact CB-OD2 3.28Å; K74-D139 WeakPolarHBondContact CB-OD2 3.39Å; K74-D139 PolarHBondContact N-OD2 2.58Å; K74-D139 WeakPolarHBondContact O-CA 3.09Å; K74-D139 WeakPolarHBondContact O-CB 3.37Å; K74-D139 PolarHBondContact O-N 2.96Å; D139-L172 WeakPolarHBondContact O-CD1 3.19Å; D139-P173 WeakPolarHBondContact O-CD 3.31Å; D139-I230 HydrophobicContact CB-CB 4.46Å; D139-I230 HydrophobicContact CB-CD1 3.96Å; D139-I230 HydrophobicContact CB-CG1 4.06Å; D139-I230 HydrophobicContact CB-CG2 3.57Å; D139-R234 IonicContact OD1-CZ 3.51Å; D139-R234 IonicContact OD1-NE 3.31Å; D139-R234 PolarHBondContact OD1-NE 3.43Å; D139-R234 VanDerWaalsContact OD1-NE 3.17Å; D139-R234 IonicContact OD1-NH2 3.18Å; D139-R234 PolarHBondContact OD1-NH2 2.94Å; D139-R234 IonicContact OD2-CZ 2.81Å; D139-R234 IonicContact OD2-NH2 3.3Å; D139-R234 PolarHBondContact OD2-NH2 3.47Å
140	G	93.8	Very high	91	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	164	177	0	0	0	0	0	112.3	K74 G76 P173	K74-G140 PolarHBondContact O-N 2.68Å; G76-G140 PolarHBondContact N-O 3.26Å; G140-P173 WeakPolarHBondContact CA-O 3.49Å
141	V	95.4	Very high	91	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.5	-172.6	171.5	0	0	0	0	112.1	G76 L78 F134 V138 F143 L163 L172 P173 I174 I175	G76-V141 WeakPolarHBondContact O-CA 3.44Å; L78-V141 HydrophobicContact CB-CG1 4.42Å; L78-V141 HydrophobicContact CD1-CG1 3.94Å; L78-V141 HydrophobicContact CG-CG1 4.09Å; F134-V141 HydrophobicContact CE1-CG2 4.1Å; F134-V141 HydrophobicContact CZ-CG2 4.3Å; V138-V141 HydrophobicContact CB-CG2 4.22Å; V138-V141 HydrophobicContact CG1-CG2 4.19Å; V138-V141 HydrophobicContact CG2-CG2 3.93Å; V141-F143 HydrophobicContact CG1-CD2 4Å; V141-F143 HydrophobicContact CG1-CE2 3.73Å; V141-F143 HydrophobicContact CG1-CZ 4.06Å; V141-L163 HydrophobicContact CG1-CD2 4.43Å; V141-L163 HydrophobicContact CG2-CD2 4.21Å; V141-L172 HydrophobicContact CB-CD2 4.38Å; V141-L172 HydrophobicContact CG2-CD2 3.9Å; V141-P173 PolarHBondContact N-O 2.99Å; V141-I174 WeakPolarHBondContact O-CA 3.2Å; V141-I175 PolarHBondContact O-N 3.36Å; V141-I175 VanDerWaalsContact O-N 3.14Å
142	I	96.5	Very high	91.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123	166.6	-60.2	162.4	0	0	0	108.2	L75 G76 L77 L78 V144 I175 V177 V222 F223 A226	L75-I142 HydrophobicContact CD1-CD1 4.09Å; L75-I142 HydrophobicContact CD1-CG1 4.15Å; L75-I142 HydrophobicContact CD2-CD1 3.93Å; L75-I142 HydrophobicContact CG-CD1 4.25Å; G76-I142 PolarHBondContact O-N 3.18Å; L77-I142 WeakPolarHBondContact CA-O 3.45Å; L77-I142 HydrophobicContact CD2-CB 4.48Å; L77-I142 HydrophobicContact CG-CB 4.26Å; L78-I142 PolarHBondContact N-O 3Å; I142-V144 HydrophobicContact CG2-CG2 3.94Å; I142-I175 WeakPolarHBondContact CA-O 3.36Å; I142-I175 HydrophobicContact CG1-CB 4.42Å; I142-V177 HydrophobicContact CG2-CB 4.29Å; I142-V177 HydrophobicContact CG2-CG2 3.53Å; I142-V222 HydrophobicContact CD1-CG1 3.87Å; I142-V222 HydrophobicContact CG1-CG1 4.39Å; I142-V222 HydrophobicContact CG2-CG1 4.33Å; I142-F223 HydrophobicContact CD1-CD1 4.31Å; I142-F223 HydrophobicContact CD1-CE1 4.24Å; I142-A226 HydrophobicContact CD1-CB 4.22Å; I142-A226 HydrophobicContact CG1-CB 4.32Å
143	F	96	Very high	91.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.3	167	-72.8	-83.6	0	0	0	110	L78 V141 V156 Y160 L163 I174 I175 L176 V177	L78-F143 HydrophobicContact CB-CD1 3.75Å; L78-F143 HydrophobicContact CB-CE1 3.77Å; L78-F143 HydrophobicContact CD1-CD1 4.38Å; L78-F143 HydrophobicContact CD1-CE1 3.56Å; L78-F143 HydrophobicContact CD1-CZ 3.79Å; L78-F143 HydrophobicContact CG-CE1 4.32Å; L78-F143 CarbonylContact O-C 3.54Å; L78-F143 VanDerWaalsContact O-CA 3.29Å; L78-F143 WeakPolarHBondContact O-CA 3.42Å; V141-F143 HydrophobicContact CG1-CD2 4Å; V141-F143 HydrophobicContact CG1-CE2 3.73Å; V141-F143 HydrophobicContact CG1-CZ 4.06Å; F143-V156 HydrophobicContact CB-CG1 3.84Å; F143-V156 HydrophobicContact CB-CG2 4.33Å; F143-V156 HydrophobicContact CD1-CG1 3.88Å; F143-V156 HydrophobicContact CG-CG1 3.96Å; F143-Y160 HydrophobicContact CE2-CD2 4.17Å; F143-Y160 HydrophobicContact CZ-CD2 4.24Å; F143-L163 HydrophobicContact CE2-CD2 4.26Å; F143-L163 HydrophobicContact CZ-CD2 3.86Å; F143-I174 HydrophobicContact CD2-CG2 3.74Å; F143-I174 HydrophobicContact CE2-CD1 4.5Å; F143-I174 HydrophobicContact CE2-CG2 3.93Å; F143-I175 PolarHBondContact N-O 3.45Å; F143-L176 HydrophobicContact CB-CD1 3.92Å; F143-L176 CarbonylContact O-C 3.54Å; F143-V177 PolarHBondContact O-N 2.9Å
144	V	95.5	Very high	91.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.7	-177.2	-164.6	0	0	0	0	110	L77 L78 G79 S83 K85 L88 I142 V177 T179	L77-V144 HydrophobicContact CD2-CG2 4.05Å; L78-V144 PolarHBondContact O-N 2.85Å; G79-V144 WeakPolarHBondContact CA-O 3.43Å; S83-V144 VanDerWaalsContact CB-O 3.32Å; S83-V144 WeakPolarHBondContact CB-O 3.44Å; S83-V144 WeakPolarHBondContact O-CG1 3.34Å; K85-V144 HydrophobicContact CB-CB 4.13Å; K85-V144 HydrophobicContact CB-CG1 4.39Å; K85-V144 HydrophobicContact CB-CG2 4.15Å; L88-V144 HydrophobicContact CD2-CG1 4.21Å; L88-V144 HydrophobicContact CD2-CG2 4.14Å; I142-V144 HydrophobicContact CG2-CG2 3.94Å; V144-V177 WeakPolarHBondContact CA-O 3.29Å; V144-V177 HydrophobicContact CG1-CB 4.49Å; V144-V177 HydrophobicContact CG1-CG1 4.43Å; V144-T179 HydrophobicContact CG1-CG2 3.61Å
145	F	94.8	Very high	91.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.2	170.6	71.5	-83.9	0	0	0	110.1	L147 Y153 V156 L176 V177 G178 T179 I191 A196 L199 Y208	F145-L147 HydrophobicContact CE2-CD2 3.97Å; F145-L147 HydrophobicContact CZ-CD2 4.37Å; F145-Y153 HydrophobicContact CD2-CD2 4.03Å; F145-Y153 HydrophobicContact CD2-CG 4.46Å; F145-Y153 AromaticContact CE2-CD2 3.93Å; F145-Y153 HydrophobicContact CE2-CD2 3.93Å; F145-Y153 HydrophobicContact CG-CD2 4.47Å; F145-Y153 HydrophobicContact CZ-CD2 4.28Å; F145-V156 HydrophobicContact CB-CG2 4.1Å; F145-L176 HydrophobicContact CD1-CD1 3.81Å; F145-L176 HydrophobicContact CD1-CG 4.31Å; F145-L176 HydrophobicContact CE1-CD1 3.84Å; F145-L176 HydrophobicContact CE1-CD2 4.08Å; F145-L176 HydrophobicContact CE1-CG 3.84Å; F145-V177 WeakPolarHBondContact CD1-O 3.49Å; F145-V177 WeakPolarHBondContact CE1-O 3.43Å; F145-V177 PolarHBondContact N-O 2.68Å; F145-G178 CarbonylContact O-C 3.57Å; F145-G178 WeakPolarHBondContact O-CA 3.47Å; F145-T179 PolarHBondContact O-N 2.83Å; F145-T179 PolarHBondContact O-OG1 3.27Å; F145-I191 HydrophobicContact CD2-CD1 3.96Å; F145-I191 HydrophobicContact CE2-CB 4.38Å; F145-I191 HydrophobicContact CE2-CD1 4.08Å; F145-I191 HydrophobicContact CE2-CG2 3.86Å; F145-I191 HydrophobicContact CZ-CG2 4.48Å; F145-A196 HydrophobicContact CZ-CB 3.89Å; F145-L199 HydrophobicContact CE1-CD2 4.49Å; F145-Y208 HydrophobicContact CE1-CE2 4.07Å; F145-Y208 AromaticContact CZ-CE2 3.95Å; F145-Y208 HydrophobicContact CZ-CE2 3.95Å
146	S	92.6	Very high	92.1	Very high	13 Å²	13	31 Å²	31	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.7	173.8	166.4	0	0	0	0	110.9	E148 N149 S152 T179 I191	S146-E148 PolarHBondContact O-N 2.77Å; S146-E148 VanDerWaalsContact O-N 3.16Å; S146-E148 PolarHBondContact OG-N 2.9Å; S146-E148 VanDerWaalsContact OG-N 3.13Å; S146-N149 PolarHBondContact O-N 2.88Å; S146-N149 PolarHBondContact OG-N 3.32Å; S146-S152 PolarHBondContact N-OG 3.4Å; S146-S152 PolarHBondContact O-OG 3.26Å; S146-T179 VanDerWaalsContact CA-OG1 3.31Å; S146-T179 WeakPolarHBondContact CA-OG1 3.47Å; S146-I191 WeakPolarHBondContact O-CD1 3.3Å
147	L	91.7	Very high	92.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-65.6	-11.6	174	-71.3	171.7	0	0	0	113.5	F145 T179 Q180 R189 V190 I191 E210	F145-L147 HydrophobicContact CE2-CD2 3.97Å; F145-L147 HydrophobicContact CZ-CD2 4.37Å; L147-T179 WeakPolarHBondContact CB-O 3.26Å; L147-T179 WeakPolarHBondContact CG-O 3.43Å; L147-T179 PolarHBondContact N-O 3.48Å; L147-Q180 HydrophobicContact CD1-CB 4.34Å; L147-R189 HydrophobicContact CB-CG 4.49Å; L147-V190 PolarHBondContact O-N 3.3Å; L147-I191 HydrophobicContact CD2-CB 4.44Å; L147-I191 HydrophobicContact CD2-CG2 4.45Å; L147-I191 PolarHBondContact O-N 3.39Å; L147-I191 VanDerWaalsContact O-N 3.09Å; L147-E210 HydrophobicContact CD1-CG 4.28Å
148	E	87.6	Confident	92.6	Very high	55 Å²	55	31.4 Å²	31.4	26%	0.257	15%	0.154	S	C	.	.	S	Bend	trans	-103.1	-30.1	-177.3	-59.7	160.5	-153.1	0	0	111.9	S146 S182 Y187 V190	S146-E148 PolarHBondContact O-N 2.77Å; S146-E148 VanDerWaalsContact O-N 3.16Å; S146-E148 PolarHBondContact OG-N 2.9Å; S146-E148 VanDerWaalsContact OG-N 3.13Å; E148-S182 WeakPolarHBondContact OE1-CB 3.47Å; E148-S182 PolarHBondContact OE1-OG 2.95Å; E148-S182 VanDerWaalsContact OE2-CB 3.22Å; E148-S182 WeakPolarHBondContact OE2-CB 3.15Å; E148-S182 PolarHBondContact OE2-OG 2.89Å; E148-S182 VanDerWaalsContact OE2-OG 3.08Å; E148-Y187 HydrophobicContact CG-CD2 4.28Å; E148-Y187 HydrophobicContact CG-CE2 3.83Å; E148-Y187 WeakPolarHBondContact OE1-CE2 3.23Å; E148-V190 WeakPolarHBondContact O-CB 3.39Å; E148-V190 WeakPolarHBondContact O-CG2 3.39Å
149	N	87.3	Confident	92.8	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.134	16%	0.159	C	C	.	.			trans	-102.8	114.5	179.1	-178.6	-44.7	0	0	0	111.9	Q82 S146 E151 S152 I191	Q82-N149 PolarHBondContact OE1-ND2 3.35Å; S146-N149 PolarHBondContact O-N 2.88Å; S146-N149 PolarHBondContact OG-N 3.32Å; N149-E151 PolarHBondContact ND2-OE2 3.36Å; N149-E151 VanDerWaalsContact OD1-CA 3.32Å; N149-E151 WeakPolarHBondContact OD1-CA 3.38Å; N149-E151 VanDerWaalsContact OD1-CB 3.27Å; N149-E151 WeakPolarHBondContact OD1-CB 3.41Å; N149-E151 PolarHBondContact OD1-N 3.03Å; N149-E151 PolarHBondContact OD1-OE2 2.97Å; N149-S152 PolarHBondContact O-N 3.05Å; N149-S152 PolarHBondContact O-OG 3.37Å; N149-S152 PolarHBondContact OD1-N 3.35Å; N149-I191 WeakPolarHBondContact O-CD1 3.48Å
150	I	90.7	Very high	92.9	Very high	53 Å²	53	33.1 Å²	33.1	27%	0.272	16%	0.158	S	C	.	.	H	α-helix	trans	-71.3	-29.8	179.1	-169	58.9	0	0	0	114.7	Y153 Q154 V190 I191	I150-Y153 HydrophobicContact CD1-CD1 3.99Å; I150-Y153 HydrophobicContact CD1-CG 4.46Å; I150-Y153 PolarHBondContact O-N 2.88Å; I150-Q154 WeakPolarHBondContact O-CG 3.48Å; I150-Q154 PolarHBondContact O-N 2.76Å; I150-Q154 VanDerWaalsContact O-N 3.09Å; I150-V190 HydrophobicContact CB-CG1 4Å; I150-I191 HydrophobicContact CD1-CD1 4.42Å; I150-I191 HydrophobicContact CD1-CG1 3.88Å
151	E	91.1	Very high	92.8	Very high	111 Å²	111	35.4 Å²	35.4	52%	0.519	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-41.7	175.1	-54.9	127.6	-171.3	0	0	110.1	N149 Y153 Q154 V155	N149-E151 PolarHBondContact ND2-OE2 3.36Å; N149-E151 VanDerWaalsContact OD1-CA 3.32Å; N149-E151 WeakPolarHBondContact OD1-CA 3.38Å; N149-E151 VanDerWaalsContact OD1-CB 3.27Å; N149-E151 WeakPolarHBondContact OD1-CB 3.41Å; N149-E151 PolarHBondContact OD1-N 3.03Å; N149-E151 PolarHBondContact OD1-OE2 2.97Å; E151-Y153 PolarHBondContact O-N 3.46Å; E151-Q154 PolarHBondContact O-N 3.29Å; E151-V155 VanDerWaalsContact O-CG2 3.3Å; E151-V155 WeakPolarHBondContact O-CG2 3.31Å; E151-V155 PolarHBondContact O-N 2.94Å
152	S	92	Very high	92.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-36.2	176.3	81.2	0	0	0	0	112.2	S80 S146 N149	S80-S152 WeakPolarHBondContact OG-CA 3.42Å; S80-S152 WeakPolarHBondContact OG-CB 3.4Å; S146-S152 PolarHBondContact N-OG 3.4Å; S146-S152 PolarHBondContact O-OG 3.26Å; N149-S152 PolarHBondContact O-N 3.05Å; N149-S152 PolarHBondContact O-OG 3.37Å; N149-S152 PolarHBondContact OD1-N 3.35Å
153	Y	93.7	Very high	92.4	Very high	24 Å²	24	39.9 Å²	39.9	9%	0.094	19%	0.193	C	C	.	.	H	α-helix	trans	-72.2	-35.4	174.3	166.6	-81.9	0	0	0	112.6	F145 I150 E151 I191 R195 L199	F145-Y153 HydrophobicContact CD2-CD2 4.03Å; F145-Y153 HydrophobicContact CD2-CG 4.46Å; F145-Y153 AromaticContact CE2-CD2 3.93Å; F145-Y153 HydrophobicContact CE2-CD2 3.93Å; F145-Y153 HydrophobicContact CG-CD2 4.47Å; F145-Y153 HydrophobicContact CZ-CD2 4.28Å; I150-Y153 HydrophobicContact CD1-CD1 3.99Å; I150-Y153 HydrophobicContact CD1-CG 4.46Å; I150-Y153 PolarHBondContact O-N 2.88Å; E151-Y153 PolarHBondContact O-N 3.46Å; Y153-I191 HydrophobicContact CD2-CD1 4.39Å; Y153-I191 HydrophobicContact CD2-CG1 4.27Å; Y153-I191 HydrophobicContact CD2-CG2 3.93Å; Y153-I191 HydrophobicContact CE2-CG2 4.22Å; Y153-I191 HydrophobicContact CG-CD1 4.13Å; Y153-I191 HydrophobicContact CG-CG1 4.16Å; Y153-R195 HydrophobicContact CE1-CG 4.36Å; Y153-R195 HydrophobicContact CE2-CG 4.1Å; Y153-R195 WeakPolarHBondContact OH-CG 3.24Å; Y153-R195 PolarHBondContact OH-O 3.06Å; Y153-L199 HydrophobicContact CD2-CD2 3.69Å; Y153-L199 HydrophobicContact CE2-CB 3.81Å; Y153-L199 HydrophobicContact CE2-CD2 3.46Å; Y153-L199 VanDerWaalsContact CE2-CD2 3.46Å; Y153-L199 HydrophobicContact CE2-CG 4.22Å
154	Q	92.4	Very high	92.1	Very high	114 Å²	114	42.5 Å²	42.5	53%	0.533	21%	0.212	S	C	.	.	H	α-helix	trans	-69.3	-45.4	176.1	-72.1	172.9	-5.9	0	0	111.5	I150 E151 V156 Y157	I150-Q154 WeakPolarHBondContact O-CG 3.48Å; I150-Q154 PolarHBondContact O-N 2.76Å; I150-Q154 VanDerWaalsContact O-N 3.09Å; E151-Q154 PolarHBondContact O-N 3.29Å; Q154-V156 PolarHBondContact O-N 2.91Å; Q154-V156 VanDerWaalsContact O-N 3.11Å; Q154-Y157 WeakPolarHBondContact O-CB 3.46Å; Q154-Y157 PolarHBondContact O-N 3.21Å
155	V	93.4	Very high	92	Very high	34 Å²	34	47.5 Å²	47.5	21%	0.206	24%	0.242	C	C	.	.	H	α-helix	trans	-55.1	-30.9	-179.4	166.4	0	0	0	0	113.1	E151 Y157 D158 Y159	E151-V155 VanDerWaalsContact O-CG2 3.3Å; E151-V155 WeakPolarHBondContact O-CG2 3.31Å; E151-V155 PolarHBondContact O-N 2.94Å; V155-Y157 VanDerWaalsContact C-N 3.28Å; V155-Y157 PolarHBondContact O-N 2.88Å; V155-D158 PolarHBondContact O-N 2.93Å; V155-Y159 HydrophobicContact CG1-CD1 3.69Å; V155-Y159 HydrophobicContact CG1-CD2 4.1Å; V155-Y159 HydrophobicContact CG1-CE1 3.37Å; V155-Y159 HydrophobicContact CG1-CE2 3.82Å; V155-Y159 HydrophobicContact CG1-CG 4.04Å; V155-Y159 VanDerWaalsContact CG1-CZ 3.44Å; V155-Y159 WeakPolarHBondContact O-CB 3.47Å; V155-Y159 WeakPolarHBondContact O-CD1 3.34Å; V155-Y159 PolarHBondContact O-N 3.31Å
156	V	94.1	Very high	91.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-36.9	175.2	170.3	0	0	0	0	112.6	F143 F145 Q154 Y160 L176 L199 L203	F143-V156 HydrophobicContact CB-CG1 3.84Å; F143-V156 HydrophobicContact CB-CG2 4.33Å; F143-V156 HydrophobicContact CD1-CG1 3.88Å; F143-V156 HydrophobicContact CG-CG1 3.96Å; F145-V156 HydrophobicContact CB-CG2 4.1Å; Q154-V156 PolarHBondContact O-N 2.91Å; Q154-V156 VanDerWaalsContact O-N 3.11Å; V156-Y160 WeakPolarHBondContact O-CB 3.31Å; V156-Y160 PolarHBondContact O-N 3.29Å; V156-L176 HydrophobicContact CG1-CD1 3.99Å; V156-L199 HydrophobicContact CB-CD2 4.36Å; V156-L199 HydrophobicContact CG1-CD1 4.36Å; V156-L199 HydrophobicContact CG1-CD2 4.06Å; V156-L203 HydrophobicContact CG1-CD1 3.78Å
157	Y	91.5	Very high	91.5	Very high	83 Å²	83	53 Å²	53	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-47.4	177.2	-95.3	-63.4	0	0	0	111.8	Q154 V155 Y159 Y160 A161 L199 D202	Q154-Y157 WeakPolarHBondContact O-CB 3.46Å; Q154-Y157 PolarHBondContact O-N 3.21Å; V155-Y157 VanDerWaalsContact C-N 3.28Å; V155-Y157 PolarHBondContact O-N 2.88Å; Y157-Y159 VanDerWaalsContact C-N 3.34Å; Y157-Y159 PolarHBondContact O-N 3.01Å; Y157-Y160 PolarHBondContact O-N 3.05Å; Y157-A161 WeakPolarHBondContact O-CB 3.47Å; Y157-A161 PolarHBondContact O-N 2.95Å; Y157-L199 HydrophobicContact CD1-CD1 4.3Å; Y157-L199 HydrophobicContact CD2-CD1 3.76Å; Y157-L199 HydrophobicContact CE1-CD1 3.96Å; Y157-L199 HydrophobicContact CE2-CD1 3.39Å; Y157-L199 HydrophobicContact CG-CD1 4.2Å; Y157-L199 VanDerWaalsContact CZ-CD1 3.48Å; Y157-D202 HydrophobicContact CE1-CB 4.37Å; Y157-D202 VanDerWaalsContact OH-CB 3.27Å; Y157-D202 WeakPolarHBondContact OH-CB 3.3Å; Y157-D202 PolarHBondContact OH-OD2 3.46Å
158	D	92.6	Very high	91	Very high	109 Å²	109	56.5 Å²	56.5	58%	0.583	29%	0.286	S	S	*	.	H	α-helix	trans	-65.7	-39.7	-178.8	-61.8	-33.6	0	0	0	111.3	V155 A161 R162	V155-D158 PolarHBondContact O-N 2.93Å; D158-A161 PolarHBondContact O-N 3.1Å; D158-R162 VanDerWaalsContact O-CB 3.29Å; D158-R162 WeakPolarHBondContact O-CB 3.38Å; D158-R162 PolarHBondContact O-N 2.7Å
159	Y	94.4	Very high	90.8	Very high	33 Å²	33	54.5 Å²	54.5	13%	0.129	28%	0.278	C	S	.	.	H	α-helix	trans	-69.9	-36.6	178.3	-75.1	23.9	0	0	0	111.2	L78 G79 G128 P129 P130 V155 Y157 L163	L78-Y159 HydrophobicContact CB-CD2 4.25Å; G79-Y159 WeakPolarHBondContact O-CE2 3.5Å; G128-Y159 VanDerWaalsContact O-CE2 3.32Å; G128-Y159 WeakPolarHBondContact O-CE2 3.29Å; P129-Y159 HydrophobicContact CB-CD1 3.85Å; P129-Y159 HydrophobicContact CB-CE1 3.49Å; P129-Y159 VanDerWaalsContact CB-CE1 3.49Å; P129-Y159 HydrophobicContact CB-CE2 4.5Å; P129-Y159 HydrophobicContact CG-CE1 4.38Å; P130-Y159 WeakPolarHBondContact CG-O 3.25Å; V155-Y159 HydrophobicContact CG1-CD1 3.69Å; V155-Y159 HydrophobicContact CG1-CD2 4.1Å; V155-Y159 HydrophobicContact CG1-CE1 3.37Å; V155-Y159 HydrophobicContact CG1-CE2 3.82Å; V155-Y159 HydrophobicContact CG1-CG 4.04Å; V155-Y159 VanDerWaalsContact CG1-CZ 3.44Å; V155-Y159 WeakPolarHBondContact O-CB 3.47Å; V155-Y159 WeakPolarHBondContact O-CD1 3.34Å; V155-Y159 PolarHBondContact O-N 3.31Å; Y157-Y159 VanDerWaalsContact C-N 3.34Å; Y157-Y159 PolarHBondContact O-N 3.01Å; Y159-L163 VanDerWaalsContact O-CB 3.29Å; Y159-L163 WeakPolarHBondContact O-CB 3.44Å; Y159-L163 PolarHBondContact O-N 2.8Å
160	Y	93.5	Very high	90.4	Very high	38 Å²	38	57.6 Å²	57.6	15%	0.149	30%	0.302	C	S	.	.	H	α-helix	trans	-67.5	-42.8	172.3	171.5	-99.6	0	0	0	112.3	F143 V156 Y157 R162 L163 S164 T169 I174 L203 K204	F143-Y160 HydrophobicContact CE2-CD2 4.17Å; F143-Y160 HydrophobicContact CZ-CD2 4.24Å; V156-Y160 WeakPolarHBondContact O-CB 3.31Å; V156-Y160 PolarHBondContact O-N 3.29Å; Y157-Y160 PolarHBondContact O-N 3.05Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-R162 PolarHBondContact O-N 2.93Å; Y160-L163 PolarHBondContact O-N 2.87Å; Y160-S164 PolarHBondContact O-N 2.85Å; Y160-T169 HydrophobicContact CE2-CG2 4.01Å; Y160-I174 HydrophobicContact CD2-CD1 4.08Å; Y160-I174 HydrophobicContact CE2-CD1 3.72Å; Y160-L203 HydrophobicContact CD1-CD2 3.5Å; Y160-L203 VanDerWaalsContact CD1-CD2 3.5Å; Y160-L203 HydrophobicContact CD2-CD2 3.69Å; Y160-L203 HydrophobicContact CE1-CD2 4.05Å; Y160-L203 HydrophobicContact CE2-CD2 4.22Å; Y160-L203 HydrophobicContact CG-CD2 3.29Å; Y160-K204 WeakPolarHBondContact OH-CE 3.26Å
161	A	92.1	Very high	90	Very high	49 Å²	49	56.4 Å²	56.4	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-47	175.3	0	0	0	0	0	110.7	Y157 D158 S164 T165	Y157-A161 WeakPolarHBondContact O-CB 3.47Å; Y157-A161 PolarHBondContact O-N 2.95Å; D158-A161 PolarHBondContact O-N 3.1Å; A161-S164 WeakPolarHBondContact O-CB 3.47Å; A161-S164 PolarHBondContact O-N 3.02Å; A161-S164 VanDerWaalsContact O-N 3.11Å; A161-S164 PolarHBondContact O-OG 2.81Å; A161-T165 PolarHBondContact O-N 2.84Å
162	R	92.1	Very high	89.9	Confident	97 Å²	97	51.6 Å²	51.6	37%	0.366	28%	0.276	S	S	.	.	H	α-helix	trans	-70.3	-30.9	178.7	-177.6	168.1	149.5	165	-9.5	113.7	P129 P130 D158 Y160 S164 T165 Y166	P129-R162 PolarHBondContact O-NH2 3.31Å; P130-R162 HydrophobicContact CG-CB 4.48Å; P130-R162 HydrophobicContact CG-CG 4.45Å; P130-R162 PolarHBondContact O-NE 3.46Å; P130-R162 PolarHBondContact O-NH2 3.18Å; P130-R162 VanDerWaalsContact O-NH2 3.09Å; D158-R162 VanDerWaalsContact O-CB 3.29Å; D158-R162 WeakPolarHBondContact O-CB 3.38Å; D158-R162 PolarHBondContact O-N 2.7Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-R162 PolarHBondContact O-N 2.93Å; R162-S164 VanDerWaalsContact C-N 3.3Å; R162-T165 PolarHBondContact O-OG1 2.85Å; R162-Y166 HydrophobicContact CG-CE2 3.89Å; R162-Y166 WeakPolarHBondContact O-CD2 3.37Å
163	L	92	Very high	89.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-38.1	167.5	179.2	61.4	0	0	0	111.2	L78 P130 S135 V141 F143 Y159 Y160 T165 Y166 R167 T169 L172	L78-L163 HydrophobicContact CD1-CD2 4.35Å; P130-L163 HydrophobicContact CG-CB 4.16Å; S135-L163 WeakPolarHBondContact OG-CD1 3.19Å; V141-L163 HydrophobicContact CG1-CD2 4.43Å; V141-L163 HydrophobicContact CG2-CD2 4.21Å; F143-L163 HydrophobicContact CE2-CD2 4.26Å; F143-L163 HydrophobicContact CZ-CD2 3.86Å; Y159-L163 VanDerWaalsContact O-CB 3.29Å; Y159-L163 WeakPolarHBondContact O-CB 3.44Å; Y159-L163 PolarHBondContact O-N 2.8Å; Y160-L163 PolarHBondContact O-N 2.87Å; L163-T165 VanDerWaalsContact C-N 3.33Å; L163-T165 PolarHBondContact O-N 2.86Å; L163-Y166 PolarHBondContact O-N 2.89Å; L163-R167 PolarHBondContact O-N 2.72Å; L163-T169 HydrophobicContact CG-CG2 4.33Å; L163-L172 HydrophobicContact CD2-CD2 3.87Å; L163-L172 HydrophobicContact CG-CD2 4.46Å
164	S	90.1	Very high	89.9	Confident	55 Å²	55	52 Å²	52	39%	0.385	28%	0.28	S	S	.	.	H	α-helix	trans	-70.4	-20.7	-177.8	81.9	0	0	0	0	115.2	Y160 A161 R162	Y160-S164 PolarHBondContact O-N 2.85Å; A161-S164 WeakPolarHBondContact O-CB 3.47Å; A161-S164 PolarHBondContact O-N 3.02Å; A161-S164 VanDerWaalsContact O-N 3.11Å; A161-S164 PolarHBondContact O-OG 2.81Å; R162-S164 VanDerWaalsContact C-N 3.3Å
165	T	91.5	Very high	90.1	Very high	105 Å²	105	46.6 Å²	46.6	64%	0.644	26%	0.255	S	S	*	.	H	α-helix	trans	-77.5	-29.4	175.5	59.8	0	0	0	0	112.5	A161 R162 L163	A161-T165 PolarHBondContact O-N 2.84Å; R162-T165 PolarHBondContact O-OG1 2.85Å; L163-T165 VanDerWaalsContact C-N 3.33Å; L163-T165 PolarHBondContact O-N 2.86Å
166	Y	89.6	Confident	90.2	Very high	91 Å²	91	45 Å²	45	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-90.2	-27	-179.8	-59.9	-49.1	0	0	0	113.9	P130 L132 R162 L163	P130-Y166 WeakPolarHBondContact O-CE2 3.47Å; L132-Y166 HydrophobicContact CB-CD1 4.24Å; L132-Y166 HydrophobicContact CB-CE1 4.41Å; L132-Y166 HydrophobicContact CD1-CD1 3.78Å; L132-Y166 HydrophobicContact CD1-CG 4.13Å; R162-Y166 HydrophobicContact CG-CE2 3.89Å; R162-Y166 WeakPolarHBondContact O-CD2 3.37Å; L163-Y166 PolarHBondContact O-N 2.89Å
167	R	87.7	Confident	90.3	Very high	37 Å²	37	45 Å²	45	14%	0.14	25%	0.245	C	C	.	.	S	Bend	trans	-151.2	144.7	-179.5	-177.4	169.1	173.5	177.1	-6.9	113.1	S135 Q136 V138 L163 T169	S135-R167 WeakPolarHBondContact O-CD 3.49Å; S135-R167 PolarHBondContact O-NH1 3.06Å; Q136-R167 PolarHBondContact O-NH1 2.99Å; V138-R167 VanDerWaalsContact O-CZ 3.28Å; V138-R167 PolarHBondContact O-NH1 2.81Å; V138-R167 PolarHBondContact O-NH2 2.81Å; L163-R167 PolarHBondContact O-N 2.72Å; R167-T169 PolarHBondContact O-N 3.03Å
168	S	82.6	Confident	90.5	Very high	73 Å²	73	41 Å²	41	51%	0.51	23%	0.23	S	C	.	.			trans	-63.6	107.9	169.9	-176.8	0	0	0	0	111.3	S170 S171	S168-S170 PolarHBondContact O-N 3.23Å; S168-S170 PolarHBondContact OG-N 3.07Å; S168-S170 PolarHBondContact OG-OG 2.93Å; S168-S171 PolarHBondContact O-N 3.46Å; S168-S171 VanDerWaalsContact O-N 3.09Å; S168-S171 PolarHBondContact O-OG 3.23Å
169	T	82.2	Confident	90.5	Very high	13 Å²	13	36 Å²	36	8%	0.08	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	9.5	173.8	52.3	0	0	0	0	113.5	Y160 L163 R167 I174 K204	Y160-T169 HydrophobicContact CE2-CG2 4.01Å; L163-T169 HydrophobicContact CG-CG2 4.33Å; R167-T169 PolarHBondContact O-N 3.03Å; T169-I174 HydrophobicContact CG2-CD1 4.44Å; T169-K204 PolarHBondContact O-NZ 3.45Å; T169-K204 WeakPolarHBondContact OG1-CE 3.31Å; T169-K204 PolarHBondContact OG1-NZ 3.43Å
170	S	80.2	Confident	90.1	Very high	91 Å²	91	37.6 Å²	37.6	64%	0.636	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-18.6	167	64.5	0	0	0	0	113	S168	S168-S170 PolarHBondContact O-N 3.23Å; S168-S170 PolarHBondContact OG-N 3.07Å; S168-S170 PolarHBondContact OG-OG 2.93Å
171	S	81.1	Confident	89.1	Confident	28 Å²	28	36.4 Å²	36.4	20%	0.196	21%	0.207	C	C	.	.	S	Bend	trans	-96.7	13.6	-178.7	65.6	0	0	0	0	113.6	S168	S168-S171 PolarHBondContact O-N 3.46Å; S168-S171 VanDerWaalsContact O-N 3.09Å; S168-S171 PolarHBondContact O-OG 3.23Å
172	L	88.4	Confident	87.6	Confident	10 Å²	10	35.9 Å²	35.9	5%	0.052	20%	0.201	C	C	.	.	S	Bend	trans	-141.4	119.8	-163.2	-165.6	77.1	0	0	0	109.6	V138 D139 V141 L163	V138-L172 HydrophobicContact CB-CD1 4.42Å; V138-L172 HydrophobicContact CG2-CD1 3.73Å; V138-L172 HydrophobicContact CG2-CD2 4.46Å; D139-L172 WeakPolarHBondContact O-CD1 3.19Å; V141-L172 HydrophobicContact CB-CD2 4.38Å; V141-L172 HydrophobicContact CG2-CD2 3.9Å; L163-L172 HydrophobicContact CD2-CD2 3.87Å; L163-L172 HydrophobicContact CG-CD2 4.46Å
173	P	92.7	Very high	85.9	Confident	14 Å²	14	36 Å²	36	9%	0.091	21%	0.209	C	C	.	.			trans	-66.3	135.6	169.9	-19.7	35.5	0	0	0	110	D139 G140 V141 K229 I230 L233	D139-P173 WeakPolarHBondContact O-CD 3.31Å; G140-P173 WeakPolarHBondContact CA-O 3.49Å; V141-P173 PolarHBondContact N-O 2.99Å; P173-K229 HydrophobicContact CB-CB 3.79Å; P173-K229 HydrophobicContact CG-CB 4.07Å; P173-I230 HydrophobicContact CG-CG1 3.86Å; P173-L233 HydrophobicContact CG-CD1 3.67Å; P173-L233 HydrophobicContact CG-CG 4.23Å
174	I	94.2	Very high	83.7	Confident	17 Å²	17	40.6 Å²	40.6	9%	0.087	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.8	177.4	-62.5	176.9	0	0	0	108.4	V141 F143 Y160 T169 C206	V141-I174 WeakPolarHBondContact O-CA 3.2Å; F143-I174 HydrophobicContact CD2-CG2 3.74Å; F143-I174 HydrophobicContact CE2-CD1 4.5Å; F143-I174 HydrophobicContact CE2-CG2 3.93Å; Y160-I174 HydrophobicContact CD2-CD1 4.08Å; Y160-I174 HydrophobicContact CE2-CD1 3.72Å; T169-I174 HydrophobicContact CG2-CD1 4.44Å; I174-C206 HydrophobicContact CB-CB 4.27Å; I174-C206 HydrophobicContact CG2-CB 3.98Å; I174-C206 VanDerWaalsContact O-CB 3.27Å; I174-C206 WeakPolarHBondContact O-CB 3.37Å
175	I	95.5	Very high	81.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.3	170.6	-63.2	-178.5	0	0	0	108	V141 I142 F143 V177 Y209 V222 D225 A226	V141-I175 PolarHBondContact O-N 3.36Å; V141-I175 VanDerWaalsContact O-N 3.14Å; I142-I175 WeakPolarHBondContact CA-O 3.36Å; I142-I175 HydrophobicContact CG1-CB 4.42Å; F143-I175 PolarHBondContact N-O 3.45Å; I175-V177 HydrophobicContact CG2-CG2 4.16Å; I175-Y209 HydrophobicContact CG2-CD2 3.68Å; I175-Y209 HydrophobicContact CG2-CE2 3.96Å; I175-V222 HydrophobicContact CG2-CG1 4.44Å; I175-D225 HydrophobicContact CD1-CB 4.19Å; I175-D225 WeakPolarHBondContact CD1-OD2 3.45Å; I175-A226 HydrophobicContact CD1-CB 3.82Å
176	L	96.5	Very high	79.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.3	174.9	-178.8	70.3	0	0	0	109.8	F143 F145 V156 L199 A200 L203 A207 Y208 Y209	F143-L176 HydrophobicContact CB-CD1 3.92Å; F143-L176 CarbonylContact O-C 3.54Å; F145-L176 HydrophobicContact CD1-CD1 3.81Å; F145-L176 HydrophobicContact CD1-CG 4.31Å; F145-L176 HydrophobicContact CE1-CD1 3.84Å; F145-L176 HydrophobicContact CE1-CD2 4.08Å; F145-L176 HydrophobicContact CE1-CG 3.84Å; V156-L176 HydrophobicContact CG1-CD1 3.99Å; L176-L199 HydrophobicContact CD1-CD2 3.93Å; L176-L199 HydrophobicContact CD1-CG 4.35Å; L176-L199 HydrophobicContact CD2-CB 4.04Å; L176-L199 HydrophobicContact CD2-CD2 3.84Å; L176-L199 HydrophobicContact CD2-CG 3.72Å; L176-A200 HydrophobicContact CD2-CB 3.87Å; L176-L203 HydrophobicContact CD1-CD1 4.01Å; L176-L203 HydrophobicContact CD2-CD1 4.43Å; L176-A207 PolarHBondContact N-O 3.32Å; L176-Y208 HydrophobicContact CB-CD2 4.43Å; L176-Y208 HydrophobicContact CD2-CD2 4Å; L176-Y208 HydrophobicContact CG-CD2 4.1Å; L176-Y208 WeakPolarHBondContact O-CA 3.35Å; L176-Y209 PolarHBondContact O-N 2.85Å
177	V	96.3	Very high	78	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.2	-176.4	178.8	0	0	0	0	110.5	L88 I142 F143 V144 F145 I175 T179 Y209 T211 V222	L88-V177 HydrophobicContact CD2-CG1 3.95Å; I142-V177 HydrophobicContact CG2-CB 4.29Å; I142-V177 HydrophobicContact CG2-CG2 3.53Å; F143-V177 PolarHBondContact O-N 2.9Å; V144-V177 WeakPolarHBondContact CA-O 3.29Å; V144-V177 HydrophobicContact CG1-CB 4.49Å; V144-V177 HydrophobicContact CG1-CG1 4.43Å; F145-V177 WeakPolarHBondContact CD1-O 3.49Å; F145-V177 WeakPolarHBondContact CE1-O 3.43Å; F145-V177 PolarHBondContact N-O 2.68Å; I175-V177 HydrophobicContact CG2-CG2 4.16Å; V177-T179 HydrophobicContact CG1-CG2 4.4Å; V177-Y209 WeakPolarHBondContact CA-O 3.48Å; V177-T211 HydrophobicContact CG1-CG2 3.71Å; V177-T211 WeakPolarHBondContact CG1-OG1 3.34Å; V177-V222 HydrophobicContact CG2-CG1 3.71Å; V177-V222 HydrophobicContact CG2-CG2 4.1Å
178	G	94.6	Very high	77	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.1	163.5	0	0	0	0	0	110.1	F145 Y209 E210 T211	F145-G178 CarbonylContact O-C 3.57Å; F145-G178 WeakPolarHBondContact O-CA 3.47Å; G178-Y209 PolarHBondContact N-O 2.88Å; G178-E210 WeakPolarHBondContact O-CA 3.3Å; G178-T211 PolarHBondContact O-N 3.33Å; G178-T211 PolarHBondContact O-OG1 3.13Å
179	T	92.6	Very high	77.1	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	151.5	173.8	53.7	0	0	0	0	111.6	S83 V144 F145 S146 L147 V177 T211	S83-T179 WeakPolarHBondContact O-CG2 3.35Å; S83-T179 PolarHBondContact O-OG1 3.09Å; V144-T179 HydrophobicContact CG1-CG2 3.61Å; F145-T179 PolarHBondContact O-N 2.83Å; F145-T179 PolarHBondContact O-OG1 3.27Å; S146-T179 VanDerWaalsContact CA-OG1 3.31Å; S146-T179 WeakPolarHBondContact CA-OG1 3.47Å; L147-T179 WeakPolarHBondContact CB-O 3.26Å; L147-T179 WeakPolarHBondContact CG-O 3.43Å; L147-T179 PolarHBondContact N-O 3.48Å; V177-T179 HydrophobicContact CG1-CG2 4.4Å; T179-T211 CarbonylContact C-O 3.54Å; T179-T211 WeakPolarHBondContact CA-O 3.33Å
180	Q	87.1	Confident	77.3	Confident	67 Å²	67	52.7 Å²	52.7	31%	0.313	29%	0.292	S	S	.	.			trans	-137.9	82.7	173.5	-174	-174.9	-1.7	0	0	108	L147 Y187 T211 C212	L147-Q180 HydrophobicContact CD1-CB 4.34Å; Q180-Y187 HydrophobicContact CG-CE2 3.72Å; Q180-T211 PolarHBondContact N-O 3.15Å; Q180-C212 WeakPolarHBondContact O-CB 3.36Å; Q180-C212 PolarHBondContact O-SG 2.95Å
181	D	72.8	Confident	77.7	Confident	13 Å²	13	48.3 Å²	48.3	7%	0.07	26%	0.262	C	S	.	.			trans	-111.2	-1.6	-168	-66.9	-27.5	0	0	0	113.8	Y97 A213	Y97-D181 HydrophobicContact CE2-CB 4.45Å; Y97-D181 PolarHBondContact OH-O 3.46Å; D181-A213 WeakPolarHBondContact OD1-CB 3.48Å; D181-A213 PolarHBondContact OD1-N 2.71Å
182	S	60.9	Low	78.1	Confident	38 Å²	38	50.1 Å²	50.1	27%	0.266	27%	0.269	S	S	.	.			trans	-74	130.5	170.1	70.6	0	0	0	0	111.7	E148	E148-S182 WeakPolarHBondContact OE1-CB 3.47Å; E148-S182 PolarHBondContact OE1-OG 2.95Å; E148-S182 VanDerWaalsContact OE2-CB 3.22Å; E148-S182 WeakPolarHBondContact OE2-CB 3.15Å; E148-S182 PolarHBondContact OE2-OG 2.89Å; E148-S182 VanDerWaalsContact OE2-OG 3.08Å
183	N	54.7	Low	78.1	Confident	101 Å²	101	52.4 Å²	52.4	54%	0.54	28%	0.282	S	S	.	.			trans	-103.3	13.5	169	-70.1	-51.7	0	0	0	111.6
184	C	45.8	Very low	78	Confident	96 Å²	96	55.1 Å²	55.1	65%	0.649	31%	0.305	S	S	*	.			trans	-104.2	116	-172.1	-62.6	0	0	0	0	110.5
185	E	45.6	Very low	77.9	Confident	192 Å²	192	58.4 Å²	58.4	90%	0.897	32%	0.316	S	S	*	.	S	Bend	trans	-74.2	144.6	165	-71.9	-171	141.8	0	0	110.7
186	P	49.7	Very low	77.8	Confident	116 Å²	116	58.3 Å²	58.3	75%	0.753	32%	0.316	S	S	*	.	S	Bend	cis	-82.1	124.9	-0.3	32.2	-33	0	0	0	112.8	V188	P186-V188 PolarHBondContact O-N 3.08Å
187	Y	57.1	Low	77.6	Confident	84 Å²	84	64.2 Å²	64.2	33%	0.329	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70.1	123.6	173	167	-108.7	0	0	0	110.8	E148 Q180 R189	E148-Y187 HydrophobicContact CG-CD2 4.28Å; E148-Y187 HydrophobicContact CG-CE2 3.83Å; E148-Y187 WeakPolarHBondContact OE1-CE2 3.23Å; Q180-Y187 HydrophobicContact CG-CE2 3.72Å; Y187-R189 HydrophobicContact CE1-CB 3.91Å
188	V	67.1	Low	77.4	Confident	96 Å²	96	70.4 Å²	70.4	58%	0.582	37%	0.365	S	S	*	.			trans	-120.5	98.7	179.6	-176.8	0	0	0	0	110.1	P186 V190	P186-V188 PolarHBondContact O-N 3.08Å; V188-V190 HydrophobicContact CG1-CG2 4.35Å; V188-V190 PolarHBondContact O-N 3.12Å
189	R	84.4	Confident	77.2	Confident	83 Å²	83	70.4 Å²	70.4	31%	0.313	37%	0.365	S	S	.	.			trans	-71.4	110.3	173.5	-174	170.4	173.3	147.9	4.7	110.5	L147 Y187 I191 E210	L147-R189 HydrophobicContact CB-CG 4.49Å; Y187-R189 HydrophobicContact CE1-CB 3.91Å; R189-I191 WeakPolarHBondContact CG-O 3.42Å; R189-I191 PolarHBondContact NE-O 2.93Å; R189-I191 PolarHBondContact NH2-O 3.38Å; R189-E210 IonicContact CZ-OE1 3.98Å; R189-E210 IonicContact CZ-OE2 3.2Å; R189-E210 IonicContact NH1-OE1 3.97Å; R189-E210 PolarHBondContact NH1-OE1 2.97Å; R189-E210 VanDerWaalsContact NH1-OE1 3.11Å; R189-E210 IonicContact NH1-OE2 2.94Å; R189-E210 PolarHBondContact NH1-OE2 2.8Å; R189-E210 IonicContact NH2-OE1 3.12Å; R189-E210 PolarHBondContact NH2-OE1 3.44Å; R189-E210 IonicContact NH2-OE2 2.7Å
190	V	85.9	Confident	77.2	Confident	56 Å²	56	70.5 Å²	70.5	34%	0.339	37%	0.366	S	S	.	.			trans	-89.6	-26.6	-178.3	-179.9	0	0	0	0	112.2	L147 E148 I150 V188 R195	L147-V190 PolarHBondContact O-N 3.3Å; E148-V190 WeakPolarHBondContact O-CB 3.39Å; E148-V190 WeakPolarHBondContact O-CG2 3.39Å; I150-V190 HydrophobicContact CB-CG1 4Å; V188-V190 HydrophobicContact CG1-CG2 4.35Å; V188-V190 PolarHBondContact O-N 3.12Å; V190-R195 PolarHBondContact O-NH1 3Å; V190-R195 PolarHBondContact O-NH2 3.25Å
191	I	89.2	Confident	77.4	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-109.4	111.2	178.8	-64.3	134.7	0	0	0	110.6	F145 S146 L147 N149 I150 Y153 R189 R195 A196	F145-I191 HydrophobicContact CD2-CD1 3.96Å; F145-I191 HydrophobicContact CE2-CB 4.38Å; F145-I191 HydrophobicContact CE2-CD1 4.08Å; F145-I191 HydrophobicContact CE2-CG2 3.86Å; F145-I191 HydrophobicContact CZ-CG2 4.48Å; S146-I191 WeakPolarHBondContact O-CD1 3.3Å; L147-I191 HydrophobicContact CD2-CB 4.44Å; L147-I191 HydrophobicContact CD2-CG2 4.45Å; L147-I191 PolarHBondContact O-N 3.39Å; L147-I191 VanDerWaalsContact O-N 3.09Å; N149-I191 WeakPolarHBondContact O-CD1 3.48Å; I150-I191 HydrophobicContact CD1-CD1 4.42Å; I150-I191 HydrophobicContact CD1-CG1 3.88Å; Y153-I191 HydrophobicContact CD2-CD1 4.39Å; Y153-I191 HydrophobicContact CD2-CG1 4.27Å; Y153-I191 HydrophobicContact CD2-CG2 3.93Å; Y153-I191 HydrophobicContact CE2-CG2 4.22Å; Y153-I191 HydrophobicContact CG-CD1 4.13Å; Y153-I191 HydrophobicContact CG-CG1 4.16Å; R189-I191 WeakPolarHBondContact CG-O 3.42Å; R189-I191 PolarHBondContact NE-O 2.93Å; R189-I191 PolarHBondContact NH2-O 3.38Å; I191-R195 HydrophobicContact CG2-CB 4.42Å; I191-A196 HydrophobicContact CG2-CB 4.24Å
192	D	88.8	Confident	78.2	Confident	65 Å²	65	74.9 Å²	74.9	35%	0.348	39%	0.392	S	S	.	.			trans	-70.9	157	174.5	63.9	87.5	0	0	0	112.8	A194 R195 A196	D192-A194 VanDerWaalsContact C-N 3.29Å; D192-A194 PolarHBondContact O-N 3.25Å; D192-A194 WeakPolarHBondContact OD1-CB 3.45Å; D192-A194 PolarHBondContact OD1-N 3.22Å; D192-R195 WeakPolarHBondContact O-CB 3.31Å; D192-R195 PolarHBondContact O-N 2.83Å; D192-R195 WeakPolarHBondContact OD1-CB 3.46Å; D192-R195 PolarHBondContact OD1-N 2.88Å; D192-R195 WeakPolarHBondContact OD2-CB 3.23Å; D192-R195 IonicContact OD2-CZ 3.93Å; D192-R195 IonicContact OD2-NE 3.29Å; D192-R195 PolarHBondContact OD2-NE 3.04Å; D192-R195 IonicContact OD2-NH2 2.95Å; D192-R195 PolarHBondContact OD2-NH2 2.88Å; D192-A196 PolarHBondContact O-N 3.21Å; D192-A196 VanDerWaalsContact O-N 3.08Å
193	D	89.5	Confident	79.5	Confident	59 Å²	59	73.1 Å²	73.1	32%	0.316	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-33.8	-178.9	173.6	79.2	0	0	0	112.9	A196 R197	D193-A196 PolarHBondContact O-N 2.57Å; D193-R197 WeakPolarHBondContact O-CB 3.31Å; D193-R197 VanDerWaalsContact O-CG 3.3Å; D193-R197 WeakPolarHBondContact O-CG 3.37Å; D193-R197 PolarHBondContact O-N 2.97Å; D193-R197 IonicContact OD1-CZ 3.8Å; D193-R197 IonicContact OD1-NE 3.6Å; D193-R197 PolarHBondContact OD1-NE 3.31Å; D193-R197 IonicContact OD1-NH2 2.96Å; D193-R197 PolarHBondContact OD1-NH2 2.92Å; D193-R197 WeakPolarHBondContact OD2-CD 3.29Å; D193-R197 IonicContact OD2-CZ 2.74Å; D193-R197 IonicContact OD2-NE 3.87Å; D193-R197 PolarHBondContact OD2-NE 2.79Å; D193-R197 IonicContact OD2-NH2 3.79Å
194	A	90.2	Very high	80.7	Confident	70 Å²	70	73.2 Å²	73.2	58%	0.579	38%	0.375	S	S	*	.	H	α-helix	trans	-68.8	-39.4	179	0	0	0	0	0	111.6	D192 K198	D192-A194 VanDerWaalsContact C-N 3.29Å; D192-A194 PolarHBondContact O-N 3.25Å; D192-A194 WeakPolarHBondContact OD1-CB 3.45Å; D192-A194 PolarHBondContact OD1-N 3.22Å; A194-K198 WeakPolarHBondContact O-CB 3.49Å; A194-K198 PolarHBondContact O-N 3.21Å
195	R	92.1	Very high	82.3	Confident	87 Å²	87	78.4 Å²	78.4	33%	0.328	38%	0.381	S	S	.	.	H	α-helix	trans	-64.3	-45.3	173.5	-167.3	-172.9	-43.5	171.6	10.8	111.6	Y153 V190 I191 D192 K198 L199	Y153-R195 HydrophobicContact CE1-CG 4.36Å; Y153-R195 HydrophobicContact CE2-CG 4.1Å; Y153-R195 WeakPolarHBondContact OH-CG 3.24Å; Y153-R195 PolarHBondContact OH-O 3.06Å; V190-R195 PolarHBondContact O-NH1 3Å; V190-R195 PolarHBondContact O-NH2 3.25Å; I191-R195 HydrophobicContact CG2-CB 4.42Å; D192-R195 WeakPolarHBondContact O-CB 3.31Å; D192-R195 PolarHBondContact O-N 2.83Å; D192-R195 WeakPolarHBondContact OD1-CB 3.46Å; D192-R195 PolarHBondContact OD1-N 2.88Å; D192-R195 WeakPolarHBondContact OD2-CB 3.23Å; D192-R195 IonicContact OD2-CZ 3.93Å; D192-R195 IonicContact OD2-NE 3.29Å; D192-R195 PolarHBondContact OD2-NE 3.04Å; D192-R195 IonicContact OD2-NH2 2.95Å; D192-R195 PolarHBondContact OD2-NH2 2.88Å; R195-K198 WeakPolarHBondContact O-CB 3.44Å; R195-K198 PolarHBondContact O-N 2.9Å; R195-L199 PolarHBondContact O-N 3.14Å
196	A	92.1	Very high	84.3	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-43.2	176	0	0	0	0	0	112.7	F145 I191 D192 D193 K198 L199 A200 Y208	F145-A196 HydrophobicContact CZ-CB 3.89Å; I191-A196 HydrophobicContact CG2-CB 4.24Å; D192-A196 PolarHBondContact O-N 3.21Å; D192-A196 VanDerWaalsContact O-N 3.08Å; D193-A196 PolarHBondContact O-N 2.57Å; A196-K198 VanDerWaalsContact C-N 3.3Å; A196-K198 PolarHBondContact O-N 3.32Å; A196-L199 PolarHBondContact O-N 2.93Å; A196-A200 PolarHBondContact O-N 2.83Å; A196-Y208 HydrophobicContact CB-CD2 4.49Å; A196-Y208 HydrophobicContact CB-CE1 3.81Å; A196-Y208 HydrophobicContact CB-CE2 3.76Å; A196-Y208 VanDerWaalsContact CB-OH 3.32Å; A196-Y208 WeakPolarHBondContact CB-OH 3.46Å
197	R	92.3	Very high	86.4	Confident	124 Å²	124	65.8 Å²	65.8	47%	0.468	32%	0.318	S	S	.	.	H	α-helix	trans	-66.5	-29.5	172.7	-71	-178.2	-160.1	-72.2	-18.2	112.8	D193 A200 N201 Y208	D193-R197 WeakPolarHBondContact O-CB 3.31Å; D193-R197 VanDerWaalsContact O-CG 3.3Å; D193-R197 WeakPolarHBondContact O-CG 3.37Å; D193-R197 PolarHBondContact O-N 2.97Å; D193-R197 IonicContact OD1-CZ 3.8Å; D193-R197 IonicContact OD1-NE 3.6Å; D193-R197 PolarHBondContact OD1-NE 3.31Å; D193-R197 IonicContact OD1-NH2 2.96Å; D193-R197 PolarHBondContact OD1-NH2 2.92Å; D193-R197 WeakPolarHBondContact OD2-CD 3.29Å; D193-R197 IonicContact OD2-CZ 2.74Å; D193-R197 IonicContact OD2-NE 3.87Å; D193-R197 PolarHBondContact OD2-NE 2.79Å; D193-R197 IonicContact OD2-NH2 3.79Å; R197-A200 PolarHBondContact O-N 3.44Å; R197-N201 PolarHBondContact O-N 3.43Å; R197-N201 PolarHBondContact O-ND2 3.14Å; R197-Y208 HydrophobicContact CG-CD1 3.97Å; R197-Y208 HydrophobicContact CG-CE1 4.47Å
198	K	92.1	Very high	88.1	Confident	129 Å²	129	63.1 Å²	63.1	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-64.1	-52.6	171.7	-171.5	-169.2	169.5	-169.4	0	110.2	A194 R195 A196 A200 N201 D202	A194-K198 WeakPolarHBondContact O-CB 3.49Å; A194-K198 PolarHBondContact O-N 3.21Å; R195-K198 WeakPolarHBondContact O-CB 3.44Å; R195-K198 PolarHBondContact O-N 2.9Å; A196-K198 VanDerWaalsContact C-N 3.3Å; A196-K198 PolarHBondContact O-N 3.32Å; K198-A200 PolarHBondContact O-N 3.02Å; K198-N201 WeakPolarHBondContact O-CB 3.4Å; K198-N201 PolarHBondContact O-N 3.25Å; K198-D202 VanDerWaalsContact CE-OD2 3.27Å; K198-D202 WeakPolarHBondContact CE-OD2 3.28Å; K198-D202 WeakPolarHBondContact CG-OD2 3.43Å; K198-D202 PolarHBondContact O-N 3.41Å
199	L	91.9	Very high	89.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-51.7	-44.8	174.1	177.9	61	0	0	0	111.3	F145 Y153 V156 Y157 L176 R195 A196 N201 D202 L203	F145-L199 HydrophobicContact CE1-CD2 4.49Å; Y153-L199 HydrophobicContact CD2-CD2 3.69Å; Y153-L199 HydrophobicContact CE2-CB 3.81Å; Y153-L199 HydrophobicContact CE2-CD2 3.46Å; Y153-L199 VanDerWaalsContact CE2-CD2 3.46Å; Y153-L199 HydrophobicContact CE2-CG 4.22Å; V156-L199 HydrophobicContact CB-CD2 4.36Å; V156-L199 HydrophobicContact CG1-CD1 4.36Å; V156-L199 HydrophobicContact CG1-CD2 4.06Å; Y157-L199 HydrophobicContact CD1-CD1 4.3Å; Y157-L199 HydrophobicContact CD2-CD1 3.76Å; Y157-L199 HydrophobicContact CE1-CD1 3.96Å; Y157-L199 HydrophobicContact CE2-CD1 3.39Å; Y157-L199 HydrophobicContact CG-CD1 4.2Å; Y157-L199 VanDerWaalsContact CZ-CD1 3.48Å; L176-L199 HydrophobicContact CD1-CD2 3.93Å; L176-L199 HydrophobicContact CD1-CG 4.35Å; L176-L199 HydrophobicContact CD2-CB 4.04Å; L176-L199 HydrophobicContact CD2-CD2 3.84Å; L176-L199 HydrophobicContact CD2-CG 3.72Å; R195-L199 PolarHBondContact O-N 3.14Å; A196-L199 PolarHBondContact O-N 2.93Å; L199-N201 PolarHBondContact O-N 3.31Å; L199-D202 PolarHBondContact O-N 2.92Å; L199-L203 HydrophobicContact CD1-CD1 3.73Å; L199-L203 HydrophobicContact CD1-CD2 4.47Å; L199-L203 HydrophobicContact CD1-CG 3.88Å; L199-L203 HydrophobicContact CG-CD1 3.8Å; L199-L203 HydrophobicContact CG-CG 4.31Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 VanDerWaalsContact O-CG 3.22Å; L199-L203 WeakPolarHBondContact O-CG 3.5Å; L199-L203 PolarHBondContact O-N 3.47Å
200	A	92.5	Very high	89.9	Confident	5 Å²	5	59.3 Å²	59.3	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-37.8	177	0	0	0	0	0	114.1	L176 A196 R197 K198 L203 R205 C206	L176-A200 HydrophobicContact CD2-CB 3.87Å; A196-A200 PolarHBondContact O-N 2.83Å; R197-A200 PolarHBondContact O-N 3.44Å; K198-A200 PolarHBondContact O-N 3.02Å; A200-L203 CarbonylContact O-C 3.59Å; A200-R205 CarbonylContact O-C 3.53Å; A200-R205 WeakPolarHBondContact O-CA 3.44Å; A200-R205 PolarHBondContact O-N 2.97Å; A200-C206 VanDerWaalsContact CA-SG 3.6Å; A200-C206 PolarHBondContact O-N 2.98Å; A200-C206 PolarHBondContact O-SG 2.97Å
201	N	90.9	Very high	90.2	Very high	92 Å²	92	56.8 Å²	56.8	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-69.1	-42.7	175.8	-82	-75.8	0	0	0	112.1	R197 K198 L199 L203 K204 R205	R197-N201 PolarHBondContact O-N 3.43Å; R197-N201 PolarHBondContact O-ND2 3.14Å; K198-N201 WeakPolarHBondContact O-CB 3.4Å; K198-N201 PolarHBondContact O-N 3.25Å; L199-N201 PolarHBondContact O-N 3.31Å; N201-L203 VanDerWaalsContact C-N 3.34Å; N201-K204 PolarHBondContact O-N 3.14Å; N201-R205 PolarHBondContact O-N 3.33Å
202	D	89.4	Confident	90.3	Very high	80 Å²	80	57 Å²	57	43%	0.428	27%	0.271	S	S	.	.	H	α-helix	trans	-67.5	-36.2	179.2	-63.8	-24.8	0	0	0	110.7	Y157 K198 L199 K204	Y157-D202 HydrophobicContact CE1-CB 4.37Å; Y157-D202 VanDerWaalsContact OH-CB 3.27Å; Y157-D202 WeakPolarHBondContact OH-CB 3.3Å; Y157-D202 PolarHBondContact OH-OD2 3.46Å; K198-D202 VanDerWaalsContact CE-OD2 3.27Å; K198-D202 WeakPolarHBondContact CE-OD2 3.28Å; K198-D202 WeakPolarHBondContact CG-OD2 3.43Å; K198-D202 PolarHBondContact O-N 3.41Å; L199-D202 PolarHBondContact O-N 2.92Å; D202-K204 PolarHBondContact O-N 2.87Å
203	L	87.5	Confident	90.2	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	51.1	168.6	-62.4	177.1	0	0	0	112.9	V156 Y160 L176 L199 A200 N201 R205 C206	V156-L203 HydrophobicContact CG1-CD1 3.78Å; Y160-L203 HydrophobicContact CD1-CD2 3.5Å; Y160-L203 VanDerWaalsContact CD1-CD2 3.5Å; Y160-L203 HydrophobicContact CD2-CD2 3.69Å; Y160-L203 HydrophobicContact CE1-CD2 4.05Å; Y160-L203 HydrophobicContact CE2-CD2 4.22Å; Y160-L203 HydrophobicContact CG-CD2 3.29Å; L176-L203 HydrophobicContact CD1-CD1 4.01Å; L176-L203 HydrophobicContact CD2-CD1 4.43Å; L199-L203 HydrophobicContact CD1-CD1 3.73Å; L199-L203 HydrophobicContact CD1-CD2 4.47Å; L199-L203 HydrophobicContact CD1-CG 3.88Å; L199-L203 HydrophobicContact CG-CD1 3.8Å; L199-L203 HydrophobicContact CG-CG 4.31Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 VanDerWaalsContact O-CG 3.22Å; L199-L203 WeakPolarHBondContact O-CG 3.5Å; L199-L203 PolarHBondContact O-N 3.47Å; A200-L203 CarbonylContact O-C 3.59Å; N201-L203 VanDerWaalsContact C-N 3.34Å; L203-R205 VanDerWaalsContact C-N 3.31Å; L203-R205 PolarHBondContact O-N 3.27Å; L203-C206 WeakPolarHBondContact O-CB 3.44Å; L203-C206 PolarHBondContact O-N 2.9Å
204	K	80.9	Confident	89.9	Confident	103 Å²	103	51.9 Å²	51.9	45%	0.448	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	24.7	177.9	-53.9	-164.2	177.1	-169.2	0	116.5	Y160 T169 N201 D202 C206	Y160-K204 WeakPolarHBondContact OH-CE 3.26Å; T169-K204 PolarHBondContact O-NZ 3.45Å; T169-K204 WeakPolarHBondContact OG1-CE 3.31Å; T169-K204 PolarHBondContact OG1-NZ 3.43Å; N201-K204 PolarHBondContact O-N 3.14Å; D202-K204 PolarHBondContact O-N 2.87Å; K204-C206 VanDerWaalsContact C-N 3.31Å
205	R	79.6	Confident	89.5	Confident	204 Å²	204	57.1 Å²	57.1	77%	0.77	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	43	-173.5	-47	178.3	-178.4	178.6	-0.7	111.6	A200 N201 L203	A200-R205 CarbonylContact O-C 3.53Å; A200-R205 WeakPolarHBondContact O-CA 3.44Å; A200-R205 PolarHBondContact O-N 2.97Å; N201-R205 PolarHBondContact O-N 3.33Å; L203-R205 VanDerWaalsContact C-N 3.31Å; L203-R205 PolarHBondContact O-N 3.27Å
206	C	88.1	Confident	89.2	Confident	19 Å²	19	54.3 Å²	54.3	13%	0.128	25%	0.25	C	S	.	.			trans	-60.5	159.7	171.8	65.7	0	0	0	0	111	I174 A200 L203 K204	I174-C206 HydrophobicContact CB-CB 4.27Å; I174-C206 HydrophobicContact CG2-CB 3.98Å; I174-C206 VanDerWaalsContact O-CB 3.27Å; I174-C206 WeakPolarHBondContact O-CB 3.37Å; A200-C206 VanDerWaalsContact CA-SG 3.6Å; A200-C206 PolarHBondContact O-N 2.98Å; A200-C206 PolarHBondContact O-SG 2.97Å; L203-C206 WeakPolarHBondContact O-CB 3.44Å; L203-C206 PolarHBondContact O-N 2.9Å; K204-C206 VanDerWaalsContact C-N 3.31Å
207	A	92.2	Very high	89	Confident	24 Å²	24	58.6 Å²	58.6	20%	0.198	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.5	171.9	0	0	0	0	0	109.7	L176 Y209	L176-A207 PolarHBondContact N-O 3.32Å; A207-Y209 HydrophobicContact CB-CD2 4.37Å; A207-Y209 HydrophobicContact CB-CE2 3.61Å
208	Y	94.6	Very high	88.9	Confident	28 Å²	28	54.7 Å²	54.7	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.4	174.1	174	-121.6	0	0	0	110.2	F145 L176 A196 R197 E210	F145-Y208 HydrophobicContact CE1-CE2 4.07Å; F145-Y208 AromaticContact CZ-CE2 3.95Å; F145-Y208 HydrophobicContact CZ-CE2 3.95Å; L176-Y208 HydrophobicContact CB-CD2 4.43Å; L176-Y208 HydrophobicContact CD2-CD2 4Å; L176-Y208 HydrophobicContact CG-CD2 4.1Å; L176-Y208 WeakPolarHBondContact O-CA 3.35Å; A196-Y208 HydrophobicContact CB-CD2 4.49Å; A196-Y208 HydrophobicContact CB-CE1 3.81Å; A196-Y208 HydrophobicContact CB-CE2 3.76Å; A196-Y208 VanDerWaalsContact CB-OH 3.32Å; A196-Y208 WeakPolarHBondContact CB-OH 3.46Å; R197-Y208 HydrophobicContact CG-CD1 3.97Å; R197-Y208 HydrophobicContact CG-CE1 4.47Å; Y208-E210 HydrophobicContact CE1-CG 3.89Å; Y208-E210 HydrophobicContact CE2-CG 4.45Å; Y208-E210 WeakPolarHBondContact OH-CG 3.45Å; Y208-E210 PolarHBondContact OH-OE1 3.44Å
209	Y	95.4	Very high	88.9	Confident	48 Å²	48	48.7 Å²	48.7	19%	0.188	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.6	174.6	-63.3	-81.7	0	0	0	110.9	I175 L176 V177 G178 A207 R221 V222 D225	I175-Y209 HydrophobicContact CG2-CD2 3.68Å; I175-Y209 HydrophobicContact CG2-CE2 3.96Å; L176-Y209 PolarHBondContact O-N 2.85Å; V177-Y209 WeakPolarHBondContact CA-O 3.48Å; G178-Y209 PolarHBondContact N-O 2.88Å; A207-Y209 HydrophobicContact CB-CD2 4.37Å; A207-Y209 HydrophobicContact CB-CE2 3.61Å; Y209-R221 HydrophobicContact CE1-CG 4.18Å; Y209-V222 HydrophobicContact CD1-CG2 4.48Å; Y209-V222 HydrophobicContact CD2-CG2 3.81Å; Y209-V222 HydrophobicContact CG-CG2 3.73Å; Y209-D225 PolarHBondContact OH-OD2 3.01Å
210	E	93.4	Very high	88.9	Confident	52 Å²	52	54.8 Å²	54.8	24%	0.243	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.2	162.3	-67.2	-173.5	178.3	0	0	108.6	L147 G178 R189 Y208 N218	L147-E210 HydrophobicContact CD1-CG 4.28Å; G178-E210 WeakPolarHBondContact O-CA 3.3Å; R189-E210 IonicContact CZ-OE1 3.98Å; R189-E210 IonicContact CZ-OE2 3.2Å; R189-E210 IonicContact NH1-OE1 3.97Å; R189-E210 PolarHBondContact NH1-OE1 2.97Å; R189-E210 VanDerWaalsContact NH1-OE1 3.11Å; R189-E210 IonicContact NH1-OE2 2.94Å; R189-E210 PolarHBondContact NH1-OE2 2.8Å; R189-E210 IonicContact NH2-OE1 3.12Å; R189-E210 PolarHBondContact NH2-OE1 3.44Å; R189-E210 IonicContact NH2-OE2 2.7Å; Y208-E210 HydrophobicContact CE1-CG 3.89Å; Y208-E210 HydrophobicContact CE2-CG 4.45Å; Y208-E210 WeakPolarHBondContact OH-CG 3.45Å; Y208-E210 PolarHBondContact OH-OE1 3.44Å; E210-N218 WeakPolarHBondContact O-CB 3.18Å; E210-N218 PolarHBondContact O-ND2 3.15Å
211	T	92.6	Very high	88.9	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	156.5	-176.5	58.3	0	0	0	0	110.8	L88 V177 G178 T179 Q180 L217 N218 V222	L88-T211 HydrophobicContact CD1-CG2 4.37Å; V177-T211 HydrophobicContact CG1-CG2 3.71Å; V177-T211 WeakPolarHBondContact CG1-OG1 3.34Å; G178-T211 PolarHBondContact O-N 3.33Å; G178-T211 PolarHBondContact O-OG1 3.13Å; T179-T211 CarbonylContact C-O 3.54Å; T179-T211 WeakPolarHBondContact CA-O 3.33Å; Q180-T211 PolarHBondContact N-O 3.15Å; T211-L217 VanDerWaalsContact CA-O 3.27Å; T211-L217 WeakPolarHBondContact CA-O 3.48Å; T211-L217 WeakPolarHBondContact CB-O 3.37Å; T211-N218 HydrophobicContact CG2-CB 3.95Å; T211-V222 HydrophobicContact CG2-CG2 3.76Å
212	C	90.2	Very high	89.1	Confident	4 Å²	4	57 Å²	57	3%	0.027	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-140.7	115.4	171.6	170	0	0	0	0	107.3	Q180 A214 Y215 G216 L217	Q180-C212 WeakPolarHBondContact O-CB 3.36Å; Q180-C212 PolarHBondContact O-SG 2.95Å; C212-A214 VanDerWaalsContact C-N 3.27Å; C212-A214 PolarHBondContact O-N 3.14Å; C212-A214 PolarHBondContact SG-N 2.85Å; C212-Y215 HydrophobicContact CB-CD2 4.31Å; C212-Y215 WeakPolarHBondContact SG-CD2 3.39Å; C212-Y215 PolarHBondContact SG-N 3.34Å; C212-G216 CarbonylContact O-C 3.52Å; C212-G216 VanDerWaalsContact O-CA 3.31Å; C212-G216 WeakPolarHBondContact O-CA 3.35Å; C212-G216 PolarHBondContact O-N 3.39Å; C212-L217 HydrophobicContact CB-CB 4.05Å; C212-L217 PolarHBondContact N-O 2.67Å; C212-L217 PolarHBondContact O-N 2.84Å
213	A	87.1	Confident	89.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.3	177.1	0	0	0	0	0	111.5	A87 R91 Y97 D181	A87-A213 HydrophobicContact CB-CB 4.23Å; R91-A213 HydrophobicContact CB-CB 4.12Å; R91-A213 VanDerWaalsContact CD-O 3.26Å; R91-A213 WeakPolarHBondContact CD-O 3.36Å; R91-A213 WeakPolarHBondContact CG-O 3.45Å; R91-A213 PolarHBondContact NH1-O 2.96Å; Y97-A213 WeakPolarHBondContact CB-O 3.49Å; Y97-A213 VanDerWaalsContact CD2-C 3.48Å; Y97-A213 HydrophobicContact CD2-CB 3.66Å; Y97-A213 HydrophobicContact CE2-CB 3.8Å; D181-A213 WeakPolarHBondContact OD1-CB 3.48Å; D181-A213 PolarHBondContact OD1-N 2.71Å
214	A	83.4	Confident	89.6	Confident	18 Å²	18	57 Å²	57	15%	0.149	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-44.1	175.6	0	0	0	0	0	113.4	R91 Y97 C212	R91-A214 VanDerWaalsContact NH1-C 3.33Å; R91-A214 PolarHBondContact NH1-O 3.33Å; Y97-A214 HydrophobicContact CD1-CB 3.7Å; Y97-A214 HydrophobicContact CD2-CB 4.45Å; Y97-A214 HydrophobicContact CE1-CB 3.78Å; Y97-A214 HydrophobicContact CG-CB 4.05Å; C212-A214 VanDerWaalsContact C-N 3.27Å; C212-A214 PolarHBondContact O-N 3.14Å; C212-A214 PolarHBondContact SG-N 2.85Å
215	Y	82.2	Confident	90.2	Very high	180 Å²	180	53.7 Å²	53.7	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-14.2	178.3	-59.6	-53.4	0	0	0	114.3	C212 L217	C212-Y215 HydrophobicContact CB-CD2 4.31Å; C212-Y215 WeakPolarHBondContact SG-CD2 3.39Å; C212-Y215 PolarHBondContact SG-N 3.34Å; Y215-L217 VanDerWaalsContact C-N 3.35Å
216	G	84.2	Confident	90.9	Very high	27 Å²	27	44.2 Å²	44.2	28%	0.278	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	17.4	-172.1	0	0	0	0	0	113.9	C212 N218	C212-G216 CarbonylContact O-C 3.52Å; C212-G216 VanDerWaalsContact O-CA 3.31Å; C212-G216 WeakPolarHBondContact O-CA 3.35Å; C212-G216 PolarHBondContact O-N 3.39Å; G216-N218 PolarHBondContact O-N 3.13Å
217	L	88.4	Confident	91.1	Very high	90 Å²	90	43.3 Å²	43.3	47%	0.471	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-63.9	125.2	-176.5	179.6	63.8	0	0	0	110.9	T211 C212 Y215 V219	T211-L217 VanDerWaalsContact CA-O 3.27Å; T211-L217 WeakPolarHBondContact CA-O 3.48Å; T211-L217 WeakPolarHBondContact CB-O 3.37Å; C212-L217 HydrophobicContact CB-CB 4.05Å; C212-L217 PolarHBondContact N-O 2.67Å; C212-L217 PolarHBondContact O-N 2.84Å; Y215-L217 VanDerWaalsContact C-N 3.35Å; L217-V219 PolarHBondContact O-N 2.94Å
218	N	91.4	Very high	91.1	Very high	42 Å²	42	44.8 Å²	44.8	23%	0.225	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-1.6	-179.2	-71.5	-48.5	0	0	0	117.1	E210 T211 G216 E220 R221 V222	E210-N218 WeakPolarHBondContact O-CB 3.18Å; E210-N218 PolarHBondContact O-ND2 3.15Å; T211-N218 HydrophobicContact CG2-CB 3.95Å; G216-N218 PolarHBondContact O-N 3.13Å; N218-E220 PolarHBondContact O-N 3.16Å; N218-R221 WeakPolarHBondContact O-CB 3.46Å; N218-R221 PolarHBondContact O-N 3.24Å; N218-R221 PolarHBondContact OD1-NH1 3.22Å; N218-V222 PolarHBondContact O-N 3.1Å
219	V	92.1	Very high	91	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-54.3	-55.6	-172.7	179.5	0	0	0	0	111.7	L88 R91 L217 R221 V222 F223	L88-V219 HydrophobicContact CD1-CB 4.32Å; L88-V219 HydrophobicContact CD1-CG1 3.96Å; L88-V219 HydrophobicContact CD1-CG2 3.8Å; R91-V219 HydrophobicContact CB-CG1 4.44Å; R91-V219 HydrophobicContact CG-CG1 4.3Å; R91-V219 HydrophobicContact CG-CG2 4.21Å; L217-V219 PolarHBondContact O-N 2.94Å; V219-R221 VanDerWaalsContact C-N 3.3Å; V219-R221 PolarHBondContact O-N 3Å; V219-V222 PolarHBondContact O-N 3.27Å; V219-F223 HydrophobicContact CG1-CE2 4.47Å; V219-F223 WeakPolarHBondContact O-CD2 3.31Å; V219-F223 PolarHBondContact O-N 3.33Å
220	E	92.2	Very high	90.8	Very high	127 Å²	127	44 Å²	44	59%	0.593	21%	0.21	S	C	*	.	H	α-helix	trans	-60.8	-38.4	178.6	-63.8	-168.9	160.3	0	0	113.1	N218 V222 F223 Q224	N218-E220 PolarHBondContact O-N 3.16Å; E220-V222 PolarHBondContact O-N 3.37Å; E220-F223 PolarHBondContact O-N 3.13Å; E220-Q224 WeakPolarHBondContact O-CB 3.34Å; E220-Q224 WeakPolarHBondContact O-CG 3.49Å; E220-Q224 PolarHBondContact O-N 2.88Å
221	R	92.3	Very high	90.6	Very high	144 Å²	144	43.2 Å²	43.2	54%	0.543	21%	0.208	S	C	.	.	H	α-helix	trans	-63.4	-40.1	-178.7	175.2	179.9	-76.1	149.7	-9.5	111.8	Y209 N218 V219 D225	Y209-R221 HydrophobicContact CE1-CG 4.18Å; N218-R221 WeakPolarHBondContact O-CB 3.46Å; N218-R221 PolarHBondContact O-N 3.24Å; N218-R221 PolarHBondContact OD1-NH1 3.22Å; V219-R221 VanDerWaalsContact C-N 3.3Å; V219-R221 PolarHBondContact O-N 3Å; R221-D225 VanDerWaalsContact O-CB 3.24Å; R221-D225 WeakPolarHBondContact O-CB 3.49Å; R221-D225 PolarHBondContact O-N 2.76Å
222	V	95.1	Very high	90.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-51.3	177.1	167.1	0	0	0	0	110.9	I142 I175 V177 Y209 T211 N218 V219 E220 D225 A226	I142-V222 HydrophobicContact CD1-CG1 3.87Å; I142-V222 HydrophobicContact CG1-CG1 4.39Å; I142-V222 HydrophobicContact CG2-CG1 4.33Å; I175-V222 HydrophobicContact CG2-CG1 4.44Å; V177-V222 HydrophobicContact CG2-CG1 3.71Å; V177-V222 HydrophobicContact CG2-CG2 4.1Å; Y209-V222 HydrophobicContact CD1-CG2 4.48Å; Y209-V222 HydrophobicContact CD2-CG2 3.81Å; Y209-V222 HydrophobicContact CG-CG2 3.73Å; T211-V222 HydrophobicContact CG2-CG2 3.76Å; N218-V222 PolarHBondContact O-N 3.1Å; V219-V222 PolarHBondContact O-N 3.27Å; E220-V222 PolarHBondContact O-N 3.37Å; V222-D225 PolarHBondContact O-N 3.47Å; V222-A226 WeakPolarHBondContact O-CB 3.48Å; V222-A226 PolarHBondContact O-N 3.37Å
223	F	94.8	Very high	90.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-37.3	-179.4	-76.9	-91.3	0	0	0	112.3	L75 L77 L88 V89 Y92 I123 I142 V219 E220 C227	L75-F223 HydrophobicContact CD2-CD1 3.49Å; L75-F223 VanDerWaalsContact CD2-CD1 3.49Å; L75-F223 HydrophobicContact CD2-CE1 3.88Å; L77-F223 HydrophobicContact CD1-CE1 4.28Å; L77-F223 HydrophobicContact CD2-CZ 4.17Å; L88-F223 HydrophobicContact CG-CE2 4.26Å; V89-F223 HydrophobicContact CG2-CZ 4.08Å; Y92-F223 HydrophobicContact CD1-CB 4.24Å; Y92-F223 AromaticContact CD1-CD1 3.63Å; Y92-F223 HydrophobicContact CD1-CD1 3.63Å; Y92-F223 AromaticContact CD1-CD2 3.93Å; Y92-F223 HydrophobicContact CD1-CD2 3.93Å; Y92-F223 AromaticContact CD1-CE1 3.9Å; Y92-F223 HydrophobicContact CD1-CE1 3.9Å; Y92-F223 HydrophobicContact CD1-CE2 4.17Å; Y92-F223 AromaticContact CD1-CG 3.67Å; Y92-F223 HydrophobicContact CD1-CG 3.67Å; Y92-F223 HydrophobicContact CD1-CZ 4.16Å; Y92-F223 HydrophobicContact CD2-CB 3.8Å; Y92-F223 AromaticContact CD2-CD2 3.62Å; Y92-F223 HydrophobicContact CD2-CD2 3.62Å; Y92-F223 HydrophobicContact CD2-CE2 4.33Å; Y92-F223 AromaticContact CD2-CG 3.74Å; Y92-F223 HydrophobicContact CD2-CG 3.74Å; Y92-F223 HydrophobicContact CE1-CB 3.91Å; Y92-F223 AromaticContact CE1-CD1 3.72Å; Y92-F223 HydrophobicContact CE1-CD1 3.72Å; Y92-F223 HydrophobicContact CE1-CD2 4.46Å; Y92-F223 HydrophobicContact CE1-CE1 4.37Å; Y92-F223 AromaticContact CE1-CG 3.78Å; Y92-F223 HydrophobicContact CE1-CG 3.78Å; Y92-F223 HydrophobicContact CE2-CB 3.43Å; Y92-F223 VanDerWaalsContact CE2-CB 3.43Å; Y92-F223 HydrophobicContact CE2-CD2 4.19Å; Y92-F223 AromaticContact CE2-CG 3.86Å; Y92-F223 HydrophobicContact CE2-CG 3.86Å; Y92-F223 HydrophobicContact CG-CB 4.18Å; Y92-F223 HydrophobicContact CG-CD1 4.06Å; Y92-F223 AromaticContact CG-CD2 3.46Å; Y92-F223 HydrophobicContact CG-CD2 3.46Å; Y92-F223 VanDerWaalsContact CG-CD2 3.46Å; Y92-F223 HydrophobicContact CG-CE1 4.33Å; Y92-F223 AromaticContact CG-CE2 3.76Å; Y92-F223 HydrophobicContact CG-CE2 3.76Å; Y92-F223 AromaticContact CG-CG 3.63Å; Y92-F223 HydrophobicContact CG-CG 3.63Å; Y92-F223 HydrophobicContact CG-CZ 4.19Å; Y92-F223 VanDerWaalsContact CZ-CB 3.48Å; Y92-F223 AromaticContact CZ-CG 3.87Å; I123-F223 HydrophobicContact CD1-CD1 4.3Å; I123-F223 HydrophobicContact CD1-CE1 3.97Å; I123-F223 HydrophobicContact CG2-CE1 4.45Å; I142-F223 HydrophobicContact CD1-CD1 4.31Å; I142-F223 HydrophobicContact CD1-CE1 4.24Å; V219-F223 HydrophobicContact CG1-CE2 4.47Å; V219-F223 WeakPolarHBondContact O-CD2 3.31Å; V219-F223 PolarHBondContact O-N 3.33Å; E220-F223 PolarHBondContact O-N 3.13Å; F223-C227 PolarHBondContact O-N 2.77Å; F223-C227 VanDerWaalsContact O-N 3.09Å; F223-C227 PolarHBondContact O-SG 3.12Å
224	Q	92.3	Very high	90.1	Very high	81 Å²	81	55.8 Å²	55.8	38%	0.379	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-48.8	174.7	-74.1	167.3	7.7	0	0	111.9	E220 A226 C227 L228	E220-Q224 WeakPolarHBondContact O-CB 3.34Å; E220-Q224 WeakPolarHBondContact O-CG 3.49Å; E220-Q224 PolarHBondContact O-N 2.88Å; Q224-A226 PolarHBondContact O-N 3.26Å; Q224-C227 PolarHBondContact O-N 2.95Å; Q224-L228 WeakPolarHBondContact O-CB 3.4Å; Q224-L228 VanDerWaalsContact O-CG 3.31Å; Q224-L228 WeakPolarHBondContact O-CG 3.49Å; Q224-L228 PolarHBondContact O-N 3.11Å
225	D	93.5	Very high	89.9	Confident	33 Å²	33	59.2 Å²	59.2	18%	0.176	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-38.7	178.4	178.3	57.9	0	0	0	112.1	I175 Y209 R221 V222 K229	I175-D225 HydrophobicContact CD1-CB 4.19Å; I175-D225 WeakPolarHBondContact CD1-OD2 3.45Å; Y209-D225 PolarHBondContact OH-OD2 3.01Å; R221-D225 VanDerWaalsContact O-CB 3.24Å; R221-D225 WeakPolarHBondContact O-CB 3.49Å; R221-D225 PolarHBondContact O-N 2.76Å; V222-D225 PolarHBondContact O-N 3.47Å; D225-K229 VanDerWaalsContact CG-NZ 3.27Å; D225-K229 WeakPolarHBondContact O-CB 3.4Å; D225-K229 VanDerWaalsContact O-CG 3.31Å; D225-K229 WeakPolarHBondContact O-CG 3.14Å; D225-K229 PolarHBondContact O-N 3.45Å; D225-K229 WeakPolarHBondContact OD1-CE 3.37Å; D225-K229 IonicContact OD1-NZ 2.68Å; D225-K229 PolarHBondContact OD1-NZ 2.89Å; D225-K229 VanDerWaalsContact OD1-NZ 3.16Å; D225-K229 WeakPolarHBondContact OD2-CE 3.24Å; D225-K229 IonicContact OD2-NZ 3.32Å; D225-K229 PolarHBondContact OD2-NZ 3.27Å
226	A	94.1	Very high	89.3	Confident	5 Å²	5	54 Å²	54	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-57.8	-51.1	172.6	0	0	0	0	0	111.6	L75 I142 I175 V222 Q224 K229 I230	L75-A226 HydrophobicContact CD1-CB 3.85Å; L75-A226 HydrophobicContact CD2-CB 4.3Å; I142-A226 HydrophobicContact CD1-CB 4.22Å; I142-A226 HydrophobicContact CG1-CB 4.32Å; I175-A226 HydrophobicContact CD1-CB 3.82Å; V222-A226 WeakPolarHBondContact O-CB 3.48Å; V222-A226 PolarHBondContact O-N 3.37Å; Q224-A226 PolarHBondContact O-N 3.26Å; A226-K229 PolarHBondContact O-N 3.4Å; A226-I230 WeakPolarHBondContact O-CG1 3.19Å; A226-I230 PolarHBondContact O-N 3.01Å; A226-I230 VanDerWaalsContact O-N 3.08Å
227	C	93	Very high	88.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-39.9	-177.9	-63	0	0	0	0	112.3	I73 L112 L114 F223 Q224 K229 I230 L231	I73-C227 HydrophobicContact CD1-CB 4.27Å; L112-C227 HydrophobicContact CD2-CB 3.5Å; L112-C227 VanDerWaalsContact CD2-CB 3.5Å; L112-C227 VanDerWaalsContact CD2-SG 3.55Å; L114-C227 HydrophobicContact CD1-CB 4.06Å; F223-C227 PolarHBondContact O-N 2.77Å; F223-C227 VanDerWaalsContact O-N 3.09Å; F223-C227 PolarHBondContact O-SG 3.12Å; Q224-C227 PolarHBondContact O-N 2.95Å; C227-K229 PolarHBondContact O-N 3.27Å; C227-I230 WeakPolarHBondContact O-CB 3.42Å; C227-I230 PolarHBondContact O-N 3.4Å; C227-L231 WeakPolarHBondContact O-CG 3.22Å; C227-L231 PolarHBondContact O-N 3Å
228	L	91.7	Very high	86.2	Confident	56 Å²	56	57.2 Å²	57.2	29%	0.293	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-41.5	175.2	-76.2	166.9	0	0	0	111.7	L114 Q224 L231 Q232	L114-L228 HydrophobicContact CD1-CD2 4.02Å; L114-L228 HydrophobicContact CD1-CG 4.11Å; L114-L228 HydrophobicContact CD2-CD2 4.19Å; L114-L228 HydrophobicContact CD2-CG 4.32Å; Q224-L228 WeakPolarHBondContact O-CB 3.4Å; Q224-L228 VanDerWaalsContact O-CG 3.31Å; Q224-L228 WeakPolarHBondContact O-CG 3.49Å; Q224-L228 PolarHBondContact O-N 3.11Å; L228-L231 PolarHBondContact O-N 3.29Å; L228-Q232 WeakPolarHBondContact O-CB 3.5Å; L228-Q232 VanDerWaalsContact O-CG 3.23Å; L228-Q232 WeakPolarHBondContact O-CG 3.44Å; L228-Q232 PolarHBondContact O-N 2.97Å
229	K	91.6	Very high	83.7	Confident	55 Å²	55	59.2 Å²	59.2	24%	0.239	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-35.7	175.7	-73.7	167.4	174.7	164.5	0	113	P173 D225 A226 C227 Q232 L233	P173-K229 HydrophobicContact CB-CB 3.79Å; P173-K229 HydrophobicContact CG-CB 4.07Å; D225-K229 VanDerWaalsContact CG-NZ 3.27Å; D225-K229 WeakPolarHBondContact O-CB 3.4Å; D225-K229 VanDerWaalsContact O-CG 3.31Å; D225-K229 WeakPolarHBondContact O-CG 3.14Å; D225-K229 PolarHBondContact O-N 3.45Å; D225-K229 WeakPolarHBondContact OD1-CE 3.37Å; D225-K229 IonicContact OD1-NZ 2.68Å; D225-K229 PolarHBondContact OD1-NZ 2.89Å; D225-K229 VanDerWaalsContact OD1-NZ 3.16Å; D225-K229 WeakPolarHBondContact OD2-CE 3.24Å; D225-K229 IonicContact OD2-NZ 3.32Å; D225-K229 PolarHBondContact OD2-NZ 3.27Å; A226-K229 PolarHBondContact O-N 3.4Å; C227-K229 PolarHBondContact O-N 3.27Å; K229-Q232 PolarHBondContact O-N 3.48Å; K229-L233 PolarHBondContact O-N 3.17Å
230	I	91.3	Very high	81.2	Confident	3 Å²	3	63 Å²	63	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-48	171.7	-69.8	164.8	0	0	0	110.4	I73 L75 D139 P173 A226 C227 Q232 L233 R234	I73-I230 HydrophobicContact CG2-CB 4.45Å; I73-I230 HydrophobicContact CG2-CD1 3.69Å; I73-I230 HydrophobicContact CG2-CG2 4.1Å; L75-I230 HydrophobicContact CD1-CD1 4.33Å; D139-I230 HydrophobicContact CB-CB 4.46Å; D139-I230 HydrophobicContact CB-CD1 3.96Å; D139-I230 HydrophobicContact CB-CG1 4.06Å; D139-I230 HydrophobicContact CB-CG2 3.57Å; P173-I230 HydrophobicContact CG-CG1 3.86Å; A226-I230 WeakPolarHBondContact O-CG1 3.19Å; A226-I230 PolarHBondContact O-N 3.01Å; A226-I230 VanDerWaalsContact O-N 3.08Å; C227-I230 WeakPolarHBondContact O-CB 3.42Å; C227-I230 PolarHBondContact O-N 3.4Å; I230-Q232 PolarHBondContact O-N 3.12Å; I230-L233 PolarHBondContact O-N 2.68Å; I230-R234 WeakPolarHBondContact O-CG 3.29Å; I230-R234 PolarHBondContact O-N 3.09Å
231	L	89.1	Confident	78.8	Confident	37 Å²	37	61.6 Å²	61.6	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-37.7	178.2	-67.8	176.2	0	0	0	112.3	I73 L114 C227 L228 R234 A235	I73-L231 HydrophobicContact CD1-CD1 4.17Å; I73-L231 HydrophobicContact CD1-CD2 4Å; I73-L231 HydrophobicContact CD1-CG 4.02Å; I73-L231 HydrophobicContact CG1-CD2 4.39Å; L114-L231 HydrophobicContact CB-CD1 4.47Å; L114-L231 HydrophobicContact CD1-CD1 3.78Å; C227-L231 WeakPolarHBondContact O-CG 3.22Å; C227-L231 PolarHBondContact O-N 3Å; L228-L231 PolarHBondContact O-N 3.29Å; L231-R234 PolarHBondContact O-N 2.87Å; L231-A235 WeakPolarHBondContact O-CB 3.43Å; L231-A235 PolarHBondContact O-N 2.9Å
232	Q	88.5	Confident	76	Confident	125 Å²	125	60.4 Å²	60.4	58%	0.584	36%	0.36	S	S	*	.	H	α-helix	trans	-63.6	-44.7	175	-73.7	166.4	14.4	0	0	112.7	L228 K229 I230 A235 S236	L228-Q232 WeakPolarHBondContact O-CB 3.5Å; L228-Q232 VanDerWaalsContact O-CG 3.23Å; L228-Q232 WeakPolarHBondContact O-CG 3.44Å; L228-Q232 PolarHBondContact O-N 2.97Å; K229-Q232 PolarHBondContact O-N 3.48Å; I230-Q232 PolarHBondContact O-N 3.12Å; Q232-A235 PolarHBondContact O-N 3.4Å; Q232-S236 PolarHBondContact O-N 2.86Å
233	L	86.6	Confident	73.2	Confident	60 Å²	60	68.8 Å²	68.8	31%	0.314	39%	0.392	S	S	.	.	H	α-helix	trans	-64	-41.4	175.3	-73	-167.6	0	0	0	112.2	P173 K229 I230 S236	P173-L233 HydrophobicContact CG-CD1 3.67Å; P173-L233 HydrophobicContact CG-CG 4.23Å; K229-L233 PolarHBondContact O-N 3.17Å; I230-L233 PolarHBondContact O-N 2.68Å; L233-S236 PolarHBondContact O-N 3.16Å; L233-S236 PolarHBondContact O-OG 3.5Å
234	R	84.3	Confident	70.2	Confident	85 Å²	85	73.8 Å²	73.8	32%	0.321	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-43.6	173.5	-72.1	168	167.5	-159.3	-5.2	111.9	G72 D139 I230 L231 S236 G237	G72-R234 VanDerWaalsContact O-CZ 3.28Å; G72-R234 PolarHBondContact O-NH1 2.82Å; G72-R234 PolarHBondContact O-NH2 3.46Å; D139-R234 IonicContact OD1-CZ 3.51Å; D139-R234 IonicContact OD1-NE 3.31Å; D139-R234 PolarHBondContact OD1-NE 3.43Å; D139-R234 VanDerWaalsContact OD1-NE 3.17Å; D139-R234 IonicContact OD1-NH2 3.18Å; D139-R234 PolarHBondContact OD1-NH2 2.94Å; D139-R234 IonicContact OD2-CZ 2.81Å; D139-R234 IonicContact OD2-NH2 3.3Å; D139-R234 PolarHBondContact OD2-NH2 3.47Å; I230-R234 WeakPolarHBondContact O-CG 3.29Å; I230-R234 PolarHBondContact O-N 3.09Å; L231-R234 PolarHBondContact O-N 2.87Å; R234-S236 VanDerWaalsContact C-N 3.28Å; R234-S236 PolarHBondContact O-N 3.08Å; R234-G237 PolarHBondContact O-N 3.28Å
235	A	78.8	Confident	67.2	Low	90 Å²	90	77.6 Å²	77.6	74%	0.744	45%	0.446	S	S	*	.	H	α-helix	trans	-64.7	-30	176	0	0	0	0	0	113	L231 Q232 G237	L231-A235 WeakPolarHBondContact O-CB 3.43Å; L231-A235 PolarHBondContact O-N 2.9Å; Q232-A235 PolarHBondContact O-N 3.4Å; A235-G237 PolarHBondContact O-N 3.04Å
236	S	70.4	Confident	64.2	Low	70 Å²	70	82.1 Å²	82.1	49%	0.49	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	4.9	174.4	78.1	0	0	0	0	115.4	Q232 L233 R234 N238	Q232-S236 PolarHBondContact O-N 2.86Å; L233-S236 PolarHBondContact O-N 3.16Å; L233-S236 PolarHBondContact O-OG 3.5Å; R234-S236 VanDerWaalsContact C-N 3.28Å; R234-S236 PolarHBondContact O-N 3.08Å; S236-N238 PolarHBondContact O-N 3.04Å
237	G	58.5	Low	61.1	Low	61 Å²	61	87.2 Å²	87.2	63%	0.629	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-9.1	175.4	0	0	0	0	0	116.2	R234 A235 S239	R234-G237 PolarHBondContact O-N 3.28Å; A235-G237 PolarHBondContact O-N 3.04Å; G237-S239 VanDerWaalsContact C-N 3.28Å; G237-S239 PolarHBondContact O-N 3.47Å
238	N	49.8	Very low	58.2	Low	124 Å²	124	95.8 Å²	95.8	66%	0.663	55%	0.548	S	S	*	.			trans	-81.3	63.2	-179.8	-77.3	-32.5	0	0	0	112.6	S236 P240	S236-N238 PolarHBondContact O-N 3.04Å; N238-P240 WeakPolarHBondContact O-CD 3.46Å
239	S	38.4	Very low	55.3	Low	83 Å²	83	101.3 Å²	101.3	58%	0.58	58%	0.576	S	S	*	*			trans	-108	109.3	175.9	-171.7	0	0	0	0	111.8	G237	G237-S239 VanDerWaalsContact C-N 3.28Å; G237-S239 PolarHBondContact O-N 3.47Å
240	P	38.6	Very low	52.3	Low	85 Å²	85	103.5 Å²	103.5	55%	0.552	60%	0.598	S	S	*	*			trans	-110.7	59.2	-175	40.4	-32.6	0	0	0	113.2	N238	N238-P240 WeakPolarHBondContact O-CD 3.46Å
241	V	42.9	Very low	49.5	Very low	97 Å²	97	109 Å²	109	59%	0.588	64%	0.636	S	S	*	*			trans	-138.8	107	170	-170.5	0	0	0	0	111.1
242	P	33.4	Very low	46.7	Very low	118 Å²	118	114.4 Å²	114.4	77%	0.766	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-67.5	143.9	165.6	-16.6	31.5	0	0	0	110.9
243	R	35.3	Very low	43.9	Very low	176 Å²	176	112.4 Å²	112.4	66%	0.664	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-68.4	145.1	170.7	-56.6	-174.8	-161.9	-136.6	0.2	109.8	N68 I245	N68-R243 PolarHBondContact OD1-NH1 3.28Å; R243-I245 PolarHBondContact O-N 3.5Å
244	P	31.9	Very low	41.4	Very low	106 Å²	106	117.7 Å²	117.7	69%	0.688	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-56.6	136	163.6	-21.1	33	0	0	0	110.3
245	I	28.8	Very low	38.9	Very low	161 Å²	161	120.3 Å²	120.3	83%	0.826	71%	0.705	S	S	*	*			trans	-115.4	111.5	172.9	-60.6	176.2	0	0	0	107.5	R243	R243-I245 PolarHBondContact O-N 3.5Å
246	T	31.1	Very low	36.6	Very low	127 Å²	127	126.6 Å²	126.6	78%	0.779	71%	0.709	S	S	*	*			trans	-114.1	130.1	172.4	-48.5	0	0	0	0	107.2
247	P	29.6	Very low	34.8	Very low	112 Å²	112	127.3 Å²	127.3	73%	0.727	72%	0.719	S	S	*	*			trans	-80.6	129.8	-149	28.4	-36.1	0	0	0	114.9
248	Q	31.1	Very low	33.3	Very low	180 Å²	180	130.5 Å²	130.5	84%	0.841	73%	0.73	S	S	*	*			trans	-76.7	123.8	159	-76.2	-92.6	-66.4	0	0	109.3	S250	Q248-S250 PolarHBondContact O-N 3.26Å
249	I	30.9	Very low	32.4	Very low	172 Å²	172	128.7 Å²	128.7	88%	0.882	73%	0.732	S	S	*	*			trans	-79.6	99.9	172.1	-61	175	0	0	0	108.1
250	S	29.3	Very low	32.1	Very low	102 Å²	102	132.2 Å²	132.2	71%	0.713	75%	0.745	S	S	*	*			trans	-97.1	112.2	174.6	-53.6	0	0	0	0	110.4	Q248 N252	Q248-S250 PolarHBondContact O-N 3.26Å; S250-N252 PolarHBondContact O-N 3.04Å
251	S	31.7	Very low	31.7	Very low	117 Å²	117	132.9 Å²	132.9	82%	0.818	75%	0.752	S	S	*	*			trans	-69.6	128.6	169.9	44.1	0	0	0	0	111.3
252	N	30.6	Very low	31.3	Very low	152 Å²	152	133.8 Å²	133.8	81%	0.813	76%	0.76	S	S	*	*			trans	-37.9	154.4	156.3	-75.9	-30.5	0	0	0	112.9	S250	S250-N252 PolarHBondContact O-N 3.04Å
253	S	29.5	Very low	31.2	Very low	83 Å²	83	134.9 Å²	134.9	58%	0.58	76%	0.764	S	S	*	*			cis	177.6	-178.3	-11	56.8	0	0	0	0	106.8
254	Q	35.1	Very low	30.8	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.794	77%	0.768	S	S	*	*			trans	71.7	147.6	168.7	-59.6	170.4	27.7	0	0	115.9
255	Q	30.6	Very low	30.7	Very low	141 Å²	141	135.1 Å²	135.1	66%	0.659	78%	0.776	S	S	*	*			cis	-168.6	157.3	-30.5	-131	-179.2	45.2	0	0	108.9
256	R	31.9	Very low	30.8	Very low	222 Å²	222	133.4 Å²	133.4	84%	0.838	77%	0.772	S	S	*	*			trans	71	147.5	165.1	-57.2	158.8	-167	-155	0.4	116
257	A	32.7	Very low	30.9	Very low	85 Å²	85	132.7 Å²	132.7	70%	0.702	77%	0.77	S	S	*	*			cis	-156.8	145.6	-17.8	0	0	0	0	0	112.8
258	C	25.8	Very low	30.8	Very low	127 Å²	127	135 Å²	135	86%	0.858	77%	0.774	S	S	*	*			trans	31.6	138.4	144.2	-54.8	0	0	0	0	124.1
259	A	30.7	Very low	30.7	Very low	86 Å²	86	133 Å²	133	71%	0.711	77%	0.774	S	S	*	*			trans	72.2	116.9	151.6	0	0	0	0	0	117.9
260	N	32.6	Very low	30.5	Very low	158 Å²	158	127.7 Å²	127.7	85%	0.845	76%	0.761	S	S	*	*				-160.4	160.1	66.4	-90.3	-41.7	0	0	0	114.9
261	S	30.7	Very low	30.7	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	77%	0.767	S	S	*	*			trans	60	82.3	154.9	-170.6	0	0	0	0	120.3
262	P	33.6	Very low	30.5	Very low	116 Å²	116	129.3 Å²	129.3	75%	0.753	76%	0.758	S	S	*	*			trans	-79.7	151.4	147.8	35.5	-31.4	0	0	0	111.1
263	V	31.5	Very low	30.4	Very low	141 Å²	141	129.4 Å²	129.4	86%	0.855	75%	0.754	S	S	*	*			trans	-106.8	125.9	172.6	-164.6	0	0	0	0	109.5
264	E	27.4	Very low	30.5	Very low	162 Å²	162	129.8 Å²	129.8	76%	0.757	76%	0.757	S	S	*	*			trans	-91.9	-159	-175.7	-60.3	-175.9	97.6	0	0	113.2
265	C	29.4	Very low	30.3	Very low	125 Å²	125	129.5 Å²	129.5	85%	0.845	76%	0.756	S	S	*	*			trans	80.7	88.3	-174.9	-54.1	0	0	0	0	113.6
266	V	31.5	Very low	30.2	Very low	125 Å²	125	130.9 Å²	130.9	76%	0.758	76%	0.762	S	S	*	*			cis	69.2	126.1	39.5	-168.9	0	0	0	0	112.4
267	P	31.9	Very low	29.8	Very low	112 Å²	112	125.4 Å²	125.4	73%	0.727	76%	0.758	S	S	*	*			trans	-97.1	172.9	-168.3	39.5	-37.9	0	0	0	113.9
268	I	29.3	Very low	29.6	Very low	159 Å²	159	127.8 Å²	127.8	82%	0.815	76%	0.758	S	S	*	*			trans	-176.3	127.7	137.3	-99.4	155.4	0	0	0	114.7
269	V	27.3	Very low	29.8	Very low	140 Å²	140	130.6 Å²	130.6	85%	0.848	76%	0.756	S	S	*	*			trans	26.5	130.6	143.5	-168.9	0	0	0	0	122.3
270	G	28.5	Very low	29.6	Very low	59 Å²	59	130.2 Å²	130.2	61%	0.608	75%	0.748	S	S	*	*				146.9	150	124.6	0	0	0	0	0	120.3
271	I	31.9	Very low	29.6	Very low	161 Å²	161	129.8 Å²	129.8	83%	0.826	75%	0.746	S	S	*	*			trans	56.7	98.2	151.2	-49.3	173.9	0	0	0	115.6
272	S	27.8	Very low	29.5	Very low	92 Å²	92	130.5 Å²	130.5	64%	0.643	75%	0.745	S	S	*	*				79.7	124.6	54.6	89.1	0	0	0	0	116.8
273	Q	29.2	Very low	29.4	Very low	155 Å²	155	131.9 Å²	131.9	72%	0.724	75%	0.752	S	S	*	*			trans	81.4	128.4	160.8	-53.7	-168.2	11.7	0	0	121.2
274	S	30.2	Very low	29.2	Very low	91 Å²	91	132.1 Å²	132.1	64%	0.636	75%	0.748	S	S	*	*				114.1	141.5	128.2	87.2	0	0	0	0	118.4
275	Q	31.9	Very low	29.3	Very low	164 Å²	164	128.9 Å²	128.9	77%	0.766	75%	0.749	S	S	*	*			trans	56.2	118	151.8	-64.8	162.3	114.2	0	0	117.9
276	Q	27.7	Very low	29.4	Very low	170 Å²	170	134.5 Å²	134.5	79%	0.794	75%	0.753	S	S	*	*				66.5	105	65.4	-70.3	-169	-18.4	0	0	115.2
277	S	24.3	Very low	29.1	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	76%	0.761	S	S	*	*			trans	70.6	163	147.5	73.6	0	0	0	0	119.5
278	L	27.5	Very low	29	Very low	134 Å²	134	136.2 Å²	136.2	70%	0.702	76%	0.762	S	S	*	*			trans	68.8	137.7	-174.7	-42.7	179.5	0	0	0	112.2
279	F	31.6	Very low	29.2	Very low	187 Å²	187	134.7 Å²	134.7	82%	0.82	76%	0.762	S	S	*	*			cis	-123.9	147.6	11.7	-54.8	-97.7	0	0	0	108.8
280	S	26.1	Very low	29.2	Very low	78 Å²	78	135.1 Å²	135.1	55%	0.545	76%	0.759	S	S	.	*			cis	68.1	94.8	27.9	81.6	0	0	0	0	115.8
281	N	31.5	Very low	29.3	Very low	149 Å²	149	140 Å²	140	80%	0.797	77%	0.769	S	S	*	*			trans	179.2	116.6	135.8	-88.3	-17.3	0	0	0	109.8
282	V	30.3	Very low	29.2	Very low	113 Å²	113	140.1 Å²	140.1	69%	0.685	76%	0.763	S	S	*	*				106.7	104.5	83.6	162.7	0	0	0	0	110.9
283	V	31.2	Very low	29.3	Very low	146 Å²	146	143.4 Å²	143.4	89%	0.885	77%	0.773	S	S	*	*			trans	-142	139.3	133.3	-163.2	0	0	0	0	106.1
284	N	27.1	Very low	29.3	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	77%	0.772	S	S	*	*			trans	-122.6	159.9	-166.1	-106.3	-21.9	0	0	0	113.2
285	A	29.8	Very low	29.5	Very low	95 Å²	95	146.2 Å²	146.2	79%	0.785	79%	0.785	S	S	*	*			trans	66.7	142.3	166.3	0	0	0	0	0	116.2
286	R	30.1	Very low	29.3	Very low	243 Å²	243	146.8 Å²	146.8	92%	0.917	79%	0.786	S	S	*	*			cis	-138.9	147.5	35.1	-102.2	173.4	163.6	150.6	-5.8	113.9
287	E	25.4	Very low	29.2	Very low	200 Å²	200	148.7 Å²	148.7	94%	0.935	79%	0.785	S	S	*	*			trans	-85.6	157.7	155.9	-62.5	-172.3	137.5	0	0	111
288	G	30.8	Very low	29.4	Very low	73 Å²	73	150.4 Å²	150.4	75%	0.753	79%	0.786	S	S	*	*			trans	-178.7	111.9	177.2	0	0	0	0	0	110.6
289	P	33.9	Very low	29.6	Very low	126 Å²	126	153.1 Å²	153.1	82%	0.818	80%	0.795	S	S	*	*			trans	-111.4	171	-158.7	41.2	-37.2	0	0	0	116.2
290	L	25.5	Very low	29.7	Very low	150 Å²	150	152 Å²	152	79%	0.785	80%	0.798	S	S	*	*			trans	70.3	107.1	145.8	-168.4	79	0	0	0	119.2
291	M	32.1	Very low	30.2	Very low	162 Å²	162	156.5 Å²	156.5	80%	0.798	81%	0.81	S	S	*	*				-166.2	117.5	124.4	-109.3	171.4	71.1	0	0	116
292	K	29.1	Very low	30.4	Very low	163 Å²	163	161.3 Å²	161.3	71%	0.709	82%	0.817	S	S	*	*			trans	23.3	121.1	135	-53.9	172.2	-176.4	174.5	0	119.9
293	N	28.9	Very low	30.8	Very low	160 Å²	160	165.2 Å²	165.2	86%	0.856	83%	0.828	S	S	*	*				-167.7	158.6	98.2	-107.1	-6.9	0	0	0	114
294	P	30.6	Very low	30.9	Very low	108 Å²	108	169.1 Å²	169.1	70%	0.701	83%	0.827	S	S	*	*			trans	-135.7	115.1	-169.2	36.6	-15.3	0	0	0	117
295	Q	33.5	Very low	31.2	Very low	197 Å²	197	171.3 Å²	171.3	92%	0.921	83%	0.832	S	S	*	*			trans	-145.4	122.4	162.3	-61.8	177.5	-83.9	0	0	106.9
296	K	27.4	Very low	31.6	Very low	177 Å²	177	176.7 Å²	176.7	77%	0.77	84%	0.838	S	S	*	*			cis	85.9	106.9	12.7	-141.6	-167.3	-177.1	176	0	116.1
297	R	26.2	Very low	31.6	Very low	209 Å²	209	174.5 Å²	174.5	79%	0.789	84%	0.835	S	S	*	*			trans	77.6	116.4	168.6	-60.3	176	167.7	159.2	-8.6	118.2
298	N	28.3	Very low	31.9	Very low	144 Å²	144	172.5 Å²	172.5	77%	0.77	83%	0.83	S	S	*	*				164.8	75	115.7	-86.5	2.1	0	0	0	112.9
299	E	32.3	Very low	32	Very low	190 Å²	190	176.6 Å²	176.6	89%	0.888	84%	0.835	S	S	*	*			trans	-142.8	36.9	167.2	-73.4	-155.4	126.1	0	0	113.6
300	D	32.6	Very low	31.8	Very low	164 Å²	164	173.9 Å²	173.9	88%	0.877	83%	0.83	S	S	*	*	S	Bend	trans	-108	9.2	179.7	-79.3	-58.8	0	0	0	114.2
301	E	37.5	Very low	32	Very low	173 Å²	173	175.5 Å²	175.5	81%	0.808	84%	0.837	S	S	*	*	S	Bend	trans	-114.7	-1.8	-167.3	-65.4	-167.5	123.9	0	0	116.2
302	R	36.1	Very low	31.8	Very low	250 Å²	250	171.3 Å²	171.3	94%	0.943	84%	0.836	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-0.1	-177	-91.5	-176.9	169.3	175.8	-2.8	116.3
303	E	37.9	Very low	31.9	Very low	195 Å²	195	169.9 Å²	169.9	91%	0.911	85%	0.846	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	11.4	-171.1	-147.3	177.9	-160.6	0	0	115.1
304	R	34	Very low	32.5	Very low	228 Å²	228	165.3 Å²	165.3	86%	0.86	84%	0.837	S	S	*	*			trans	-104.5	-13.5	-175	-78.2	-173.3	170	-168.7	-2.1	116.9	K306	R304-K306 PolarHBondContact O-N 3.42Å
305	E	33.8	Very low	33.8	Very low	190 Å²	190	165.3 Å²	165.3	89%	0.888	82%	0.823	S	S	*	*			trans	-95.8	68.6	-177.5	-66.1	-164.2	132	0	0	113.7
306	K	37	Very low	35.3	Very low	209 Å²	209	159.1 Å²	159.1	91%	0.909	81%	0.805	S	S	*	*			trans	-158.3	41.4	161.1	-111.4	152	-167.4	173.3	0	113.9	R304	R304-K306 PolarHBondContact O-N 3.42Å
307	K	29.9	Very low	37.6	Very low	197 Å²	197	157.8 Å²	157.8	86%	0.857	81%	0.805	S	S	*	*			trans	-105.6	82.4	168.5	-91.4	-170.6	172.6	-177.7	0	111.5
308	L	33.2	Very low	40.3	Very low	157 Å²	157	148.8 Å²	148.8	82%	0.822	77%	0.774	S	S	*	*			trans	-164.8	154.7	147.4	-129.6	72.5	0	0	0	107.9
309	N	32.4	Very low	43.1	Very low	160 Å²	160	145.9 Å²	145.9	86%	0.856	76%	0.758	S	S	*	*			trans	60.1	100.2	-173.8	-50.8	-10.2	0	0	0	113
310	G	29.4	Very low	45.8	Very low	69 Å²	69	138.1 Å²	138.1	71%	0.711	72%	0.721	S	S	*	*			cis	117.4	120.6	11.1	0	0	0	0	0	109.9
311	I	29.4	Very low	48.7	Very low	183 Å²	183	135.2 Å²	135.2	94%	0.938	70%	0.702	S	S	*	*	S	Bend	trans	72.7	112.2	-176.6	-49.9	166.7	0	0	0	113.9
312	G	29.2	Very low	51.3	Low	75 Å²	75	127.7 Å²	127.7	77%	0.773	67%	0.671	S	S	*	*			trans	89.8	27.1	155.4	0	0	0	0	0	119.4	G314	G312-G314 VanDerWaalsContact C-N 3.29Å; G312-G314 PolarHBondContact O-N 3.4Å
313	S	30	Very low	54	Low	132 Å²	132	119.4 Å²	119.4	92%	0.923	64%	0.642	S	S	*	*			trans	-73.1	78.6	177.3	-166.6	0	0	0	0	112.9
314	G	41.8	Very low	56.6	Low	64 Å²	64	110.1 Å²	110.1	66%	0.66	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-71.8	150.6	161.6	0	0	0	0	0	110.9	G312	G312-G314 VanDerWaalsContact C-N 3.29Å; G312-G314 PolarHBondContact O-N 3.4Å
315	R	58.4	Low	59.2	Low	108 Å²	108	102.9 Å²	102.9	41%	0.408	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-74	155.8	171.3	-65.5	-178.4	-178.4	176.4	-1.6	110.3	I317 Y359 M360 N362	R315-I317 PolarHBondContact O-N 3.15Å; R315-Y359 PolarHBondContact NH1-O 3.38Å; R315-M360 PolarHBondContact NH1-O 3.11Å; R315-M360 PolarHBondContact NH2-O 2.81Å; R315-N362 PolarHBondContact NE-OD1 3.32Å; R315-N362 PolarHBondContact NH1-OD1 3.02Å; R315-N362 PolarHBondContact NH2-OD1 2.87Å
316	A	65.2	Low	61.9	Low	67 Å²	67	95 Å²	95	55%	0.554	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-52.1	126	168.3	0	0	0	0	0	109.3	P318	A316-P318 WeakPolarHBondContact O-CD 3.35Å
317	I	75.9	Confident	64.1	Low	150 Å²	150	88 Å²	88	77%	0.769	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-75.1	117.1	-177.7	-59.5	174.9	0	0	0	107.1	R315	R315-I317 PolarHBondContact O-N 3.15Å
318	P	83.1	Confident	66	Low	19 Å²	19	80.7 Å²	80.7	12%	0.123	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-71	136.4	-177	29.1	-34.4	0	0	0	111	A316 K320 Q321 T343 L344	A316-P318 WeakPolarHBondContact O-CD 3.35Å; P318-K320 PolarHBondContact O-N 3.34Å; P318-Q321 HydrophobicContact CB-CB 4.38Å; P318-Q321 HydrophobicContact CG-CB 3.87Å; P318-Q321 HydrophobicContact CG-CG 4.07Å; P318-T343 HydrophobicContact CB-CG2 4.33Å; P318-T343 HydrophobicContact CG-CG2 4.31Å; P318-L344 CarbonylContact C-O 3.54Å; P318-L344 WeakPolarHBondContact CA-O 3.35Å; P318-L344 WeakPolarHBondContact CB-O 3.35Å
319	L	85.6	Confident	67.1	Low	83 Å²	83	78.6 Å²	78.6	44%	0.435	47%	0.472	S	S	.	.	S	Bend	trans	-56.5	-38.3	174.3	-67.9	-176.7	0	0	0	111.9	L344 D346 A492	L319-L344 HydrophobicContact CB-CD2 4.31Å; L319-L344 HydrophobicContact CB-CG 4.38Å; L319-L344 PolarHBondContact N-O 3.37Å; L319-D346 HydrophobicContact CD1-CB 4.2Å; L319-D346 HydrophobicContact CD2-CB 4.25Å; L319-D346 HydrophobicContact CG-CB 4.2Å; L319-A492 HydrophobicContact CD1-CB 4.29Å
320	K	90.5	Very high	68.2	Low	27 Å²	27	78 Å²	78	12%	0.117	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	141	169.7	-166	170	-179.6	69.3	0	109.7	P318 T343 L344 E484 W485 H488	P318-K320 PolarHBondContact O-N 3.34Å; K320-T343 WeakPolarHBondContact O-CA 3.41Å; K320-L344 PolarHBondContact O-N 3.35Å; K320-E484 HydrophobicContact CD-CB 4.47Å; K320-E484 IonicContact NZ-OE1 2.97Å; K320-E484 PolarHBondContact NZ-OE1 3.44Å; K320-E484 IonicContact NZ-OE2 2.76Å; K320-E484 PolarHBondContact NZ-OE2 3.16Å; K320-W485 HydrophobicContact CB-CE3 4.35Å; K320-W485 HydrophobicContact CB-CH2 4.36Å; K320-W485 HydrophobicContact CB-CZ3 4.02Å; K320-W485 HydrophobicContact CD-CD2 3.73Å; K320-W485 HydrophobicContact CD-CE3 3.82Å; K320-W485 HydrophobicContact CD-CG 4.13Å; K320-W485 HydrophobicContact CD-CZ3 4.24Å; K320-W485 HydrophobicContact CG-CD2 4.26Å; K320-W485 HydrophobicContact CG-CE3 4.11Å; K320-W485 HydrophobicContact CG-CH2 4.05Å; K320-W485 HydrophobicContact CG-CZ2 4.2Å; K320-W485 HydrophobicContact CG-CZ3 4Å; K320-H488 HydrophobicContact CB-CB 4.21Å; K320-H488 HydrophobicContact CD-CB 4.2Å
321	Q	92.2	Very high	69.1	Low	103 Å²	103	81 Å²	81	48%	0.481	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.1	175.8	59	-179	-9.1	0	0	110.3	P318 Y341 V342 T343	P318-Q321 HydrophobicContact CB-CB 4.38Å; P318-Q321 HydrophobicContact CG-CB 3.87Å; P318-Q321 HydrophobicContact CG-CG 4.07Å; Q321-Y341 PolarHBondContact OE1-OH 2.99Å; Q321-V342 VanDerWaalsContact CA-O 3.3Å; Q321-V342 WeakPolarHBondContact CA-O 3.4Å; Q321-T343 HydrophobicContact CB-CG2 3.85Å
322	G	91.7	Very high	70	Confident	15 Å²	15	80.7 Å²	80.7	16%	0.155	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-159.7	-177.1	0	0	0	0	0	112.8	Y341 V342	G322-Y341 WeakPolarHBondContact O-CD2 3.19Å; G322-V342 PolarHBondContact N-O 3.5Å; G322-V342 PolarHBondContact O-N 3.21Å
323	F	92.7	Very high	71	Confident	76 Å²	76	78.8 Å²	78.8	33%	0.333	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.3	-178.4	-70.5	-83	0	0	0	112.2	K339 K340 Y341 I356	F323-K339 HydrophobicContact CB-CD 4.33Å; F323-K339 HydrophobicContact CB-CG 4.14Å; F323-K339 HydrophobicContact CD1-CD 4.27Å; F323-K339 HydrophobicContact CD1-CG 4.06Å; F323-K339 HydrophobicContact CG-CD 4.48Å; F323-K339 HydrophobicContact CG-CG 4.46Å; F323-K340 VanDerWaalsContact CA-O 3.29Å; F323-K340 WeakPolarHBondContact CA-O 3.22Å; F323-Y341 HydrophobicContact CD1-CD2 4.07Å; F323-Y341 HydrophobicContact CD2-CD2 4.39Å; F323-Y341 AromaticContact CE1-CD2 3.73Å; F323-Y341 HydrophobicContact CE1-CD2 3.73Å; F323-Y341 HydrophobicContact CE1-CG 4.38Å; F323-Y341 HydrophobicContact CE2-CD2 4.06Å; F323-Y341 HydrophobicContact CE2-CE2 4.4Å; F323-Y341 HydrophobicContact CG-CD2 4.4Å; F323-Y341 AromaticContact CZ-CD2 3.72Å; F323-Y341 HydrophobicContact CZ-CD2 3.72Å; F323-Y341 HydrophobicContact CZ-CE2 4.38Å; F323-I356 HydrophobicContact CZ-CB 4.26Å
324	L	92.5	Very high	72.1	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.7	174.5	-66.4	173.6	0	0	0	110.9	K340 V342 F463 F474 A476 W485	L324-K340 PolarHBondContact N-O 3.38Å; L324-K340 PolarHBondContact O-N 3.11Å; L324-V342 HydrophobicContact CB-CG2 4.01Å; L324-V342 HydrophobicContact CD1-CB 4.33Å; L324-V342 HydrophobicContact CD1-CG1 4.26Å; L324-V342 HydrophobicContact CD1-CG2 4.13Å; L324-V342 HydrophobicContact CG-CG2 4.28Å; L324-F463 HydrophobicContact CD1-CE1 4.04Å; L324-F463 HydrophobicContact CD1-CZ 3.64Å; L324-F463 HydrophobicContact CD2-CE1 4.07Å; L324-F463 HydrophobicContact CD2-CZ 4.49Å; L324-F474 HydrophobicContact CB-CB 4.47Å; L324-F474 HydrophobicContact CB-CD1 3.85Å; L324-F474 HydrophobicContact CD1-CB 4.22Å; L324-F474 HydrophobicContact CD1-CD1 4.04Å; L324-F474 HydrophobicContact CD1-CG 4.23Å; L324-A476 HydrophobicContact CD2-CB 3.86Å; L324-W485 HydrophobicContact CD1-CD2 4.03Å; L324-W485 HydrophobicContact CD1-CE3 4.41Å; L324-W485 HydrophobicContact CD1-CG 4.31Å; L324-W485 HydrophobicContact CD1-CZ2 4.4Å; L324-W485 HydrophobicContact CD2-CG 4.27Å; L324-W485 HydrophobicContact CG-CZ2 4.39Å
325	Y	90.3	Very high	72.9	Confident	76 Å²	76	83 Å²	83	30%	0.298	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.6	169.9	-61.8	-80.9	0	0	0	109	K339 F474 E475 T477	Y325-K339 HydrophobicContact CD1-CB 3.87Å; Y325-K339 HydrophobicContact CD1-CG 4.18Å; Y325-K339 HydrophobicContact CE1-CB 3.69Å; Y325-K339 HydrophobicContact CE1-CD 3.84Å; Y325-K339 HydrophobicContact CE1-CG 3.78Å; Y325-F474 CarbonylContact O-C 3.59Å; Y325-F474 VanDerWaalsContact O-CA 3.31Å; Y325-F474 WeakPolarHBondContact O-CA 3.28Å; Y325-E475 PolarHBondContact N-O 3.45Å; Y325-E475 PolarHBondContact O-N 3.31Å; Y325-T477 HydrophobicContact CE2-CG2 4.27Å
326	K	89.7	Confident	73.1	Confident	25 Å²	25	80.9 Å²	80.9	11%	0.109	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.1	-179	-167.4	-173.8	-178.4	-57.7	0	110.5	T338 K340 Y352 F474	K326-T338 PolarHBondContact N-O 3.41Å; K326-T338 PolarHBondContact O-OG1 3.46Å; K326-K340 HydrophobicContact CB-CG 4.01Å; K326-Y352 HydrophobicContact CD-CD2 3.96Å; K326-Y352 HydrophobicContact CD-CE2 3.63Å; K326-F474 HydrophobicContact CB-CD1 4.1Å; K326-F474 HydrophobicContact CB-CE1 4.01Å; K326-F474 HydrophobicContact CD-CE1 4.04Å; K326-F474 HydrophobicContact CD-CZ 4.26Å; K326-F474 HydrophobicContact CG-CD1 4.13Å; K326-F474 HydrophobicContact CG-CE1 3.84Å; K326-F474 HydrophobicContact CG-CZ 4.34Å
327	R	83.4	Confident	72.9	Confident	61 Å²	61	81.8 Å²	81.8	23%	0.23	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	144.1	175.5	-147.8	156.7	161.7	177.3	-10.7	111.1	W336 E462 H473	R327-W336 HydrophobicContact CB-CD2 4.42Å; R327-W336 HydrophobicContact CB-CE3 3.63Å; R327-W336 HydrophobicContact CB-CH2 4.31Å; R327-W336 HydrophobicContact CB-CZ3 3.58Å; R327-W336 HydrophobicContact CG-CD2 4.28Å; R327-W336 HydrophobicContact CG-CE3 3.98Å; R327-W336 HydrophobicContact CG-CZ3 4.17Å; R327-E462 IonicContact NH1-OE2 3.69Å; R327-E462 PolarHBondContact NH1-OE2 3.4Å; R327-H473 HydrophobicContact CB-CB 3.84Å; R327-H473 PolarHBondContact N-O 3.31Å; R327-H473 VanDerWaalsContact N-O 3.11Å
328	T	69.8	Low	73.2	Confident	44 Å²	44	76.9 Å²	76.9	27%	0.27	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-103.4	123.2	175.3	58.9	0	0	0	0	110.4	K330 K337	T328-K330 VanDerWaalsContact C-N 3.25Å; T328-K330 PolarHBondContact O-N 2.63Å; T328-K337 HydrophobicContact CG2-CB 4Å; T328-K337 HydrophobicContact CG2-CG 4.35Å; T328-K337 WeakPolarHBondContact OG1-CD 3.41Å; T328-K337 WeakPolarHBondContact OG1-CE 3.48Å; T328-K337 WeakPolarHBondContact OG1-CG 3.32Å
329	C	55.1	Low	73.5	Confident	113 Å²	113	80.5 Å²	80.5	76%	0.764	40%	0.402	S	S	*	.			trans	-75.9	68.1	-175.7	-51.8	0	0	0	0	112.7
330	K	56.6	Low	73.8	Confident	149 Å²	149	78.2 Å²	78.2	65%	0.648	39%	0.389	S	S	*	.			trans	-103.3	117	164.6	-73	-166.3	174.6	-171.3	0	108.4	T328 L332 S333	T328-K330 VanDerWaalsContact C-N 3.25Å; T328-K330 PolarHBondContact O-N 2.63Å; K330-L332 PolarHBondContact O-N 2.96Å; K330-S333 PolarHBondContact O-N 2.89Å
331	P	48	Very low	74	Confident	132 Å²	132	77.7 Å²	77.7	86%	0.857	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-23	-167.5	-31.2	36.6	0	0	0	117.2
332	L	47.9	Very low	74.1	Confident	176 Å²	176	72.8 Å²	72.8	92%	0.921	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	7.6	-175.5	-87.9	75.7	0	0	0	115.4	K330	K330-L332 PolarHBondContact O-N 2.96Å
333	S	50.4	Low	74.1	Confident	35 Å²	35	72.3 Å²	72.3	25%	0.245	36%	0.357	C	S	.	.			trans	-132.3	114.5	178.5	67.1	0	0	0	0	113.9	K330 E335 K337	K330-S333 PolarHBondContact O-N 2.89Å; S333-E335 PolarHBondContact O-N 2.96Å; S333-K337 VanDerWaalsContact OG-CE 3.23Å; S333-K337 WeakPolarHBondContact OG-CE 3.48Å; S333-K337 PolarHBondContact OG-NZ 3.3Å
334	K	52.7	Low	74.1	Confident	170 Å²	170	68.7 Å²	68.7	74%	0.739	34%	0.341	S	S	*	.			trans	-78.4	30.1	-179.6	-148	-171.5	-175.8	-164.4	0	113.5
335	E	58.9	Low	73.9	Confident	114 Å²	114	69.7 Å²	69.7	53%	0.533	35%	0.348	S	S	.	.			trans	-113.6	133.5	-161.8	-178.5	-174.3	-128.3	0	0	111.9	S333 K337	S333-E335 PolarHBondContact O-N 2.96Å; E335-K337 HydrophobicContact CB-CG 4.45Å; E335-K337 HydrophobicContact CG-CG 4.2Å; E335-K337 VanDerWaalsContact O-CG 3.26Å; E335-K337 WeakPolarHBondContact O-CG 3.4Å; E335-K337 WeakPolarHBondContact OE2-CE 3.28Å; E335-K337 IonicContact OE2-NZ 3.78Å; E335-K337 PolarHBondContact OE2-NZ 3.17Å
336	W	63.8	Low	73.5	Confident	63 Å²	63	70.8 Å²	70.8	24%	0.239	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	109.7	177.6	-61.1	102.9	0	0	0	110.6	R327 E462 H473 E475	R327-W336 HydrophobicContact CB-CD2 4.42Å; R327-W336 HydrophobicContact CB-CE3 3.63Å; R327-W336 HydrophobicContact CB-CH2 4.31Å; R327-W336 HydrophobicContact CB-CZ3 3.58Å; R327-W336 HydrophobicContact CG-CD2 4.28Å; R327-W336 HydrophobicContact CG-CE3 3.98Å; R327-W336 HydrophobicContact CG-CZ3 4.17Å; W336-E462 HydrophobicContact CH2-CB 3.82Å; W336-E462 WeakPolarHBondContact CH2-OE2 3.39Å; W336-E462 HydrophobicContact CZ2-CB 3.9Å; W336-E462 VanDerWaalsContact CZ2-OE2 3.24Å; W336-E462 WeakPolarHBondContact CZ2-OE2 3.29Å; W336-H473 HydrophobicContact CH2-CB 4.28Å; W336-H473 HydrophobicContact CZ3-CB 4.31Å; W336-E475 HydrophobicContact CD2-CB 4.18Å; W336-E475 HydrophobicContact CE3-CB 3.92Å; W336-E475 VanDerWaalsContact CG-OE2 3.29Å; W336-E475 HydrophobicContact CH2-CB 3.67Å; W336-E475 HydrophobicContact CZ2-CB 3.91Å; W336-E475 HydrophobicContact CZ3-CB 3.64Å; W336-E475 PolarHBondContact NE1-OE1 2.68Å; W336-E475 PolarHBondContact NE1-OE2 2.97Å
337	K	60.8	Low	73.1	Confident	87 Å²	87	72.3 Å²	72.3	38%	0.378	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-11.6	-162.1	-44.4	-156.4	-166.1	-141.7	0	116.4	T328 S333 E335	T328-K337 HydrophobicContact CG2-CB 4Å; T328-K337 HydrophobicContact CG2-CG 4.35Å; T328-K337 WeakPolarHBondContact OG1-CD 3.41Å; T328-K337 WeakPolarHBondContact OG1-CE 3.48Å; T328-K337 WeakPolarHBondContact OG1-CG 3.32Å; S333-K337 VanDerWaalsContact OG-CE 3.23Å; S333-K337 WeakPolarHBondContact OG-CE 3.48Å; S333-K337 PolarHBondContact OG-NZ 3.3Å; E335-K337 HydrophobicContact CB-CG 4.45Å; E335-K337 HydrophobicContact CG-CG 4.2Å; E335-K337 VanDerWaalsContact O-CG 3.26Å; E335-K337 WeakPolarHBondContact O-CG 3.4Å; E335-K337 WeakPolarHBondContact OE2-CE 3.28Å; E335-K337 IonicContact OE2-NZ 3.78Å; E335-K337 PolarHBondContact OE2-NZ 3.17Å
338	T	82.2	Confident	73.3	Confident	46 Å²	46	69.4 Å²	69.4	28%	0.282	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	119.5	-178.7	56.7	0	0	0	0	112.7	K326 K340	K326-T338 PolarHBondContact N-O 3.41Å; K326-T338 PolarHBondContact O-OG1 3.46Å; T338-K340 WeakPolarHBondContact OG1-CE 3.32Å
339	K	89	Confident	74.2	Confident	95 Å²	95	71.9 Å²	71.9	41%	0.413	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	144	154.4	-161.3	167.5	-174.2	163.6	0	108.8	F323 Y325	F323-K339 HydrophobicContact CB-CD 4.33Å; F323-K339 HydrophobicContact CB-CG 4.14Å; F323-K339 HydrophobicContact CD1-CD 4.27Å; F323-K339 HydrophobicContact CD1-CG 4.06Å; F323-K339 HydrophobicContact CG-CD 4.48Å; F323-K339 HydrophobicContact CG-CG 4.46Å; Y325-K339 HydrophobicContact CD1-CB 3.87Å; Y325-K339 HydrophobicContact CD1-CG 4.18Å; Y325-K339 HydrophobicContact CE1-CB 3.69Å; Y325-K339 HydrophobicContact CE1-CD 3.84Å; Y325-K339 HydrophobicContact CE1-CG 3.78Å
340	K	92.3	Very high	76	Confident	35 Å²	35	66.5 Å²	66.5	15%	0.152	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.9	175.8	-65	-63.5	167.6	-148.1	0	109.5	F323 L324 K326 T338 V342 Y352 H353	F323-K340 VanDerWaalsContact CA-O 3.29Å; F323-K340 WeakPolarHBondContact CA-O 3.22Å; L324-K340 PolarHBondContact N-O 3.38Å; L324-K340 PolarHBondContact O-N 3.11Å; K326-K340 HydrophobicContact CB-CG 4.01Å; T338-K340 WeakPolarHBondContact OG1-CE 3.32Å; K340-V342 HydrophobicContact CB-CG2 4.21Å; K340-Y352 HydrophobicContact CD-CD2 4.45Å; K340-Y352 HydrophobicContact CG-CD2 4.28Å; K340-H353 WeakPolarHBondContact CA-O 3.29Å; K340-H353 WeakPolarHBondContact CB-O 3.4Å; K340-H353 WeakPolarHBondContact CD-O 3.09Å
341	Y	93.5	Very high	77.8	Confident	17 Å²	17	60.6 Å²	60.6	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.6	165.1	-169.2	-101.7	0	0	0	107.6	Q321 G322 F323 T343 Y352 H353 I356 Y359	Q321-Y341 PolarHBondContact OE1-OH 2.99Å; G322-Y341 WeakPolarHBondContact O-CD2 3.19Å; F323-Y341 HydrophobicContact CD1-CD2 4.07Å; F323-Y341 HydrophobicContact CD2-CD2 4.39Å; F323-Y341 AromaticContact CE1-CD2 3.73Å; F323-Y341 HydrophobicContact CE1-CD2 3.73Å; F323-Y341 HydrophobicContact CE1-CG 4.38Å; F323-Y341 HydrophobicContact CE2-CD2 4.06Å; F323-Y341 HydrophobicContact CE2-CE2 4.4Å; F323-Y341 HydrophobicContact CG-CD2 4.4Å; F323-Y341 AromaticContact CZ-CD2 3.72Å; F323-Y341 HydrophobicContact CZ-CD2 3.72Å; F323-Y341 HydrophobicContact CZ-CE2 4.38Å; Y341-T343 HydrophobicContact CD1-CG2 4.09Å; Y341-T343 HydrophobicContact CE1-CG2 3.54Å; Y341-Y352 CarbonylContact O-C 3.6Å; Y341-Y352 WeakPolarHBondContact O-CA 3.42Å; Y341-H353 PolarHBondContact N-O 3.04Å; Y341-H353 VanDerWaalsContact N-O 3.08Å; Y341-H353 PolarHBondContact O-N 3.25Å; Y341-I356 HydrophobicContact CD1-CG1 4.44Å; Y341-I356 HydrophobicContact CD2-CB 3.94Å; Y341-I356 HydrophobicContact CD2-CD1 4.19Å; Y341-I356 HydrophobicContact CD2-CG1 3.99Å; Y341-I356 HydrophobicContact CE1-CG1 4.32Å; Y341-I356 HydrophobicContact CE2-CB 4.31Å; Y341-I356 HydrophobicContact CE2-CD1 3.69Å; Y341-I356 HydrophobicContact CE2-CG1 3.85Å; Y341-I356 HydrophobicContact CG-CB 4.12Å; Y341-I356 HydrophobicContact CG-CG1 4.27Å; Y341-Y359 AromaticContact CD1-CD1 3.91Å; Y341-Y359 HydrophobicContact CD1-CD1 3.91Å; Y341-Y359 HydrophobicContact CD1-CD2 4.39Å; Y341-Y359 AromaticContact CD1-CG 3.73Å; Y341-Y359 HydrophobicContact CD1-CG 3.73Å; Y341-Y359 AromaticContact CE1-CD1 3.41Å; Y341-Y359 HydrophobicContact CE1-CD1 3.41Å; Y341-Y359 VanDerWaalsContact CE1-CD1 3.41Å; Y341-Y359 HydrophobicContact CE1-CD2 4.34Å; Y341-Y359 AromaticContact CE1-CE1 3.81Å; Y341-Y359 HydrophobicContact CE1-CE1 3.81Å; Y341-Y359 AromaticContact CE1-CG 3.69Å; Y341-Y359 HydrophobicContact CE1-CG 3.69Å
342	V	94	Very high	79.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.1	-172.9	-178.7	0	0	0	0	109.2	Q321 G322 L324 K340 L350 T351 F474 W485	Q321-V342 VanDerWaalsContact CA-O 3.3Å; Q321-V342 WeakPolarHBondContact CA-O 3.4Å; G322-V342 PolarHBondContact N-O 3.5Å; G322-V342 PolarHBondContact O-N 3.21Å; L324-V342 HydrophobicContact CB-CG2 4.01Å; L324-V342 HydrophobicContact CD1-CB 4.33Å; L324-V342 HydrophobicContact CD1-CG1 4.26Å; L324-V342 HydrophobicContact CD1-CG2 4.13Å; L324-V342 HydrophobicContact CG-CG2 4.28Å; K340-V342 HydrophobicContact CB-CG2 4.21Å; V342-L350 HydrophobicContact CG1-CD1 4.13Å; V342-L350 HydrophobicContact CG1-CD2 3.52Å; V342-L350 HydrophobicContact CG1-CG 3.79Å; V342-T351 WeakPolarHBondContact CA-O 3.47Å; V342-F474 HydrophobicContact CG2-CE1 4.39Å; V342-W485 HydrophobicContact CB-CH2 3.96Å; V342-W485 HydrophobicContact CB-CZ2 4.39Å; V342-W485 HydrophobicContact CG1-CH2 3.84Å; V342-W485 HydrophobicContact CG1-CZ3 3.97Å
343	T	93.1	Very high	82	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140	173.9	61.3	0	0	0	0	110.6	P318 K320 Q321 Y341 L350 T351 Y359	P318-T343 HydrophobicContact CB-CG2 4.33Å; P318-T343 HydrophobicContact CG-CG2 4.31Å; K320-T343 WeakPolarHBondContact O-CA 3.41Å; Q321-T343 HydrophobicContact CB-CG2 3.85Å; Y341-T343 HydrophobicContact CD1-CG2 4.09Å; Y341-T343 HydrophobicContact CE1-CG2 3.54Å; T343-L350 CarbonylContact O-C 3.59Å; T343-L350 WeakPolarHBondContact O-CA 3.32Å; T343-T351 PolarHBondContact N-O 3.18Å; T343-T351 PolarHBondContact O-N 3.13Å; T343-T351 PolarHBondContact OG1-OG1 3.34Å; T343-Y359 HydrophobicContact CG2-CD2 4.17Å; T343-Y359 HydrophobicContact CG2-CE1 4.4Å; T343-Y359 HydrophobicContact CG2-CE2 3.72Å
344	L	92.9	Very high	83.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.4	177.1	173.6	70.4	0	0	0	109.3	P318 L319 K320 L350 L370 W485 H488 I489 A492	P318-L344 CarbonylContact C-O 3.54Å; P318-L344 WeakPolarHBondContact CA-O 3.35Å; P318-L344 WeakPolarHBondContact CB-O 3.35Å; L319-L344 HydrophobicContact CB-CD2 4.31Å; L319-L344 HydrophobicContact CB-CG 4.38Å; L319-L344 PolarHBondContact N-O 3.37Å; K320-L344 PolarHBondContact O-N 3.35Å; L344-L350 HydrophobicContact CD1-CB 4.27Å; L344-L370 HydrophobicContact CD1-CD1 3.34Å; L344-W485 HydrophobicContact CB-CZ3 4.38Å; L344-H488 HydrophobicContact CD2-CB 3.69Å; L344-H488 WeakPolarHBondContact CD2-O 3.29Å; L344-I489 HydrophobicContact CD1-CG1 4.35Å; L344-I489 HydrophobicContact CD2-CG1 4.14Å; L344-A492 HydrophobicContact CD1-CB 4.09Å; L344-A492 HydrophobicContact CD2-CB 4.33Å; L344-A492 HydrophobicContact CG-CB 4.46Å
345	T	87.7	Confident	85.4	Confident	22 Å²	22	42.6 Å²	42.6	14%	0.135	21%	0.208	C	C	.	.			trans	-103.2	164.7	176.2	53	0	0	0	0	112.6	D347 A348 R349	T345-D347 VanDerWaalsContact CB-OD1 3.26Å; T345-D347 WeakPolarHBondContact CB-OD1 3.27Å; T345-D347 PolarHBondContact OG1-OD1 2.77Å; T345-A348 PolarHBondContact O-N 3.33Å; T345-R349 PolarHBondContact N-O 2.86Å; T345-R349 PolarHBondContact OG1-N 3.33Å; T345-R349 PolarHBondContact OG1-O 3.18Å; T345-R349 VanDerWaalsContact OG1-O 3.08Å
346	D	82.9	Confident	86.7	Confident	99 Å²	99	40 Å²	40	53%	0.529	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.7	179.8	61.8	-36	0	0	0	114	L319 A348	L319-D346 HydrophobicContact CD1-CB 4.2Å; L319-D346 HydrophobicContact CD2-CB 4.25Å; L319-D346 HydrophobicContact CG-CB 4.2Å; D346-A348 PolarHBondContact O-N 3.2Å; D346-A348 VanDerWaalsContact O-N 3.12Å
347	D	81.3	Confident	87.7	Confident	57 Å²	57	42.9 Å²	42.9	31%	0.305	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	8.9	167.8	72.9	-20	0	0	0	114	T345 R349 R496	T345-D347 VanDerWaalsContact CB-OD1 3.26Å; T345-D347 WeakPolarHBondContact CB-OD1 3.27Å; T345-D347 PolarHBondContact OG1-OD1 2.77Å; D347-R349 VanDerWaalsContact OD1-CD 3.3Å; D347-R349 WeakPolarHBondContact OD1-CD 3.41Å; D347-R349 WeakPolarHBondContact OD2-CD 3.18Å; D347-R349 IonicContact OD2-CZ 3.15Å; D347-R349 IonicContact OD2-NE 2.68Å; D347-R349 IonicContact OD2-NH1 2.82Å; D347-R349 PolarHBondContact OD2-NH1 2.97Å; D347-R496 PolarHBondContact O-NE 2.96Å
348	A	85.6	Confident	89	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	63.6	50.8	178.5	0	0	0	0	0	114.2	T345 D346 L370 A492 R496	T345-A348 PolarHBondContact O-N 3.33Å; D346-A348 PolarHBondContact O-N 3.2Å; D346-A348 VanDerWaalsContact O-N 3.12Å; A348-L370 HydrophobicContact CB-CB 4.23Å; A348-L370 WeakPolarHBondContact O-CA 3.38Å; A348-L370 WeakPolarHBondContact O-CB 3.35Å; A348-L370 WeakPolarHBondContact O-CG 3.23Å; A348-L370 PolarHBondContact O-N 3.37Å; A348-A492 HydrophobicContact CB-CB 4.16Å; A348-A492 WeakPolarHBondContact CB-O 3.23Å; A348-R496 HydrophobicContact CB-CB 3.61Å; A348-R496 HydrophobicContact CB-CG 3.94Å
349	R	89.9	Confident	89.2	Confident	96 Å²	96	39.6 Å²	39.6	36%	0.362	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.9	171.2	-61	151.1	82.2	172.5	3.3	109.4	T345 D347 E367 I368	T345-R349 PolarHBondContact N-O 2.86Å; T345-R349 PolarHBondContact OG1-N 3.33Å; T345-R349 PolarHBondContact OG1-O 3.18Å; T345-R349 VanDerWaalsContact OG1-O 3.08Å; D347-R349 VanDerWaalsContact OD1-CD 3.3Å; D347-R349 WeakPolarHBondContact OD1-CD 3.41Å; D347-R349 WeakPolarHBondContact OD2-CD 3.18Å; D347-R349 IonicContact OD2-CZ 3.15Å; D347-R349 IonicContact OD2-NE 2.68Å; D347-R349 IonicContact OD2-NH1 2.82Å; D347-R349 PolarHBondContact OD2-NH1 2.97Å; R349-E367 HydrophobicContact CB-CG 4.38Å; R349-E367 IonicContact CZ-OE1 2.65Å; R349-E367 VanDerWaalsContact CZ-OE1 3.3Å; R349-E367 IonicContact CZ-OE2 2.77Å; R349-E367 IonicContact NE-OE1 3.18Å; R349-E367 PolarHBondContact NE-OE1 3.14Å; R349-E367 IonicContact NE-OE2 2.86Å; R349-E367 PolarHBondContact NE-OE2 2.77Å; R349-E367 IonicContact NH2-OE1 3.62Å; R349-E367 PolarHBondContact NH2-OE1 3.33Å; R349-E367 IonicContact NH2-OE2 2.97Å; R349-E367 PolarHBondContact NH2-OE2 2.81Å; R349-I368 WeakPolarHBondContact CA-O 3.3Å
350	L	93.2	Very high	89	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.7	175.7	-173.6	152.8	0	0	0	108.8	V342 T343 L344 I368 L370 L465 F474 I489	V342-L350 HydrophobicContact CG1-CD1 4.13Å; V342-L350 HydrophobicContact CG1-CD2 3.52Å; V342-L350 HydrophobicContact CG1-CG 3.79Å; T343-L350 CarbonylContact O-C 3.59Å; T343-L350 WeakPolarHBondContact O-CA 3.32Å; L344-L350 HydrophobicContact CD1-CB 4.27Å; L350-I368 HydrophobicContact CB-CB 4.46Å; L350-I368 HydrophobicContact CD2-CD1 4.21Å; L350-I368 PolarHBondContact N-O 2.83Å; L350-I368 PolarHBondContact O-N 2.79Å; L350-L370 HydrophobicContact CB-CD1 4.15Å; L350-L370 HydrophobicContact CB-CD2 4.18Å; L350-L370 HydrophobicContact CB-CG 4.28Å; L350-L465 HydrophobicContact CD1-CD1 4.23Å; L350-F474 HydrophobicContact CD2-CZ 4.36Å; L350-I489 HydrophobicContact CD1-CD1 3.57Å; L350-I489 HydrophobicContact CD1-CG1 3.92Å
351	T	92.8	Very high	88.5	Confident	25 Å²	25	44.4 Å²	44.4	15%	0.153	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	144.2	178.3	78.7	0	0	0	0	110.6	V342 T343 K366 E367	V342-T351 WeakPolarHBondContact CA-O 3.47Å; T343-T351 PolarHBondContact N-O 3.18Å; T343-T351 PolarHBondContact O-N 3.13Å; T343-T351 PolarHBondContact OG1-OG1 3.34Å; T351-K366 CarbonylContact C-O 3.59Å; T351-K366 VanDerWaalsContact CA-O 3.31Å; T351-K366 WeakPolarHBondContact CA-O 3.44Å; T351-E367 HydrophobicContact CG2-CB 4.44Å; T351-E367 HydrophobicContact CG2-CG 4.37Å
352	Y	93.6	Very high	87.8	Confident	27 Å²	27	49 Å²	49	11%	0.106	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.5	176.8	64.5	-83	0	0	0	111.5	K326 K340 Y341 K366 I368 F474	K326-Y352 HydrophobicContact CD-CD2 3.96Å; K326-Y352 HydrophobicContact CD-CE2 3.63Å; K340-Y352 HydrophobicContact CD-CD2 4.45Å; K340-Y352 HydrophobicContact CG-CD2 4.28Å; Y341-Y352 CarbonylContact O-C 3.6Å; Y341-Y352 WeakPolarHBondContact O-CA 3.42Å; Y352-K366 HydrophobicContact CD1-CB 4.17Å; Y352-K366 WeakPolarHBondContact CD1-O 3.4Å; Y352-K366 HydrophobicContact CD2-CB 4.29Å; Y352-K366 HydrophobicContact CE1-CB 3.64Å; Y352-K366 WeakPolarHBondContact CE1-O 3.2Å; Y352-K366 HydrophobicContact CE2-CB 3.8Å; Y352-K366 HydrophobicContact CE2-CD 4.2Å; Y352-K366 HydrophobicContact CE2-CG 4.46Å; Y352-K366 HydrophobicContact CG-CB 4.46Å; Y352-K366 VanDerWaalsContact CZ-CB 3.43Å; Y352-K366 PolarHBondContact N-O 3.36Å; Y352-K366 PolarHBondContact O-N 2.85Å; Y352-I368 HydrophobicContact CD1-CD1 4.16Å; Y352-I368 HydrophobicContact CD1-CG1 4.26Å; Y352-I368 HydrophobicContact CE1-CD1 3.89Å; Y352-I368 HydrophobicContact CE1-CG1 3.86Å; Y352-F474 HydrophobicContact CD1-CZ 4.4Å
353	H	91.3	Very high	86.9	Confident	14 Å²	14	50.6 Å²	50.6	7%	0.065	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153.5	-176.2	-70.4	-105.9	0	0	0	110.9	K340 Y341 S355 D358 Y359 S363 G365	K340-H353 WeakPolarHBondContact CA-O 3.29Å; K340-H353 WeakPolarHBondContact CB-O 3.4Å; K340-H353 WeakPolarHBondContact CD-O 3.09Å; Y341-H353 PolarHBondContact N-O 3.04Å; Y341-H353 VanDerWaalsContact N-O 3.08Å; Y341-H353 PolarHBondContact O-N 3.25Å; H353-S355 VanDerWaalsContact C-N 3.32Å; H353-S355 WeakPolarHBondContact CB-O 3.49Å; H353-S355 PolarHBondContact O-N 2.87Å; H353-D358 HydrophobicContact CB-CB 4.16Å; H353-D358 PolarHBondContact ND1-O 3.26Å; H353-Y359 AromaticContact CD2-CD2 3.89Å; H353-Y359 WeakPolarHBondContact ND1-CA 3.4Å; H353-Y359 PolarHBondContact ND1-N 2.9Å; H353-Y359 AromaticContact NE2-CD2 3.76Å; H353-S363 PolarHBondContact CE1-O 3.45Å; H353-S363 PolarHBondContact ND1-O 3.08Å; H353-G365 WeakPolarHBondContact CE1-CA 3.37Å; H353-G365 WeakPolarHBondContact ND1-CA 3.29Å; H353-G365 PolarHBondContact ND1-N 3.09Å
354	P	88.4	Confident	86.2	Confident	56 Å²	56	57 Å²	57	36%	0.364	29%	0.292	S	S	.	.	S	Bend	trans	-58.2	-40.7	178	-22.1	31.5	0	0	0	113.8	D358 H364	P354-D358 WeakPolarHBondContact CB-OD2 3.21Å; P354-D358 HydrophobicContact CG-CB 4.46Å; P354-H364 HydrophobicContact CG-CB 3.82Å
355	S	86	Confident	85.8	Confident	38 Å²	38	58.9 Å²	58.9	27%	0.266	31%	0.311	S	S	.	.	S	Bend	trans	-141.7	176.3	174.2	77.9	0	0	0	0	111.2	H353 H357 D358 Y359	H353-S355 VanDerWaalsContact C-N 3.32Å; H353-S355 WeakPolarHBondContact CB-O 3.49Å; H353-S355 PolarHBondContact O-N 2.87Å; S355-H357 VanDerWaalsContact C-N 3.26Å; S355-H357 PolarHBondContact O-N 3.31Å; S355-H357 PolarHBondContact OG-N 3.11Å; S355-H357 VanDerWaalsContact OG-N 3.16Å; S355-D358 WeakPolarHBondContact CA-OD2 3.37Å; S355-D358 WeakPolarHBondContact CB-OD2 3.3Å; S355-D358 PolarHBondContact N-OD2 3.16Å; S355-D358 PolarHBondContact OG-N 3.47Å; S355-D358 PolarHBondContact OG-OD2 3.05Å; S355-Y359 PolarHBondContact O-N 2.82Å
356	I	85.7	Confident	85.9	Confident	59 Å²	59	64.1 Å²	64.1	30%	0.303	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-26.5	171.7	-167.5	169.1	0	0	0	112.4	F323 Y341 Y359 M360	F323-I356 HydrophobicContact CZ-CB 4.26Å; Y341-I356 HydrophobicContact CD1-CG1 4.44Å; Y341-I356 HydrophobicContact CD2-CB 3.94Å; Y341-I356 HydrophobicContact CD2-CD1 4.19Å; Y341-I356 HydrophobicContact CD2-CG1 3.99Å; Y341-I356 HydrophobicContact CE1-CG1 4.32Å; Y341-I356 HydrophobicContact CE2-CB 4.31Å; Y341-I356 HydrophobicContact CE2-CD1 3.69Å; Y341-I356 HydrophobicContact CE2-CG1 3.85Å; Y341-I356 HydrophobicContact CG-CB 4.12Å; Y341-I356 HydrophobicContact CG-CG1 4.27Å; I356-Y359 WeakPolarHBondContact O-CB 3.39Å; I356-Y359 PolarHBondContact O-N 3.31Å; I356-M360 HydrophobicContact CG1-SD 4.47Å; I356-M360 WeakPolarHBondContact O-CB 3.5Å; I356-M360 VanDerWaalsContact O-CG 3.3Å; I356-M360 WeakPolarHBondContact O-CG 3.28Å; I356-M360 PolarHBondContact O-N 3.22Å
357	H	85.7	Confident	86.2	Confident	123 Å²	123	64 Å²	64	57%	0.569	33%	0.328	S	S	*	.	H	α-helix	trans	-70.6	-43.4	176.4	-58.6	105.8	0	0	0	111.1	S355 Y359 M360 D361	S355-H357 VanDerWaalsContact C-N 3.26Å; S355-H357 PolarHBondContact O-N 3.31Å; S355-H357 PolarHBondContact OG-N 3.11Å; S355-H357 VanDerWaalsContact OG-N 3.16Å; H357-Y359 PolarHBondContact O-N 3.09Å; H357-M360 CarbonylContact O-C 3.38Å; H357-M360 WeakPolarHBondContact O-CA 3.26Å; H357-M360 WeakPolarHBondContact O-CB 3.48Å; H357-M360 PolarHBondContact O-N 2.92Å; H357-D361 WeakPolarHBondContact O-CB 3.48Å; H357-D361 PolarHBondContact O-N 3.1Å
358	D	88.1	Confident	86.7	Confident	31 Å²	31	61.3 Å²	61.3	17%	0.166	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-36.8	174.5	-50.1	-92.8	0	0	0	111.2	H353 P354 S355 D361 N362 S363 H364	H353-D358 HydrophobicContact CB-CB 4.16Å; H353-D358 PolarHBondContact ND1-O 3.26Å; P354-D358 WeakPolarHBondContact CB-OD2 3.21Å; P354-D358 HydrophobicContact CG-CB 4.46Å; S355-D358 WeakPolarHBondContact CA-OD2 3.37Å; S355-D358 WeakPolarHBondContact CB-OD2 3.3Å; S355-D358 PolarHBondContact N-OD2 3.16Å; S355-D358 PolarHBondContact OG-N 3.47Å; S355-D358 PolarHBondContact OG-OD2 3.05Å; D358-D361 PolarHBondContact O-N 3.2Å; D358-N362 CarbonylContact O-C 3.57Å; D358-N362 PolarHBondContact O-N 3.27Å; D358-S363 CarbonylContact C-O 3.42Å; D358-S363 WeakPolarHBondContact CA-OG 3.33Å; D358-S363 WeakPolarHBondContact CB-O 3.44Å; D358-S363 PolarHBondContact O-N 3.45Å; D358-S363 PolarHBondContact O-OG 3.29Å; D358-H364 HydrophobicContact CB-CB 4.47Å; D358-H364 IonicContact OD1-CD2 2.71Å; D358-H364 PolarHBondContact OD1-CD2 3.28Å
359	Y	86.2	Confident	86.8	Confident	34 Å²	34	65.1 Å²	65.1	13%	0.133	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-51.5	168.8	173.7	-106.7	0	0	0	111.3	R315 Y341 T343 H353 S355 I356 H357 D361 N362	R315-Y359 PolarHBondContact NH1-O 3.38Å; Y341-Y359 AromaticContact CD1-CD1 3.91Å; Y341-Y359 HydrophobicContact CD1-CD1 3.91Å; Y341-Y359 HydrophobicContact CD1-CD2 4.39Å; Y341-Y359 AromaticContact CD1-CG 3.73Å; Y341-Y359 HydrophobicContact CD1-CG 3.73Å; Y341-Y359 AromaticContact CE1-CD1 3.41Å; Y341-Y359 HydrophobicContact CE1-CD1 3.41Å; Y341-Y359 VanDerWaalsContact CE1-CD1 3.41Å; Y341-Y359 HydrophobicContact CE1-CD2 4.34Å; Y341-Y359 AromaticContact CE1-CE1 3.81Å; Y341-Y359 HydrophobicContact CE1-CE1 3.81Å; Y341-Y359 AromaticContact CE1-CG 3.69Å; Y341-Y359 HydrophobicContact CE1-CG 3.69Å; T343-Y359 HydrophobicContact CG2-CD2 4.17Å; T343-Y359 HydrophobicContact CG2-CE1 4.4Å; T343-Y359 HydrophobicContact CG2-CE2 3.72Å; H353-Y359 AromaticContact CD2-CD2 3.89Å; H353-Y359 WeakPolarHBondContact ND1-CA 3.4Å; H353-Y359 PolarHBondContact ND1-N 2.9Å; H353-Y359 AromaticContact NE2-CD2 3.76Å; S355-Y359 PolarHBondContact O-N 2.82Å; I356-Y359 WeakPolarHBondContact O-CB 3.39Å; I356-Y359 PolarHBondContact O-N 3.31Å; H357-Y359 PolarHBondContact O-N 3.09Å; Y359-D361 PolarHBondContact O-N 2.89Å; Y359-D361 VanDerWaalsContact O-N 3.16Å; Y359-N362 PolarHBondContact O-N 3.24Å
360	M	83.9	Confident	86.8	Confident	112 Å²	112	60.6 Å²	60.6	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-58.9	-24.2	178	-73.4	179	67	0	0	114.1	R315 I356 H357	R315-M360 PolarHBondContact NH1-O 3.11Å; R315-M360 PolarHBondContact NH2-O 2.81Å; I356-M360 HydrophobicContact CG1-SD 4.47Å; I356-M360 WeakPolarHBondContact O-CB 3.5Å; I356-M360 VanDerWaalsContact O-CG 3.3Å; I356-M360 WeakPolarHBondContact O-CG 3.28Å; I356-M360 PolarHBondContact O-N 3.22Å; H357-M360 CarbonylContact O-C 3.38Å; H357-M360 WeakPolarHBondContact O-CA 3.26Å; H357-M360 WeakPolarHBondContact O-CB 3.48Å; H357-M360 PolarHBondContact O-N 2.92Å
361	D	82.6	Confident	86.3	Confident	118 Å²	118	62.7 Å²	62.7	63%	0.631	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	0.4	177.2	-63.1	-28.7	0	0	0	113.5	H357 D358 Y359 S363	H357-D361 WeakPolarHBondContact O-CB 3.48Å; H357-D361 PolarHBondContact O-N 3.1Å; D358-D361 PolarHBondContact O-N 3.2Å; Y359-D361 PolarHBondContact O-N 2.89Å; Y359-D361 VanDerWaalsContact O-N 3.16Å; D361-S363 PolarHBondContact O-N 3.3Å
362	N	78.8	Confident	85.8	Confident	114 Å²	114	70 Å²	70	61%	0.61	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	23.4	-168.8	-75.9	-10.3	0	0	0	113.8	R315 D358 Y359	R315-N362 PolarHBondContact NE-OD1 3.32Å; R315-N362 PolarHBondContact NH1-OD1 3.02Å; R315-N362 PolarHBondContact NH2-OD1 2.87Å; D358-N362 CarbonylContact O-C 3.57Å; D358-N362 PolarHBondContact O-N 3.27Å; Y359-N362 PolarHBondContact O-N 3.24Å
363	S	75.8	Confident	85.5	Confident	34 Å²	34	69.1 Å²	69.1	24%	0.238	35%	0.354	C	S	.	.			trans	-98.4	155.8	-177.5	72	0	0	0	0	112	H353 D358 D361 G365	H353-S363 PolarHBondContact CE1-O 3.45Å; H353-S363 PolarHBondContact ND1-O 3.08Å; D358-S363 CarbonylContact C-O 3.42Å; D358-S363 WeakPolarHBondContact CA-OG 3.33Å; D358-S363 WeakPolarHBondContact CB-O 3.44Å; D358-S363 PolarHBondContact O-N 3.45Å; D358-S363 PolarHBondContact O-OG 3.29Å; D361-S363 PolarHBondContact O-N 3.3Å; S363-G365 PolarHBondContact O-N 2.91Å
364	H	77.7	Confident	85.4	Confident	139 Å²	139	72.2 Å²	72.2	64%	0.644	37%	0.374	S	S	*	.	S	Bend	trans	52.3	13.7	170.4	-55.2	-56.2	0	0	0	117.7	P354 D358	P354-H364 HydrophobicContact CG-CB 3.82Å; D358-H364 HydrophobicContact CB-CB 4.47Å; D358-H364 IonicContact OD1-CD2 2.71Å; D358-H364 PolarHBondContact OD1-CD2 3.28Å
365	G	83.9	Confident	85.5	Confident	39 Å²	39	70.2 Å²	70.2	40%	0.402	36%	0.36	S	S	.	.			trans	-64	142.6	176.3	0	0	0	0	0	111.8	H353 S363	H353-G365 WeakPolarHBondContact CE1-CA 3.37Å; H353-G365 WeakPolarHBondContact ND1-CA 3.29Å; H353-G365 PolarHBondContact ND1-N 3.09Å; S363-G365 PolarHBondContact O-N 2.91Å
366	K	90	Very high	85.7	Confident	131 Å²	131	73.3 Å²	73.3	57%	0.57	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.4	170.1	-69.5	-167.3	175.9	-167	0	109.8	T351 Y352	T351-K366 CarbonylContact C-O 3.59Å; T351-K366 VanDerWaalsContact CA-O 3.31Å; T351-K366 WeakPolarHBondContact CA-O 3.44Å; Y352-K366 HydrophobicContact CD1-CB 4.17Å; Y352-K366 WeakPolarHBondContact CD1-O 3.4Å; Y352-K366 HydrophobicContact CD2-CB 4.29Å; Y352-K366 HydrophobicContact CE1-CB 3.64Å; Y352-K366 WeakPolarHBondContact CE1-O 3.2Å; Y352-K366 HydrophobicContact CE2-CB 3.8Å; Y352-K366 HydrophobicContact CE2-CD 4.2Å; Y352-K366 HydrophobicContact CE2-CG 4.46Å; Y352-K366 HydrophobicContact CG-CB 4.46Å; Y352-K366 VanDerWaalsContact CZ-CB 3.43Å; Y352-K366 PolarHBondContact N-O 3.36Å; Y352-K366 PolarHBondContact O-N 2.85Å
367	E	90	Very high	85.7	Confident	96 Å²	96	72 Å²	72	45%	0.449	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	150.8	-173.3	-176.5	154.7	-108.3	0	0	112.2	R349 T351	R349-E367 HydrophobicContact CB-CG 4.38Å; R349-E367 IonicContact CZ-OE1 2.65Å; R349-E367 VanDerWaalsContact CZ-OE1 3.3Å; R349-E367 IonicContact CZ-OE2 2.77Å; R349-E367 IonicContact NE-OE1 3.18Å; R349-E367 PolarHBondContact NE-OE1 3.14Å; R349-E367 IonicContact NE-OE2 2.86Å; R349-E367 PolarHBondContact NE-OE2 2.77Å; R349-E367 IonicContact NH2-OE1 3.62Å; R349-E367 PolarHBondContact NH2-OE1 3.33Å; R349-E367 IonicContact NH2-OE2 2.97Å; R349-E367 PolarHBondContact NH2-OE2 2.81Å; T351-E367 HydrophobicContact CG2-CB 4.44Å; T351-E367 HydrophobicContact CG2-CG 4.37Å
368	I	90.7	Very high	85.3	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	113	169.5	-54.8	-179.5	0	0	0	106.5	R349 L350 Y352 L370 T373 L465 W472 F474	R349-I368 WeakPolarHBondContact CA-O 3.3Å; L350-I368 HydrophobicContact CB-CB 4.46Å; L350-I368 HydrophobicContact CD2-CD1 4.21Å; L350-I368 PolarHBondContact N-O 2.83Å; L350-I368 PolarHBondContact O-N 2.79Å; Y352-I368 HydrophobicContact CD1-CD1 4.16Å; Y352-I368 HydrophobicContact CD1-CG1 4.26Å; Y352-I368 HydrophobicContact CE1-CD1 3.89Å; Y352-I368 HydrophobicContact CE1-CG1 3.86Å; I368-L370 HydrophobicContact CG2-CD2 4.11Å; I368-L370 PolarHBondContact O-N 3.35Å; I368-T373 HydrophobicContact CG2-CG2 4.45Å; I368-L465 HydrophobicContact CD1-CD1 4.04Å; I368-L465 HydrophobicContact CG2-CD1 4.41Å; I368-W472 HydrophobicContact CD1-CB 4.02Å; I368-W472 HydrophobicContact CD1-CD2 3.58Å; I368-W472 HydrophobicContact CD1-CE3 4.18Å; I368-W472 HydrophobicContact CD1-CG 3.51Å; I368-W472 HydrophobicContact CD1-CZ2 4.4Å; I368-W472 HydrophobicContact CG1-CD2 4.12Å; I368-W472 HydrophobicContact CG1-CG 4.41Å; I368-W472 HydrophobicContact CG1-CZ2 4Å; I368-W472 HydrophobicContact CG2-CD2 4.4Å; I368-W472 HydrophobicContact CG2-CE3 4.11Å; I368-W472 HydrophobicContact CG2-CH2 3.82Å; I368-W472 HydrophobicContact CG2-CZ2 4.11Å; I368-W472 HydrophobicContact CG2-CZ3 3.82Å; I368-F474 HydrophobicContact CD1-CE2 4.07Å; I368-F474 HydrophobicContact CD1-CZ 4.17Å
369	D	89.2	Confident	84.3	Confident	79 Å²	79	70.6 Å²	70.6	42%	0.422	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119	168.5	174	7.4	0	0	0	108.9	S371 T373	D369-S371 VanDerWaalsContact CG-OG 3.23Å; D369-S371 WeakPolarHBondContact OD1-CB 3.31Å; D369-S371 PolarHBondContact OD1-N 2.72Å; D369-S371 PolarHBondContact OD1-OG 3.12Å; D369-S371 PolarHBondContact OD2-OG 3.18Å; D369-S371 VanDerWaalsContact OD2-OG 3.06Å; D369-T373 PolarHBondContact O-OG1 3.35Å
370	L	90.1	Very high	83.3	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	40%	0.396	C	S	.	.	S	Bend	trans	-85.6	-14.8	-179.2	-55.9	172.6	0	0	0	112.8	L344 A348 L350 I368 R372 T373 L465 I489 I493	L344-L370 HydrophobicContact CD1-CD1 3.34Å; A348-L370 HydrophobicContact CB-CB 4.23Å; A348-L370 WeakPolarHBondContact O-CA 3.38Å; A348-L370 WeakPolarHBondContact O-CB 3.35Å; A348-L370 WeakPolarHBondContact O-CG 3.23Å; A348-L370 PolarHBondContact O-N 3.37Å; L350-L370 HydrophobicContact CB-CD1 4.15Å; L350-L370 HydrophobicContact CB-CD2 4.18Å; L350-L370 HydrophobicContact CB-CG 4.28Å; I368-L370 HydrophobicContact CG2-CD2 4.11Å; I368-L370 PolarHBondContact O-N 3.35Å; L370-R372 PolarHBondContact O-N 3.21Å; L370-T373 HydrophobicContact CD2-CG2 4.39Å; L370-T373 PolarHBondContact O-N 3.21Å; L370-L465 HydrophobicContact CD2-CD1 4.14Å; L370-I489 HydrophobicContact CD1-CG2 3.95Å; L370-I489 HydrophobicContact CD2-CG2 4.1Å; L370-I493 HydrophobicContact CB-CD1 4.32Å; L370-I493 HydrophobicContact CB-CG1 3.75Å
371	S	82.7	Confident	81.4	Confident	44 Å²	44	71.1 Å²	71.1	31%	0.308	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.5	-178.2	74.6	0	0	0	0	113.9	D369	D369-S371 VanDerWaalsContact CG-OG 3.23Å; D369-S371 WeakPolarHBondContact OD1-CB 3.31Å; D369-S371 PolarHBondContact OD1-N 2.72Å; D369-S371 PolarHBondContact OD1-OG 3.12Å; D369-S371 PolarHBondContact OD2-OG 3.18Å; D369-S371 VanDerWaalsContact OD2-OG 3.06Å
372	R	81.8	Confident	79.4	Confident	180 Å²	180	72.9 Å²	72.9	68%	0.679	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	29	175	-59.1	-176.2	179	-160.6	-3	112.4	L370 S467	L370-R372 PolarHBondContact O-N 3.21Å; R372-S467 WeakPolarHBondContact O-CA 3.15Å; R372-S467 WeakPolarHBondContact O-CB 3.33Å; R372-S467 PolarHBondContact O-OG 2.92Å
373	T	86.9	Confident	77.6	Confident	8 Å²	8	76.8 Å²	76.8	5%	0.049	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142	-176.4	-58.5	0	0	0	0	110.8	I368 D369 L370 L465 I466 S467 W472 I493	I368-T373 HydrophobicContact CG2-CG2 4.45Å; D369-T373 PolarHBondContact O-OG1 3.35Å; L370-T373 HydrophobicContact CD2-CG2 4.39Å; L370-T373 PolarHBondContact O-N 3.21Å; T373-L465 HydrophobicContact CG2-CB 3.8Å; T373-I466 WeakPolarHBondContact CA-O 3.47Å; T373-S467 WeakPolarHBondContact OG1-CB 3.48Å; T373-W472 HydrophobicContact CG2-CZ3 4.34Å; T373-I493 WeakPolarHBondContact O-CD1 3.33Å
374	T	89.4	Confident	75.9	Confident	79 Å²	79	79.6 Å²	79.6	49%	0.485	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	153.9	177.9	56.4	0	0	0	0	110.9	L465 I466	T374-L465 CarbonylContact O-C 3.53Å; T374-L465 WeakPolarHBondContact O-CA 3.45Å; T374-I466 PolarHBondContact N-O 2.97Å; T374-I466 PolarHBondContact O-N 3.35Å; T374-I466 PolarHBondContact OG1-O 3.31Å
375	V	91	Very high	73.7	Confident	13 Å²	13	77.7 Å²	77.7	8%	0.079	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.9	174	-163.1	0	0	0	0	109.4	F463 Q464 L465 V486 I489 E490 I493	V375-F463 HydrophobicContact CG1-CD2 4.23Å; V375-Q464 CarbonylContact C-O 3.52Å; V375-L465 HydrophobicContact CB-CD2 4.36Å; V375-L465 HydrophobicContact CG1-CD2 4.15Å; V375-L465 HydrophobicContact CG2-CD2 3.88Å; V375-V486 HydrophobicContact CG1-CB 4.47Å; V375-V486 HydrophobicContact CG1-CG1 4.05Å; V375-V486 HydrophobicContact CG1-CG2 3.98Å; V375-I489 HydrophobicContact CG2-CB 4.25Å; V375-I489 HydrophobicContact CG2-CG2 3.46Å; V375-I489 VanDerWaalsContact CG2-CG2 3.46Å; V375-E490 HydrophobicContact CG2-CG 4.18Å; V375-I493 HydrophobicContact CG2-CD1 4.23Å
376	K	88.7	Confident	71.3	Confident	104 Å²	104	79 Å²	79	45%	0.452	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.1	176.8	177.4	-173.4	178.3	-173.1	0	109.9	P378 Q464 I466	K376-P378 WeakPolarHBondContact O-CD 3.49Å; K376-Q464 HydrophobicContact CB-CB 4.38Å; K376-Q464 PolarHBondContact N-O 3.47Å; K376-Q464 PolarHBondContact O-N 3.07Å; K376-I466 HydrophobicContact CB-CD1 4.06Å; K376-I466 HydrophobicContact CD-CD1 3.69Å
377	I	87.2	Confident	68.4	Low	32 Å²	32	77.5 Å²	77.5	16%	0.164	44%	0.44	C	S	.	.			trans	-95	117.2	169.2	-54.6	176.4	0	0	0	107.9	V380 V486	I377-V380 HydrophobicContact CB-CB 4.17Å; I377-V380 HydrophobicContact CB-CG2 4.18Å; I377-V380 HydrophobicContact CG2-CB 4.24Å; I377-V380 HydrophobicContact CG2-CG2 3.71Å; I377-V380 PolarHBondContact O-N 2.96Å; I377-V486 HydrophobicContact CD1-CG1 4.38Å; I377-V486 HydrophobicContact CD1-CG2 4.15Å; I377-V486 HydrophobicContact CG1-CG2 4.15Å
378	P	76.7	Confident	65.6	Low	30 Å²	30	84.6 Å²	84.6	20%	0.195	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	146.8	173.7	-28.6	41.1	0	0	0	112.2	K376 V380 E462 Q464	K376-P378 WeakPolarHBondContact O-CD 3.49Å; P378-V380 PolarHBondContact O-N 3.3Å; P378-V380 VanDerWaalsContact O-N 3.13Å; P378-E462 HydrophobicContact CB-CG 4.3Å; P378-E462 WeakPolarHBondContact CB-OE1 3.12Å; P378-E462 WeakPolarHBondContact CD-O 3.45Å; P378-E462 HydrophobicContact CG-CG 3.9Å; P378-E462 VanDerWaalsContact CG-OE1 3.31Å; P378-E462 WeakPolarHBondContact CG-OE1 3.43Å; P378-Q464 HydrophobicContact CG-CG 4.01Å
379	G	66.9	Low	62.7	Low	94 Å²	94	91.2 Å²	91.2	97%	0.969	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-13.2	-175.2	0	0	0	0	0	115.8
380	V	64.9	Low	59.7	Low	68 Å²	68	94.3 Å²	94.3	41%	0.412	52%	0.518	S	S	.	.	S	Bend	trans	-106.7	127.4	-179.8	-173.9	0	0	0	0	110.5	I377 P378	I377-V380 HydrophobicContact CB-CB 4.17Å; I377-V380 HydrophobicContact CB-CG2 4.18Å; I377-V380 HydrophobicContact CG2-CB 4.24Å; I377-V380 HydrophobicContact CG2-CG2 3.71Å; I377-V380 PolarHBondContact O-N 2.96Å; P378-V380 PolarHBondContact O-N 3.3Å; P378-V380 VanDerWaalsContact O-N 3.13Å
381	A	43.8	Very low	56.8	Low	89 Å²	89	98.9 Å²	98.9	74%	0.736	55%	0.551	S	S	*	*			trans	-65.5	140.7	171.5	0	0	0	0	0	110.7	R383	A381-R383 PolarHBondContact O-N 2.96Å
382	F	41.2	Very low	54.1	Low	154 Å²	154	105.6 Å²	105.6	68%	0.675	58%	0.583	S	S	*	*			trans	-56.1	106.9	-168.3	-175.3	-101.6	0	0	0	113	Q384	F382-Q384 HydrophobicContact CD1-CG 4.06Å; F382-Q384 HydrophobicContact CE1-CG 3.72Å
383	R	41.6	Very low	51.5	Low	196 Å²	196	99.8 Å²	99.8	74%	0.74	58%	0.579	S	S	*	*			trans	-83	114.5	176.4	-71.4	-173.2	172.9	-162.8	-2.4	110	A381 V385	A381-R383 PolarHBondContact O-N 2.96Å; R383-V385 PolarHBondContact O-N 3.24Å; R383-V385 VanDerWaalsContact O-N 3.12Å
384	Q	39.9	Very low	48.7	Very low	93 Å²	93	107.9 Å²	107.9	44%	0.435	62%	0.621	S	S	.	*			trans	-76	95.3	165.9	-71.6	-172.4	-66.4	0	0	109.8	F382 G386 Q607	F382-Q384 HydrophobicContact CD1-CG 4.06Å; F382-Q384 HydrophobicContact CE1-CG 3.72Å; Q384-G386 PolarHBondContact O-N 3.27Å; Q384-Q607 VanDerWaalsContact OE1-NE2 3.13Å
385	V	31.9	Very low	45.8	Very low	100 Å²	100	112.7 Å²	112.7	61%	0.606	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	58.3	170.1	-168.3	0	0	0	0	109.9	R383	R383-V385 PolarHBondContact O-N 3.24Å; R383-V385 VanDerWaalsContact O-N 3.12Å
386	G	31.9	Very low	42.7	Very low	65 Å²	65	124 Å²	124	67%	0.67	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-8.7	-176.4	0	0	0	0	0	114.8	Q384	Q384-G386 PolarHBondContact O-N 3.27Å
387	S	30.7	Very low	39.8	Very low	100 Å²	100	124.7 Å²	124.7	70%	0.699	70%	0.702	S	S	*	*	S	Bend	trans	-122.3	55.9	-170.6	-155.4	0	0	0	0	112.7
388	R	30.4	Very low	37	Very low	245 Å²	245	131.6 Å²	131.6	93%	0.925	73%	0.734	S	S	*	*	S	Bend	trans	-159.7	24.8	168.6	-116.4	173.1	-150.6	-148.1	4.2	116
389	I	29.4	Very low	35	Very low	142 Å²	142	138.6 Å²	138.6	73%	0.728	77%	0.769	S	S	*	*			trans	-129.4	68.8	168.2	-49.4	179.8	0	0	0	109.5
390	T	26.6	Very low	33.2	Very low	143 Å²	143	141.5 Å²	141.5	88%	0.877	76%	0.762	S	S	*	*			trans	-125.3	55.9	171.2	52.9	0	0	0	0	109.9
391	S	28.8	Very low	31.7	Very low	97 Å²	97	146.4 Å²	146.4	68%	0.678	79%	0.786	S	S	*	*			trans	-113.6	95	174	58.3	0	0	0	0	109.9	G393	S391-G393 PolarHBondContact O-N 3.36Å
392	N	26.7	Very low	31	Very low	185 Å²	185	145.5 Å²	145.5	99%	0.989	79%	0.785	S	S	*	*			trans	-66	97.1	165.9	-81	-30.1	0	0	0	108.9
393	G	27.7	Very low	30.6	Very low	58 Å²	58	141.1 Å²	141.1	60%	0.598	78%	0.784	S	S	*	*			trans	173.7	147.1	178.6	0	0	0	0	0	112.3	S391	S391-G393 PolarHBondContact O-N 3.36Å
394	L	27.4	Very low	30.1	Very low	178 Å²	178	138.3 Å²	138.3	93%	0.932	79%	0.788	S	S	*	*	S	Bend	trans	62.3	69.6	173.3	-58.3	170.6	0	0	0	116.8
395	L	27.7	Very low	29.8	Very low	180 Å²	180	139 Å²	139	94%	0.942	80%	0.795	S	S	*	*			trans	-168.6	58.3	141.8	-109	167.8	0	0	0	114
396	R	26.7	Very low	29.8	Very low	251 Å²	251	143.6 Å²	143.6	95%	0.947	80%	0.801	S	S	*	*			trans	-153.3	68.9	168.5	-154.2	179.7	-168.5	-162.4	2.7	115.3
397	S	26.9	Very low	29.9	Very low	118 Å²	118	150.6 Å²	150.6	83%	0.825	81%	0.808	S	S	*	*			trans	-171	121.9	154.3	-177.6	0	0	0	0	109.6
398	Q	29.4	Very low	30	Very low	178 Å²	178	150.6 Å²	150.6	83%	0.832	81%	0.807	S	S	*	*			trans	162.4	59.9	161.4	-86.1	-96.5	-3.6	0	0	109.6
399	L	34.7	Very low	30.2	Very low	177 Å²	177	145.1 Å²	145.1	93%	0.927	80%	0.801	S	S	*	*			trans	-139.7	135.6	156.9	-78	-179.1	0	0	0	107.2
400	N	28.7	Very low	30.4	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	80%	0.8	S	S	*	*			trans	-88.4	125.2	-172.7	-73.2	-16.8	0	0	0	112.1
401	D	33.8	Very low	30.8	Very low	170 Å²	170	141 Å²	141	91%	0.909	80%	0.796	S	S	*	*			trans	-175.5	157.2	133	-102.6	-27.2	0	0	0	107.8
402	G	28.6	Very low	30.8	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	80%	0.798	S	S	*	*			cis	160.2	98.3	-0.2	0	0	0	0	0	109.9
403	G	32.6	Very low	31.2	Very low	63 Å²	63	139.6 Å²	139.6	65%	0.649	79%	0.785	S	S	*	*			trans	112.1	116.6	-174.5	0	0	0	0	0	112.5
404	T	31.4	Very low	31.6	Very low	136 Å²	136	146.5 Å²	146.5	83%	0.834	80%	0.799	S	S	*	*				60.1	123.5	76.1	65.4	0	0	0	0	112.8
405	D	33.1	Very low	31.8	Very low	108 Å²	108	145.3 Å²	145.3	58%	0.578	79%	0.793	S	S	*	*			cis	-157.6	151.1	35.7	-142.2	8.4	0	0	0	114
406	R	32.7	Very low	32.4	Very low	196 Å²	196	141.7 Å²	141.7	74%	0.74	78%	0.78	S	S	*	*			trans	42	149.1	138.8	-75.7	170.1	-168.4	142.1	-6.9	122.2
407	R	34.5	Very low	32.7	Very low	213 Å²	213	135.3 Å²	135.3	80%	0.804	77%	0.769	S	S	*	*			cis	-165.8	148	25.6	-136.9	173.4	-169.9	178	3.4	113.1
408	S	32.4	Very low	33.2	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	77%	0.769	S	S	*	*			trans	58.8	148.3	147.9	-63.7	0	0	0	0	120.9
409	T	35	Very low	33.3	Very low	130 Å²	130	135.8 Å²	135.8	80%	0.798	76%	0.763	S	S	*	*			cis	-159.9	146.8	-10.8	15.6	0	0	0	0	106.7
410	G	32.1	Very low	33.3	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	76%	0.758	S	S	*	*				82.1	140.5	85	0	0	0	0	0	111.9
411	V	35	Very low	33.8	Very low	130 Å²	130	129.8 Å²	129.8	79%	0.788	75%	0.753	S	S	*	*			cis	-156.2	152.7	20.8	162.6	0	0	0	0	111.4
412	D	30.7	Very low	34	Very low	134 Å²	134	127.2 Å²	127.2	72%	0.717	75%	0.746	S	S	*	*			trans	-4	146.6	158.3	-63.1	-85.1	0	0	0	121.5
413	V	34.5	Very low	34.4	Very low	120 Å²	120	132.8 Å²	132.8	73%	0.727	76%	0.758	S	S	*	*			cis	115.1	123.6	24	154.4	0	0	0	0	111.9
414	K	35.5	Very low	34.4	Very low	203 Å²	203	135.8 Å²	135.8	88%	0.883	76%	0.759	S	S	*	*			trans	179	135.8	136.1	-99	155.7	-164.9	176.7	0	115.5
415	N	32.9	Very low	34.6	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	75%	0.754	S	S	*	*			trans	-88.1	178.4	163.5	-119	1	0	0	0	108.8
416	P	38.3	Very low	34.6	Very low	104 Å²	104	136.5 Å²	136.5	68%	0.675	76%	0.758	S	S	*	*				-161.8	167.9	50.7	46.8	-24.5	0	0	0	121.6
417	T	34.6	Very low	34.7	Very low	117 Å²	117	132.8 Å²	132.8	72%	0.718	76%	0.762	S	S	*	*			trans	56.9	158.7	138.2	54.3	0	0	0	0	125.9
418	E	36.2	Very low	34.6	Very low	173 Å²	173	127.1 Å²	127.1	81%	0.808	76%	0.761	S	S	*	*			trans	96.8	143	158.3	-63.7	-167.7	-150	0	0	119.4
419	N	32.1	Very low	34.6	Very low	133 Å²	133	128.2 Å²	128.2	71%	0.711	77%	0.769	S	S	*	*			cis	-168.3	149.3	-35.6	-132.7	-19.3	0	0	0	112.4
420	S	34.9	Very low	34.4	Very low	117 Å²	117	125.6 Å²	125.6	82%	0.818	77%	0.768	S	S	*	*			trans	60.1	162.8	162.5	69.8	0	0	0	0	118.6
421	A	38.7	Very low	34.4	Very low	89 Å²	89	126 Å²	126	74%	0.736	77%	0.772	S	S	*	*			cis	-153.2	161.9	12.7	0	0	0	0	0	113.3
422	P	37.6	Very low	34.2	Very low	117 Å²	117	128.8 Å²	128.8	76%	0.76	77%	0.774	S	S	*	*			trans	-112.8	167.9	172.3	40.7	-32.1	0	0	0	114.4
423	L	37.6	Very low	34.3	Very low	186 Å²	186	128.1 Å²	128.1	97%	0.974	77%	0.77	S	S	*	*			trans	-142.4	171.1	166.4	-83.3	-176.8	0	0	0	113.1
424	N	32.1	Very low	34.1	Very low	126 Å²	126	127.5 Å²	127.5	67%	0.674	77%	0.771	S	S	*	*			trans	-140	-178.2	-151.1	-171.7	62	0	0	0	113.8	N426	N424-N426 PolarHBondContact ND2-ND2 2.06Å
425	D	35.9	Very low	34.1	Very low	133 Å²	133	122.6 Å²	122.6	71%	0.711	76%	0.762	S	S	*	*			trans	110.9	120.4	162.1	-65.5	-31.6	0	0	0	115.3
426	N	32.6	Very low	33.9	Very low	126 Å²	126	120.4 Å²	120.4	67%	0.674	76%	0.759	S	S	*	*			cis	91.6	110	42.8	-80.3	-44	0	0	0	113.3	N424	N424-N426 PolarHBondContact ND2-ND2 2.06Å
427	S	34.6	Very low	33.4	Very low	118 Å²	118	121.1 Å²	121.1	83%	0.825	76%	0.761	S	S	*	*				173.6	142.1	125.9	-81.3	0	0	0	0	114.6
428	A	33	Very low	33	Very low	95 Å²	95	124.2 Å²	124.2	79%	0.785	77%	0.765	S	S	*	*			trans	26.4	146.5	140.6	0	0	0	0	0	122.2
429	S	32.1	Very low	32.7	Very low	121 Å²	121	124.4 Å²	124.4	85%	0.846	76%	0.763	S	S	*	*			cis	-177.8	175.6	-7.2	54.5	0	0	0	0	110.3
430	G	30.5	Very low	32.4	Very low	76 Å²	76	129.6 Å²	129.6	78%	0.784	77%	0.772	S	S	*	*			trans	125.4	46.9	140.1	0	0	0	0	0	123.4
431	G	32	Very low	32.4	Very low	77 Å²	77	131.8 Å²	131.8	79%	0.794	77%	0.769	S	S	*	*			trans	79.5	177	157.3	0	0	0	0	0	117.9
432	K	31.7	Very low	32.3	Very low	188 Å²	188	138.9 Å²	138.9	82%	0.817	78%	0.777	S	S	*	*			cis	-160.6	157.3	-4.6	-127.8	-178.6	168.5	-166.6	0	112.7
433	D	33.1	Very low	32	Very low	120 Å²	120	143 Å²	143	64%	0.642	78%	0.778	S	S	*	*			trans	63.8	102	151	-55.3	-27.9	0	0	0	123.3
434	S	30.4	Very low	32.1	Very low	106 Å²	106	140.2 Å²	140.2	74%	0.741	76%	0.762	S	S	*	*				98.3	139	115	78.6	0	0	0	0	123.5
435	S	34.9	Very low	32.1	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	77%	0.766	S	S	*	*			trans	53.3	131.1	156.4	63.4	0	0	0	0	119.8
436	S	29.4	Very low	32.2	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	76%	0.761	S	S	*	*			cis	76.5	103.7	26.3	96.2	0	0	0	0	117
437	V	26.9	Very low	32.2	Very low	120 Å²	120	141.5 Å²	141.5	73%	0.727	77%	0.768	S	S	*	*			trans	73.7	131.2	141.7	179.4	0	0	0	0	120.1
438	K	26.9	Very low	32.2	Very low	182 Å²	182	140.3 Å²	140.3	79%	0.791	76%	0.757	S	S	*	*			trans	76.3	101.6	159.1	-76.3	160.7	-163	165.3	0	121.1
439	K	28.7	Very low	32	Very low	177 Å²	177	145.5 Å²	145.5	77%	0.77	76%	0.762	S	S	*	*				56.3	99.3	102.3	-173.2	-175.8	-175.7	173.7	0	118.5
440	R	27.7	Very low	32.2	Very low	241 Å²	241	145.5 Å²	145.5	91%	0.909	76%	0.762	S	S	*	*			trans	-161.6	120.4	145.6	-105.2	149.1	175.6	-172.3	-1.8	109.7
441	H	33.7	Very low	32.1	Very low	164 Å²	164	149 Å²	149	76%	0.759	76%	0.763	S	S	*	*				68.2	117.5	72.1	-91.8	45.7	0	0	0	115.6
442	R	35.9	Very low	32.2	Very low	237 Å²	237	153.3 Å²	153.3	89%	0.894	77%	0.768	S	S	*	*			trans	-178.8	144.7	137.4	-97.7	175.1	-147.7	-159.8	9	109.1
443	R	33.1	Very low	32.2	Very low	205 Å²	205	149.4 Å²	149.4	77%	0.774	77%	0.771	S	S	*	*			cis	-168.4	135.3	-20.8	-139.5	-171.3	170.3	174.5	-6.2	110.7
444	I	38.5	Very low	32	Very low	127 Å²	127	152 Å²	152	65%	0.651	78%	0.784	S	S	*	*			trans	69.7	143.4	140.8	-85.2	178.9	0	0	0	118.1
445	K	31.9	Very low	32.1	Very low	172 Å²	172	150.6 Å²	150.6	75%	0.748	79%	0.787	S	S	*	*			cis	-155.5	153.9	4.6	-135.9	-176.6	179.6	-175	0	113.8
446	S	38.2	Very low	32	Very low	87 Å²	87	150.8 Å²	150.8	61%	0.608	79%	0.788	S	S	*	*			trans	28	145.1	140.4	62.8	0	0	0	0	121.8
447	N	32.9	Very low	32.6	Very low	152 Å²	152	152.6 Å²	152.6	81%	0.813	79%	0.79	S	S	*	*			cis	-150.6	-176.4	30.9	-132	9.6	0	0	0	111.9
448	P	33.9	Very low	33.7	Very low	93 Å²	93	150.3 Å²	150.3	60%	0.604	78%	0.779	S	S	*	*				-130.5	178.9	-123.2	37.9	-16.9	0	0	0	117.8
449	K	28.7	Very low	35.1	Very low	204 Å²	204	149.6 Å²	149.6	89%	0.887	78%	0.778	S	S	*	*			trans	84.2	103.8	164.8	-53.4	176.2	-179.7	179.3	0	119
450	S	36.3	Very low	36.9	Very low	121 Å²	121	142.6 Å²	142.6	85%	0.846	76%	0.756	S	S	*	*			trans	-169.3	160.8	136.3	55.5	0	0	0	0	111.2
451	N	29.8	Very low	39.5	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	73%	0.728	S	S	*	*			trans	-90.1	162.9	-175.8	-60.6	-21.2	0	0	0	113.3
452	N	32.9	Very low	42.1	Very low	167 Å²	167	128.9 Å²	128.9	89%	0.893	70%	0.7	S	S	*	*			trans	110.6	99.3	166.6	-62.2	-8.3	0	0	0	115.1
453	A	31.8	Very low	44.8	Very low	107 Å²	107	117.6 Å²	117.6	88%	0.884	66%	0.657	S	S	*	*			trans	-165.6	77.9	161.4	0	0	0	0	0	109.6
454	D	30.1	Very low	47.5	Very low	174 Å²	174	108.8 Å²	108.8	93%	0.93	63%	0.625	S	S	*	*			trans	-152.9	106.9	173	-160.8	1.8	0	0	0	107.9
455	G	32.3	Very low	50.1	Low	77 Å²	77	102.7 Å²	102.7	79%	0.794	59%	0.594	S	S	*	*			trans	163.8	33.1	-162.6	0	0	0	0	0	117.2
456	S	32.3	Very low	52.8	Low	104 Å²	104	97 Å²	97	73%	0.727	57%	0.571	S	S	*	*	S	Bend	trans	-154.3	116.7	172.3	54.6	0	0	0	0	109.5
457	D	41.5	Very low	55.1	Low	144 Å²	144	94.1 Å²	94.1	77%	0.77	55%	0.551	S	S	*	*	S	Bend	trans	150.6	-22.9	160	-81.4	-10	0	0	0	112.2	E459	D457-E459 PolarHBondContact O-N 2.61Å
458	S	50.5	Low	57.2	Low	71 Å²	71	94.7 Å²	94.7	50%	0.497	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-79.1	-2.9	-165.6	-155	0	0	0	0	117.2	G460	S458-G460 VanDerWaalsContact C-N 3.28Å; S458-G460 PolarHBondContact O-N 3.41Å
459	E	56.9	Low	59.5	Low	168 Å²	168	95.5 Å²	95.5	79%	0.785	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-82.5	-1.2	-173	-60.4	-165.3	148.3	0	0	113.9	D457	D457-E459 PolarHBondContact O-N 2.61Å
460	G	65.5	Low	62.2	Low	30 Å²	30	92.9 Å²	92.9	31%	0.309	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-84	-13.6	-177.5	0	0	0	0	0	116.4	S458 R482	S458-G460 VanDerWaalsContact C-N 3.28Å; S458-G460 PolarHBondContact O-N 3.41Å; G460-R482 PolarHBondContact O-NH1 2.91Å
461	Y	82.6	Confident	64.6	Low	79 Å²	79	92.7 Å²	92.7	31%	0.31	52%	0.52	S	S	.	.	S	Bend	trans	-112.2	-4.6	-162	-40.9	-46.2	0	0	0	115.3	E475 A476	Y461-E475 WeakPolarHBondContact O-CA 3.2Å; Y461-A476 PolarHBondContact O-N 2.7Å; Y461-A476 VanDerWaalsContact O-N 3.12Å
462	E	88.6	Confident	67.6	Low	37 Å²	37	86.9 Å²	86.9	17%	0.173	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	148.4	-178	64.9	165.6	-161.1	0	0	114.3	R327 W336 P378 F474	R327-E462 IonicContact NH1-OE2 3.69Å; R327-E462 PolarHBondContact NH1-OE2 3.4Å; W336-E462 HydrophobicContact CH2-CB 3.82Å; W336-E462 WeakPolarHBondContact CH2-OE2 3.39Å; W336-E462 HydrophobicContact CZ2-CB 3.9Å; W336-E462 VanDerWaalsContact CZ2-OE2 3.24Å; W336-E462 WeakPolarHBondContact CZ2-OE2 3.29Å; P378-E462 HydrophobicContact CB-CG 4.3Å; P378-E462 WeakPolarHBondContact CB-OE1 3.12Å; P378-E462 WeakPolarHBondContact CD-O 3.45Å; P378-E462 HydrophobicContact CG-CG 3.9Å; P378-E462 VanDerWaalsContact CG-OE1 3.31Å; P378-E462 WeakPolarHBondContact CG-OE1 3.43Å; E462-F474 CarbonylContact C-O 3.45Å; E462-F474 VanDerWaalsContact CA-O 3.29Å; E462-F474 WeakPolarHBondContact CA-O 3.38Å
463	F	91.7	Very high	70.3	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.4	166.7	70.3	-84.8	0	0	0	110.6	L324 V375 L465 F474 R482 W485 V486 I489	L324-F463 HydrophobicContact CD1-CE1 4.04Å; L324-F463 HydrophobicContact CD1-CZ 3.64Å; L324-F463 HydrophobicContact CD2-CE1 4.07Å; L324-F463 HydrophobicContact CD2-CZ 4.49Å; V375-F463 HydrophobicContact CG1-CD2 4.23Å; F463-L465 HydrophobicContact CD2-CD2 4.39Å; F463-L465 HydrophobicContact CE2-CD2 4.31Å; F463-L465 HydrophobicContact CE2-CG 4.47Å; F463-F474 HydrophobicContact CD1-CB 4.2Å; F463-F474 HydrophobicContact CE1-CB 3.78Å; F463-F474 HydrophobicContact CE2-CB 4.12Å; F463-F474 HydrophobicContact CE2-CD2 4.32Å; F463-F474 HydrophobicContact CZ-CB 3.76Å; F463-F474 HydrophobicContact CZ-CG 4.35Å; F463-F474 PolarHBondContact N-O 2.9Å; F463-F474 PolarHBondContact O-N 3.2Å; F463-F474 VanDerWaalsContact O-O 3.04Å; F463-R482 HydrophobicContact CB-CG 4.48Å; F463-R482 HydrophobicContact CD1-CG 4.11Å; F463-W485 HydrophobicContact CE1-CB 4.15Å; F463-W485 HydrophobicContact CZ-CB 4.01Å; F463-V486 HydrophobicContact CB-CG2 4.13Å; F463-V486 HydrophobicContact CD2-CG2 4.38Å; F463-V486 HydrophobicContact CG-CG2 4.18Å; F463-I489 HydrophobicContact CE2-CD1 3.8Å; F463-I489 HydrophobicContact CZ-CD1 4.26Å
464	Q	90.8	Very high	73.2	Confident	20 Å²	20	75.5 Å²	75.5	9%	0.093	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.3	-174.1	-57.4	179.1	-0.5	0	0	109.5	V375 K376 P378 I466 W472 H473	V375-Q464 CarbonylContact C-O 3.52Å; K376-Q464 HydrophobicContact CB-CB 4.38Å; K376-Q464 PolarHBondContact N-O 3.47Å; K376-Q464 PolarHBondContact O-N 3.07Å; P378-Q464 HydrophobicContact CG-CG 4.01Å; Q464-I466 HydrophobicContact CB-CG1 4.36Å; Q464-W472 WeakPolarHBondContact CA-O 3.36Å; Q464-H473 PolarHBondContact NE2-NE2 2.99Å
465	L	92.5	Very high	76.1	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.6	165.7	-59.4	-175.1	0	0	0	108.4	L350 I368 L370 T373 T374 V375 F463 Q471 W472 F474 I489	L350-L465 HydrophobicContact CD1-CD1 4.23Å; I368-L465 HydrophobicContact CD1-CD1 4.04Å; I368-L465 HydrophobicContact CG2-CD1 4.41Å; L370-L465 HydrophobicContact CD2-CD1 4.14Å; T373-L465 HydrophobicContact CG2-CB 3.8Å; T374-L465 CarbonylContact O-C 3.53Å; T374-L465 WeakPolarHBondContact O-CA 3.45Å; V375-L465 HydrophobicContact CB-CD2 4.36Å; V375-L465 HydrophobicContact CG1-CD2 4.15Å; V375-L465 HydrophobicContact CG2-CD2 3.88Å; F463-L465 HydrophobicContact CD2-CD2 4.39Å; F463-L465 HydrophobicContact CE2-CD2 4.31Å; F463-L465 HydrophobicContact CE2-CG 4.47Å; L465-Q471 CarbonylContact O-C 3.54Å; L465-Q471 VanDerWaalsContact O-CA 3.28Å; L465-Q471 WeakPolarHBondContact O-CA 3.4Å; L465-W472 HydrophobicContact CB-CB 4.4Å; L465-W472 HydrophobicContact CB-CE3 4.07Å; L465-W472 PolarHBondContact N-O 2.92Å; L465-W472 PolarHBondContact O-N 3.48Å; L465-F474 HydrophobicContact CD1-CD2 4.37Å; L465-F474 HydrophobicContact CD1-CE2 3.97Å; L465-F474 HydrophobicContact CG-CD2 4.41Å; L465-F474 HydrophobicContact CG-CE2 4.4Å; L465-I489 HydrophobicContact CD2-CD1 4.34Å; L465-I489 HydrophobicContact CD2-CG2 4.11Å
466	I	89.7	Confident	78.9	Confident	52 Å²	52	64.7 Å²	64.7	27%	0.267	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	112.8	-174.6	-56.7	174.8	0	0	0	109.3	T373 T374 K376 Q464 Q471	T373-I466 WeakPolarHBondContact CA-O 3.47Å; T374-I466 PolarHBondContact N-O 2.97Å; T374-I466 PolarHBondContact O-N 3.35Å; T374-I466 PolarHBondContact OG1-O 3.31Å; K376-I466 HydrophobicContact CB-CD1 4.06Å; K376-I466 HydrophobicContact CD-CD1 3.69Å; Q464-I466 HydrophobicContact CB-CG1 4.36Å; I466-Q471 HydrophobicContact CG1-CB 4.48Å
467	S	85.7	Confident	81.5	Confident	27 Å²	27	64.4 Å²	64.4	19%	0.189	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-177.4	166.5	-165.6	0	0	0	0	110.1	R372 T373 D469 R470	R372-S467 WeakPolarHBondContact O-CA 3.15Å; R372-S467 WeakPolarHBondContact O-CB 3.33Å; R372-S467 PolarHBondContact O-OG 2.92Å; T373-S467 WeakPolarHBondContact OG1-CB 3.48Å; S467-D469 VanDerWaalsContact C-N 3.35Å; S467-D469 PolarHBondContact O-N 3.2Å; S467-R470 PolarHBondContact N-O 2.75Å
468	M	76.8	Confident	83.5	Confident	163 Å²	163	58.2 Å²	58.2	80%	0.803	30%	0.298	S	S	*	.	S	Bend	trans	-65.8	-33.5	-175	-57.1	-169.4	-56.4	0	0	113.4
469	D	82.6	Confident	85.1	Confident	110 Å²	110	57.4 Å²	57.4	59%	0.588	29%	0.291	S	S	*	.	S	Bend	trans	-111.8	-13.8	-177.1	77.8	-33.3	0	0	0	114	S467	S467-D469 VanDerWaalsContact C-N 3.35Å; S467-D469 PolarHBondContact O-N 3.2Å
470	R	84.9	Confident	86.5	Confident	150 Å²	150	55.6 Å²	55.6	57%	0.566	29%	0.287	S	S	*	.			trans	-141.4	145.2	-167.2	-76.9	167.2	-139.4	-145.8	-4	112.9	S467 W472	S467-R470 PolarHBondContact N-O 2.75Å; R470-W472 HydrophobicContact CB-CD2 4.41Å; R470-W472 HydrophobicContact CB-CE3 4.22Å; R470-W472 HydrophobicContact CB-CH2 3.38Å; R470-W472 HydrophobicContact CB-CZ2 3.58Å; R470-W472 HydrophobicContact CB-CZ3 3.72Å; R470-W472 HydrophobicContact CG-CH2 4.28Å; R470-W472 HydrophobicContact CG-CZ2 4.13Å
471	Q	88	Confident	87.7	Confident	116 Å²	116	55.9 Å²	55.9	54%	0.542	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.6	169.1	53.7	178.5	-18.4	0	0	110.7	L465 I466 H473	L465-Q471 CarbonylContact O-C 3.54Å; L465-Q471 VanDerWaalsContact O-CA 3.28Å; L465-Q471 WeakPolarHBondContact O-CA 3.4Å; I466-Q471 HydrophobicContact CG1-CB 4.48Å; Q471-H473 PolarHBondContact OE1-CE1 3.04Å
472	W	91.1	Very high	88.1	Confident	29 Å²	29	53.9 Å²	53.9	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.3	177	-54.7	-104	0	0	0	108.8	I368 T373 Q464 L465 R470 F474	I368-W472 HydrophobicContact CD1-CB 4.02Å; I368-W472 HydrophobicContact CD1-CD2 3.58Å; I368-W472 HydrophobicContact CD1-CE3 4.18Å; I368-W472 HydrophobicContact CD1-CG 3.51Å; I368-W472 HydrophobicContact CD1-CZ2 4.4Å; I368-W472 HydrophobicContact CG1-CD2 4.12Å; I368-W472 HydrophobicContact CG1-CG 4.41Å; I368-W472 HydrophobicContact CG1-CZ2 4Å; I368-W472 HydrophobicContact CG2-CD2 4.4Å; I368-W472 HydrophobicContact CG2-CE3 4.11Å; I368-W472 HydrophobicContact CG2-CH2 3.82Å; I368-W472 HydrophobicContact CG2-CZ2 4.11Å; I368-W472 HydrophobicContact CG2-CZ3 3.82Å; T373-W472 HydrophobicContact CG2-CZ3 4.34Å; Q464-W472 WeakPolarHBondContact CA-O 3.36Å; L465-W472 HydrophobicContact CB-CB 4.4Å; L465-W472 HydrophobicContact CB-CE3 4.07Å; L465-W472 PolarHBondContact N-O 2.92Å; L465-W472 PolarHBondContact O-N 3.48Å; R470-W472 HydrophobicContact CB-CD2 4.41Å; R470-W472 HydrophobicContact CB-CE3 4.22Å; R470-W472 HydrophobicContact CB-CH2 3.38Å; R470-W472 HydrophobicContact CB-CZ2 3.58Å; R470-W472 HydrophobicContact CB-CZ3 3.72Å; R470-W472 HydrophobicContact CG-CH2 4.28Å; R470-W472 HydrophobicContact CG-CZ2 4.13Å; W472-F474 HydrophobicContact CB-CD2 4.31Å; W472-F474 HydrophobicContact CB-CE2 3.68Å; W472-F474 HydrophobicContact CB-CZ 4.39Å
473	H	90.4	Very high	88.1	Confident	35 Å²	35	55.4 Å²	55.4	16%	0.162	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.2	176	-61.6	20.5	0	0	0	109.8	R327 W336 Q464 Q471	R327-H473 HydrophobicContact CB-CB 3.84Å; R327-H473 PolarHBondContact N-O 3.31Å; R327-H473 VanDerWaalsContact N-O 3.11Å; W336-H473 HydrophobicContact CH2-CB 4.28Å; W336-H473 HydrophobicContact CZ3-CB 4.31Å; Q464-H473 PolarHBondContact NE2-NE2 2.99Å; Q471-H473 PolarHBondContact OE1-CE1 3.04Å
474	F	92.8	Very high	88.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.3	177.3	-68.3	-81.4	0	0	0	110.5	L324 Y325 K326 V342 L350 Y352 I368 E462 F463 L465 W472	L324-F474 HydrophobicContact CB-CB 4.47Å; L324-F474 HydrophobicContact CB-CD1 3.85Å; L324-F474 HydrophobicContact CD1-CB 4.22Å; L324-F474 HydrophobicContact CD1-CD1 4.04Å; L324-F474 HydrophobicContact CD1-CG 4.23Å; Y325-F474 CarbonylContact O-C 3.59Å; Y325-F474 VanDerWaalsContact O-CA 3.31Å; Y325-F474 WeakPolarHBondContact O-CA 3.28Å; K326-F474 HydrophobicContact CB-CD1 4.1Å; K326-F474 HydrophobicContact CB-CE1 4.01Å; K326-F474 HydrophobicContact CD-CE1 4.04Å; K326-F474 HydrophobicContact CD-CZ 4.26Å; K326-F474 HydrophobicContact CG-CD1 4.13Å; K326-F474 HydrophobicContact CG-CE1 3.84Å; K326-F474 HydrophobicContact CG-CZ 4.34Å; V342-F474 HydrophobicContact CG2-CE1 4.39Å; L350-F474 HydrophobicContact CD2-CZ 4.36Å; Y352-F474 HydrophobicContact CD1-CZ 4.4Å; I368-F474 HydrophobicContact CD1-CE2 4.07Å; I368-F474 HydrophobicContact CD1-CZ 4.17Å; E462-F474 CarbonylContact C-O 3.45Å; E462-F474 VanDerWaalsContact CA-O 3.29Å; E462-F474 WeakPolarHBondContact CA-O 3.38Å; F463-F474 HydrophobicContact CD1-CB 4.2Å; F463-F474 HydrophobicContact CE1-CB 3.78Å; F463-F474 HydrophobicContact CE2-CB 4.12Å; F463-F474 HydrophobicContact CE2-CD2 4.32Å; F463-F474 HydrophobicContact CZ-CB 3.76Å; F463-F474 HydrophobicContact CZ-CG 4.35Å; F463-F474 PolarHBondContact N-O 2.9Å; F463-F474 PolarHBondContact O-N 3.2Å; F463-F474 VanDerWaalsContact O-O 3.04Å; L465-F474 HydrophobicContact CD1-CD2 4.37Å; L465-F474 HydrophobicContact CD1-CE2 3.97Å; L465-F474 HydrophobicContact CG-CD2 4.41Å; L465-F474 HydrophobicContact CG-CE2 4.4Å; W472-F474 HydrophobicContact CB-CD2 4.31Å; W472-F474 HydrophobicContact CB-CE2 3.68Å; W472-F474 HydrophobicContact CB-CZ 4.39Å
475	E	91.2	Very high	88.2	Confident	21 Å²	21	58.7 Å²	58.7	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.5	176.6	167.6	-178.4	-118	0	0	108	Y325 W336 Y461	Y325-E475 PolarHBondContact N-O 3.45Å; Y325-E475 PolarHBondContact O-N 3.31Å; W336-E475 HydrophobicContact CD2-CB 4.18Å; W336-E475 HydrophobicContact CE3-CB 3.92Å; W336-E475 VanDerWaalsContact CG-OE2 3.29Å; W336-E475 HydrophobicContact CH2-CB 3.67Å; W336-E475 HydrophobicContact CZ2-CB 3.91Å; W336-E475 HydrophobicContact CZ3-CB 3.64Å; W336-E475 PolarHBondContact NE1-OE1 2.68Å; W336-E475 PolarHBondContact NE1-OE2 2.97Å; Y461-E475 WeakPolarHBondContact O-CA 3.2Å
476	A	91.2	Very high	88.3	Confident	3 Å²	3	59 Å²	59	3%	0.025	30%	0.299	C	S	.	.			trans	-92.5	171.7	179	0	0	0	0	0	111.4	L324 Y461 G478 E481 R482	L324-A476 HydrophobicContact CD2-CB 3.86Å; Y461-A476 PolarHBondContact O-N 2.7Å; Y461-A476 VanDerWaalsContact O-N 3.12Å; A476-G478 VanDerWaalsContact C-N 3.26Å; A476-G478 PolarHBondContact O-N 2.93Å; A476-E481 HydrophobicContact CB-CB 4.12Å; A476-E481 HydrophobicContact CB-CG 4.47Å; A476-R482 HydrophobicContact CB-CB 3.96Å
477	T	85.6	Confident	88.4	Confident	98 Å²	98	61.7 Å²	61.7	60%	0.601	31%	0.311	S	S	*	.	S	Bend	trans	-76.7	-11.8	179.3	61.9	0	0	0	0	114.2	Y325 E481	Y325-T477 HydrophobicContact CE2-CG2 4.27Å; T477-E481 WeakPolarHBondContact CB-OE2 3.25Å; T477-E481 PolarHBondContact N-OE2 3.44Å; T477-E481 PolarHBondContact OG1-OE2 2.65Å
478	G	85.3	Confident	88.6	Confident	13 Å²	13	62.4 Å²	62.4	13%	0.134	31%	0.311	C	S	.	.	S	Bend	trans	-170.4	175	175.6	0	0	0	0	0	111.7	A476 E481 R482	A476-G478 VanDerWaalsContact C-N 3.26Å; A476-G478 PolarHBondContact O-N 2.93Å; G478-E481 PolarHBondContact O-N 3.48Å; G478-R482 PolarHBondContact O-N 3.44Å
479	P	83.8	Confident	89.4	Confident	55 Å²	55	54.6 Å²	54.6	36%	0.357	27%	0.273	S	S	.	.	H	α-helix	trans	-68.4	-35.8	-176.8	29.2	-33.3	0	0	0	112.1	R482 D483	P479-R482 WeakPolarHBondContact O-CB 3.27Å; P479-R482 PolarHBondContact O-N 3.24Å; P479-D483 PolarHBondContact O-N 2.77Å
480	D	85.7	Confident	89.8	Confident	129 Å²	129	52 Å²	52	69%	0.69	26%	0.258	S	S	*	.	H	α-helix	trans	-66.7	-41.1	179.1	-44.2	-66.9	0	0	0	111	D483 E484	D480-D483 PolarHBondContact O-N 3.06Å; D480-E484 PolarHBondContact O-N 3.08Å
481	E	89.5	Confident	90	Very high	37 Å²	37	52.9 Å²	52.9	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-39.6	175.5	-159.1	-152	166.7	0	0	111.2	A476 T477 G478 D483 E484 W485	A476-E481 HydrophobicContact CB-CB 4.12Å; A476-E481 HydrophobicContact CB-CG 4.47Å; T477-E481 WeakPolarHBondContact CB-OE2 3.25Å; T477-E481 PolarHBondContact N-OE2 3.44Å; T477-E481 PolarHBondContact OG1-OE2 2.65Å; G478-E481 PolarHBondContact O-N 3.48Å; E481-D483 VanDerWaalsContact C-N 3.33Å; E481-D483 PolarHBondContact O-N 3.39Å; E481-E484 PolarHBondContact O-N 3.04Å; E481-W485 WeakPolarHBondContact O-CB 3.33Å; E481-W485 PolarHBondContact O-N 3.23Å; E481-W485 PolarHBondContact OE1-NE1 2.99Å
482	R	91.2	Very high	90	Very high	36 Å²	36	47.4 Å²	47.4	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-54.9	-50.2	172.4	179.7	-156.5	71.9	-167.4	0.4	110.3	G460 F463 A476 G478 P479 W485 V486	G460-R482 PolarHBondContact O-NH1 2.91Å; F463-R482 HydrophobicContact CB-CG 4.48Å; F463-R482 HydrophobicContact CD1-CG 4.11Å; A476-R482 HydrophobicContact CB-CB 3.96Å; G478-R482 PolarHBondContact O-N 3.44Å; P479-R482 WeakPolarHBondContact O-CB 3.27Å; P479-R482 PolarHBondContact O-N 3.24Å; R482-W485 PolarHBondContact O-N 3.14Å; R482-V486 WeakPolarHBondContact O-CG2 3.44Å; R482-V486 PolarHBondContact O-N 3.09Å
483	D	89.2	Confident	89.9	Confident	70 Å²	70	47.3 Å²	47.3	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-73	-33.8	-175	-71.3	-13.3	0	0	0	112.6	P479 D480 E481 M487	P479-D483 PolarHBondContact O-N 2.77Å; D480-D483 PolarHBondContact O-N 3.06Å; E481-D483 VanDerWaalsContact C-N 3.33Å; E481-D483 PolarHBondContact O-N 3.39Å; D483-M487 WeakPolarHBondContact O-CB 3.23Å; D483-M487 PolarHBondContact O-N 3.2Å
484	E	91	Very high	89.6	Confident	88 Å²	88	49.4 Å²	49.4	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-46.2	165.7	-77.7	-158.9	101.9	0	0	112.2	K320 D480 E481 M487 H488	K320-E484 HydrophobicContact CD-CB 4.47Å; K320-E484 IonicContact NZ-OE1 2.97Å; K320-E484 PolarHBondContact NZ-OE1 3.44Å; K320-E484 IonicContact NZ-OE2 2.76Å; K320-E484 PolarHBondContact NZ-OE2 3.16Å; D480-E484 PolarHBondContact O-N 3.08Å; E481-E484 PolarHBondContact O-N 3.04Å; E484-M487 PolarHBondContact O-N 2.91Å; E484-H488 PolarHBondContact O-N 3.27Å; E484-H488 PolarHBondContact O-ND1 2.97Å
485	W	94.4	Very high	89	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-47.1	179.5	-85.7	111.2	0	0	0	111.6	K320 L324 V342 L344 F463 E481 R482 H488 I489	K320-W485 HydrophobicContact CB-CE3 4.35Å; K320-W485 HydrophobicContact CB-CH2 4.36Å; K320-W485 HydrophobicContact CB-CZ3 4.02Å; K320-W485 HydrophobicContact CD-CD2 3.73Å; K320-W485 HydrophobicContact CD-CE3 3.82Å; K320-W485 HydrophobicContact CD-CG 4.13Å; K320-W485 HydrophobicContact CD-CZ3 4.24Å; K320-W485 HydrophobicContact CG-CD2 4.26Å; K320-W485 HydrophobicContact CG-CE3 4.11Å; K320-W485 HydrophobicContact CG-CH2 4.05Å; K320-W485 HydrophobicContact CG-CZ2 4.2Å; K320-W485 HydrophobicContact CG-CZ3 4Å; L324-W485 HydrophobicContact CD1-CD2 4.03Å; L324-W485 HydrophobicContact CD1-CE3 4.41Å; L324-W485 HydrophobicContact CD1-CG 4.31Å; L324-W485 HydrophobicContact CD1-CZ2 4.4Å; L324-W485 HydrophobicContact CD2-CG 4.27Å; L324-W485 HydrophobicContact CG-CZ2 4.39Å; V342-W485 HydrophobicContact CB-CH2 3.96Å; V342-W485 HydrophobicContact CB-CZ2 4.39Å; V342-W485 HydrophobicContact CG1-CH2 3.84Å; V342-W485 HydrophobicContact CG1-CZ3 3.97Å; L344-W485 HydrophobicContact CB-CZ3 4.38Å; F463-W485 HydrophobicContact CE1-CB 4.15Å; F463-W485 HydrophobicContact CZ-CB 4.01Å; E481-W485 WeakPolarHBondContact O-CB 3.33Å; E481-W485 PolarHBondContact O-N 3.23Å; E481-W485 PolarHBondContact OE1-NE1 2.99Å; R482-W485 PolarHBondContact O-N 3.14Å; W485-H488 PolarHBondContact O-N 3.13Å; W485-I489 HydrophobicContact CE3-CD1 4.48Å; W485-I489 WeakPolarHBondContact O-CB 3.49Å; W485-I489 WeakPolarHBondContact O-CD1 3.4Å; W485-I489 WeakPolarHBondContact O-CG1 3.45Å; W485-I489 PolarHBondContact O-N 3.2Å
486	V	93.2	Very high	88.5	Confident	8 Å²	8	54.9 Å²	54.9	5%	0.048	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-51.2	176	172.6	0	0	0	0	110.4	V375 I377 F463 R482 H488 I489 E490	V375-V486 HydrophobicContact CG1-CB 4.47Å; V375-V486 HydrophobicContact CG1-CG1 4.05Å; V375-V486 HydrophobicContact CG1-CG2 3.98Å; I377-V486 HydrophobicContact CD1-CG1 4.38Å; I377-V486 HydrophobicContact CD1-CG2 4.15Å; I377-V486 HydrophobicContact CG1-CG2 4.15Å; F463-V486 HydrophobicContact CB-CG2 4.13Å; F463-V486 HydrophobicContact CD2-CG2 4.38Å; F463-V486 HydrophobicContact CG-CG2 4.18Å; R482-V486 WeakPolarHBondContact O-CG2 3.44Å; R482-V486 PolarHBondContact O-N 3.09Å; V486-H488 VanDerWaalsContact C-N 3.34Å; V486-H488 PolarHBondContact O-N 3.19Å; V486-I489 PolarHBondContact O-N 3.43Å; V486-I489 VanDerWaalsContact O-N 3.16Å; V486-E490 HydrophobicContact CG1-CG 4.18Å; V486-E490 WeakPolarHBondContact O-CB 3.35Å; V486-E490 WeakPolarHBondContact O-CG 3.48Å; V486-E490 PolarHBondContact O-N 3.06Å
487	M	92.1	Very high	87.9	Confident	107 Å²	107	59 Å²	59	53%	0.527	29%	0.294	S	S	.	.	H	α-helix	trans	-56.6	-43.1	179.8	179	-175.7	66.6	0	0	112.8	D483 E484 R491	D483-M487 WeakPolarHBondContact O-CB 3.23Å; D483-M487 PolarHBondContact O-N 3.2Å; E484-M487 PolarHBondContact O-N 2.91Å; M487-R491 VanDerWaalsContact O-CB 3.26Å; M487-R491 WeakPolarHBondContact O-CB 3.45Å; M487-R491 PolarHBondContact O-N 3.37Å
488	H	91.4	Very high	87.5	Confident	42 Å²	42	59.7 Å²	59.7	19%	0.194	29%	0.291	C	S	.	.	H	α-helix	trans	-70.6	-38.5	179.5	-74.1	75	0	0	0	111.9	K320 L344 E484 W485 V486 R491 A492	K320-H488 HydrophobicContact CB-CB 4.21Å; K320-H488 HydrophobicContact CD-CB 4.2Å; L344-H488 HydrophobicContact CD2-CB 3.69Å; L344-H488 WeakPolarHBondContact CD2-O 3.29Å; E484-H488 PolarHBondContact O-N 3.27Å; E484-H488 PolarHBondContact O-ND1 2.97Å; W485-H488 PolarHBondContact O-N 3.13Å; V486-H488 VanDerWaalsContact C-N 3.34Å; V486-H488 PolarHBondContact O-N 3.19Å; H488-R491 PolarHBondContact O-N 3.46Å; H488-A492 WeakPolarHBondContact O-CB 3.06Å; H488-A492 PolarHBondContact O-N 2.96Å
489	I	93.4	Very high	86.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-46.5	177.6	-67.2	166.9	0	0	0	110.6	L344 L350 L370 V375 F463 L465 W485 V486 R491 A492 I493	L344-I489 HydrophobicContact CD1-CG1 4.35Å; L344-I489 HydrophobicContact CD2-CG1 4.14Å; L350-I489 HydrophobicContact CD1-CD1 3.57Å; L350-I489 HydrophobicContact CD1-CG1 3.92Å; L370-I489 HydrophobicContact CD1-CG2 3.95Å; L370-I489 HydrophobicContact CD2-CG2 4.1Å; V375-I489 HydrophobicContact CG2-CB 4.25Å; V375-I489 HydrophobicContact CG2-CG2 3.46Å; V375-I489 VanDerWaalsContact CG2-CG2 3.46Å; F463-I489 HydrophobicContact CE2-CD1 3.8Å; F463-I489 HydrophobicContact CZ-CD1 4.26Å; L465-I489 HydrophobicContact CD2-CD1 4.34Å; L465-I489 HydrophobicContact CD2-CG2 4.11Å; W485-I489 HydrophobicContact CE3-CD1 4.48Å; W485-I489 WeakPolarHBondContact O-CB 3.49Å; W485-I489 WeakPolarHBondContact O-CD1 3.4Å; W485-I489 WeakPolarHBondContact O-CG1 3.45Å; W485-I489 PolarHBondContact O-N 3.2Å; V486-I489 PolarHBondContact O-N 3.43Å; V486-I489 VanDerWaalsContact O-N 3.16Å; I489-R491 PolarHBondContact O-N 3.27Å; I489-A492 PolarHBondContact O-N 3.47Å; I489-I493 HydrophobicContact CG2-CD1 4.01Å; I489-I493 VanDerWaalsContact O-CG1 3.31Å; I489-I493 WeakPolarHBondContact O-CG1 3.44Å; I489-I493 PolarHBondContact O-N 3.41Å
490	E	90.6	Very high	86	Confident	56 Å²	56	62.9 Å²	62.9	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-45.2	174.4	-71.8	-178.6	157.8	0	0	111.4	V375 V486 A492 I493 M494	V375-E490 HydrophobicContact CG2-CG 4.18Å; V486-E490 HydrophobicContact CG1-CG 4.18Å; V486-E490 WeakPolarHBondContact O-CB 3.35Å; V486-E490 WeakPolarHBondContact O-CG 3.48Å; V486-E490 PolarHBondContact O-N 3.06Å; E490-A492 PolarHBondContact O-N 2.94Å; E490-I493 PolarHBondContact O-N 2.84Å; E490-M494 WeakPolarHBondContact O-CG 3.39Å; E490-M494 PolarHBondContact O-N 3.32Å
491	R	89.4	Confident	84.6	Confident	167 Å²	167	60.4 Å²	60.4	63%	0.63	29%	0.286	S	S	*	.	H	α-helix	trans	-58.7	-45.5	175.7	-173.7	-177.3	-176.3	94.4	2.4	112.2	M487 H488 I489 I493 M494 T495	M487-R491 VanDerWaalsContact O-CB 3.26Å; M487-R491 WeakPolarHBondContact O-CB 3.45Å; M487-R491 PolarHBondContact O-N 3.37Å; H488-R491 PolarHBondContact O-N 3.46Å; I489-R491 PolarHBondContact O-N 3.27Å; R491-I493 PolarHBondContact O-N 3.22Å; R491-M494 PolarHBondContact O-N 2.91Å; R491-T495 WeakPolarHBondContact O-CB 3.39Å; R491-T495 PolarHBondContact O-N 3.26Å; R491-T495 PolarHBondContact O-OG1 3Å
492	A	87.7	Confident	82.7	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-43.4	178.5	0	0	0	0	0	111.7	L319 L344 A348 H488 I489 E490 T495 R496	L319-A492 HydrophobicContact CD1-CB 4.29Å; L344-A492 HydrophobicContact CD1-CB 4.09Å; L344-A492 HydrophobicContact CD2-CB 4.33Å; L344-A492 HydrophobicContact CG-CB 4.46Å; A348-A492 HydrophobicContact CB-CB 4.16Å; A348-A492 WeakPolarHBondContact CB-O 3.23Å; H488-A492 WeakPolarHBondContact O-CB 3.06Å; H488-A492 PolarHBondContact O-N 2.96Å; I489-A492 PolarHBondContact O-N 3.47Å; E490-A492 PolarHBondContact O-N 2.94Å; A492-T495 PolarHBondContact O-N 2.83Å; A492-R496 WeakPolarHBondContact O-CB 3.47Å; A492-R496 PolarHBondContact O-N 3.37Å
493	I	88.7	Confident	80.9	Confident	28 Å²	28	61.9 Å²	61.9	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-50.5	174.2	-65.8	162.2	0	0	0	110.5	L370 T373 V375 I489 E490 R491 T495 R496 L497	L370-I493 HydrophobicContact CB-CD1 4.32Å; L370-I493 HydrophobicContact CB-CG1 3.75Å; T373-I493 WeakPolarHBondContact O-CD1 3.33Å; V375-I493 HydrophobicContact CG2-CD1 4.23Å; I489-I493 HydrophobicContact CG2-CD1 4.01Å; I489-I493 VanDerWaalsContact O-CG1 3.31Å; I489-I493 WeakPolarHBondContact O-CG1 3.44Å; I489-I493 PolarHBondContact O-N 3.41Å; E490-I493 PolarHBondContact O-N 2.84Å; R491-I493 PolarHBondContact O-N 3.22Å; I493-T495 PolarHBondContact O-N 2.62Å; I493-R496 PolarHBondContact O-N 2.8Å; I493-L497 HydrophobicContact CG2-CD1 4Å; I493-L497 WeakPolarHBondContact O-CG 3.25Å; I493-L497 PolarHBondContact O-N 2.8Å
494	M	84	Confident	78.9	Confident	79 Å²	79	63.4 Å²	63.4	39%	0.389	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-46.2	-179.7	-68.9	177.3	80.2	0	0	112.4	E490 R491 R496 L497 Q498	E490-M494 WeakPolarHBondContact O-CG 3.39Å; E490-M494 PolarHBondContact O-N 3.32Å; R491-M494 PolarHBondContact O-N 2.91Å; M494-R496 VanDerWaalsContact C-N 3.33Å; M494-R496 PolarHBondContact O-N 2.6Å; M494-L497 PolarHBondContact O-N 3.46Å; M494-Q498 WeakPolarHBondContact O-CG 3.42Å; M494-Q498 PolarHBondContact O-N 3.2Å; M494-Q498 VanDerWaalsContact O-N 3.08Å
495	T	80.4	Confident	76.5	Confident	52 Å²	52	66.8 Å²	66.8	32%	0.319	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-39.7	176.7	-64.7	0	0	0	0	111.5	R491 A492 I493 L497 Q498 L499	R491-T495 WeakPolarHBondContact O-CB 3.39Å; R491-T495 PolarHBondContact O-N 3.26Å; R491-T495 PolarHBondContact O-OG1 3Å; A492-T495 PolarHBondContact O-N 2.83Å; I493-T495 PolarHBondContact O-N 2.62Å; T495-L497 PolarHBondContact O-N 2.94Å; T495-Q498 PolarHBondContact O-N 2.89Å; T495-L499 HydrophobicContact CG2-CD1 3.98Å; T495-L499 HydrophobicContact CG2-CG 4.33Å; T495-L499 WeakPolarHBondContact O-CB 3.23Å; T495-L499 VanDerWaalsContact O-CG 3.3Å; T495-L499 WeakPolarHBondContact O-CG 3.48Å; T495-L499 PolarHBondContact O-N 3.19Å
496	R	80.1	Confident	74.1	Confident	84 Å²	84	71.3 Å²	71.3	32%	0.317	35%	0.346	S	S	.	.	H	α-helix	trans	-67.9	-36.3	178.7	-167.2	62.9	172.6	127.3	-1.2	113	D347 A348 A492 I493 M494 N500	D347-R496 PolarHBondContact O-NE 2.96Å; A348-R496 HydrophobicContact CB-CB 3.61Å; A348-R496 HydrophobicContact CB-CG 3.94Å; A492-R496 WeakPolarHBondContact O-CB 3.47Å; A492-R496 PolarHBondContact O-N 3.37Å; I493-R496 PolarHBondContact O-N 2.8Å; M494-R496 VanDerWaalsContact C-N 3.33Å; M494-R496 PolarHBondContact O-N 2.6Å; R496-N500 PolarHBondContact NH1-OD1 3.24Å; R496-N500 VanDerWaalsContact O-CG 3.25Å; R496-N500 PolarHBondContact O-N 3.19Å; R496-N500 VanDerWaalsContact O-N 3.11Å; R496-N500 PolarHBondContact O-ND2 3.09Å
497	L	79.5	Confident	71.8	Confident	89 Å²	89	80.2 Å²	80.2	47%	0.466	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-48.9	173.3	-68.4	167.8	0	0	0	111.1	I493 M494 T495 L499 N500 E501	I493-L497 HydrophobicContact CG2-CD1 4Å; I493-L497 WeakPolarHBondContact O-CG 3.25Å; I493-L497 PolarHBondContact O-N 2.8Å; M494-L497 PolarHBondContact O-N 3.46Å; T495-L497 PolarHBondContact O-N 2.94Å; L497-L499 VanDerWaalsContact C-N 3.34Å; L497-L499 PolarHBondContact O-N 2.88Å; L497-N500 WeakPolarHBondContact O-CB 3.46Å; L497-N500 PolarHBondContact O-N 2.95Å; L497-N500 VanDerWaalsContact O-N 3.11Å; L497-E501 PolarHBondContact O-N 3.25Å; L497-E501 VanDerWaalsContact O-N 3.15Å
498	Q	76.7	Confident	69.3	Low	112 Å²	112	77.7 Å²	77.7	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-37.5	176.9	-69.5	170.4	-16.2	0	0	113.1	M494 T495 N500 E501 S502	M494-Q498 WeakPolarHBondContact O-CG 3.42Å; M494-Q498 PolarHBondContact O-N 3.2Å; M494-Q498 VanDerWaalsContact O-N 3.08Å; T495-Q498 PolarHBondContact O-N 2.89Å; Q498-N500 VanDerWaalsContact C-N 3.33Å; Q498-E501 PolarHBondContact O-N 2.67Å; Q498-S502 PolarHBondContact O-N 2.85Å; Q498-S502 PolarHBondContact O-OG 3.39Å
499	L	72.5	Confident	67.2	Low	78 Å²	78	81.1 Å²	81.1	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-32.2	174.8	-76.8	175.9	0	0	0	112.6	T495 L497 S502 S503	T495-L499 HydrophobicContact CG2-CD1 3.98Å; T495-L499 HydrophobicContact CG2-CG 4.33Å; T495-L499 WeakPolarHBondContact O-CB 3.23Å; T495-L499 VanDerWaalsContact O-CG 3.3Å; T495-L499 WeakPolarHBondContact O-CG 3.48Å; T495-L499 PolarHBondContact O-N 3.19Å; L497-L499 VanDerWaalsContact C-N 3.34Å; L497-L499 PolarHBondContact O-N 2.88Å; L499-S502 WeakPolarHBondContact CA-OG 3.45Å; L499-S502 PolarHBondContact O-OG 2.73Å; L499-S503 WeakPolarHBondContact O-CB 3.45Å; L499-S503 PolarHBondContact O-N 2.94Å; L499-S503 PolarHBondContact O-OG 3.44Å
500	N	65.6	Low	64.7	Low	58 Å²	58	84.9 Å²	84.9	31%	0.31	42%	0.424	S	S	.	.	H	α-helix	trans	-73.1	-36.2	176.2	-71.9	-16.3	0	0	0	112.3	R496 L497 Q498 K504	R496-N500 PolarHBondContact NH1-OD1 3.24Å; R496-N500 VanDerWaalsContact O-CG 3.25Å; R496-N500 PolarHBondContact O-N 3.19Å; R496-N500 VanDerWaalsContact O-N 3.11Å; R496-N500 PolarHBondContact O-ND2 3.09Å; L497-N500 WeakPolarHBondContact O-CB 3.46Å; L497-N500 PolarHBondContact O-N 2.95Å; L497-N500 VanDerWaalsContact O-N 3.11Å; Q498-N500 VanDerWaalsContact C-N 3.33Å; N500-K504 WeakPolarHBondContact O-CG 3.38Å; N500-K504 PolarHBondContact O-N 3.02Å
501	E	56.3	Low	62.5	Low	76 Å²	76	86.4 Å²	86.4	36%	0.355	45%	0.447	S	S	.	.	H	α-helix	trans	-65.7	-51.6	173.4	-67.7	177	146.9	0	0	111.5	L497 Q498 K504 R505 L620	L497-E501 PolarHBondContact O-N 3.25Å; L497-E501 VanDerWaalsContact O-N 3.15Å; Q498-E501 PolarHBondContact O-N 2.67Å; E501-K504 PolarHBondContact O-N 3.41Å; E501-R505 PolarHBondContact O-N 3.03Å; E501-L620 HydrophobicContact CG-CD1 4.47Å
502	S	50.3	Low	60.4	Low	52 Å²	52	84 Å²	84	36%	0.364	45%	0.45	S	S	.	.	H	α-helix	trans	-65.5	-41.3	-179.5	50.7	0	0	0	0	112.9	Q498 L499 K504 R505 T506	Q498-S502 PolarHBondContact O-N 2.85Å; Q498-S502 PolarHBondContact O-OG 3.39Å; L499-S502 WeakPolarHBondContact CA-OG 3.45Å; L499-S502 PolarHBondContact O-OG 2.73Å; S502-K504 PolarHBondContact O-N 3.4Å; S502-R505 PolarHBondContact O-N 3.4Å; S502-T506 PolarHBondContact O-N 2.88Å; S502-T506 PolarHBondContact O-OG1 3.38Å
503	S	51.9	Low	57.6	Low	52 Å²	52	87 Å²	87	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-27.6	175.4	-64.1	0	0	0	0	113.3	L499 R507	L499-S503 WeakPolarHBondContact O-CB 3.45Å; L499-S503 PolarHBondContact O-N 2.94Å; L499-S503 PolarHBondContact O-OG 3.44Å; S503-R507 WeakPolarHBondContact O-CD 3.1Å; S503-R507 VanDerWaalsContact O-CG 3.24Å; S503-R507 WeakPolarHBondContact O-CG 3.33Å
504	K	48	Very low	54.8	Low	102 Å²	102	90.8 Å²	90.8	44%	0.443	51%	0.509	S	S	.	.	H	α-helix	trans	-81	-47.2	174.5	-75.1	-178.9	169.2	-172.2	0	111.5	N500 E501 S502 T506 R507 A508 H619 L620	N500-K504 WeakPolarHBondContact O-CG 3.38Å; N500-K504 PolarHBondContact O-N 3.02Å; E501-K504 PolarHBondContact O-N 3.41Å; S502-K504 PolarHBondContact O-N 3.4Å; K504-T506 PolarHBondContact O-N 2.94Å; K504-R507 PolarHBondContact O-N 3.49Å; K504-A508 PolarHBondContact O-N 3.07Å; K504-H619 WeakPolarHBondContact CD-O 3.41Å; K504-H619 PolarHBondContact NZ-O 2.77Å; K504-L620 HydrophobicContact CD-CD2 3.89Å
505	R	40.3	Very low	52.4	Low	159 Å²	159	93.3 Å²	93.3	60%	0.6	53%	0.53	S	S	*	.	H	α-helix	trans	-57.3	-43.9	174.8	-84.8	-168.4	174.3	-141.7	-3.5	112.8	E501 S502 R507 A508 I509	E501-R505 PolarHBondContact O-N 3.03Å; S502-R505 PolarHBondContact O-N 3.4Å; R505-R507 VanDerWaalsContact C-N 3.33Å; R505-R507 PolarHBondContact O-N 2.83Å; R505-A508 PolarHBondContact O-N 3.05Å; R505-I509 WeakPolarHBondContact O-CB 3.33Å; R505-I509 WeakPolarHBondContact O-CD1 3.07Å; R505-I509 VanDerWaalsContact O-CG1 3.28Å; R505-I509 WeakPolarHBondContact O-CG1 3.41Å; R505-I509 PolarHBondContact O-N 3.46Å
506	T	44.8	Very low	50.1	Low	96 Å²	96	98.1 Å²	98.1	59%	0.589	56%	0.559	S	S	*	*	H	α-helix	trans	-65.6	-33.5	178.7	-58.2	0	0	0	0	112.7	S502 K504 A510	S502-T506 PolarHBondContact O-N 2.88Å; S502-T506 PolarHBondContact O-OG1 3.38Å; K504-T506 PolarHBondContact O-N 2.94Å; T506-A510 VanDerWaalsContact O-CB 3.22Å; T506-A510 WeakPolarHBondContact O-CB 3.24Å; T506-A510 PolarHBondContact O-N 3.01Å
507	R	43.9	Very low	47.8	Very low	194 Å²	194	97.2 Å²	97.2	73%	0.732	58%	0.576	S	S	*	*	H	α-helix	trans	-71	-42.3	174.6	-72.6	174.2	-169.5	-159.9	2.4	112.2	S503 K504 R505 A510 A511	S503-R507 WeakPolarHBondContact O-CD 3.1Å; S503-R507 VanDerWaalsContact O-CG 3.24Å; S503-R507 WeakPolarHBondContact O-CG 3.33Å; K504-R507 PolarHBondContact O-N 3.49Å; R505-R507 VanDerWaalsContact C-N 3.33Å; R505-R507 PolarHBondContact O-N 2.83Å; R507-A510 PolarHBondContact O-N 3.42Å; R507-A511 WeakPolarHBondContact O-CB 3.31Å; R507-A511 PolarHBondContact O-N 3.22Å
508	A	40.5	Very low	45.9	Very low	55 Å²	55	100.2 Å²	100.2	46%	0.455	60%	0.598	S	S	.	*	H	α-helix	trans	-60	-47.8	174.9	0	0	0	0	0	111.5	K504 R505 A510 A511 T512	K504-A508 PolarHBondContact O-N 3.07Å; R505-A508 PolarHBondContact O-N 3.05Å; A508-A510 PolarHBondContact O-N 2.88Å; A508-A511 PolarHBondContact O-N 2.99Å; A508-A511 VanDerWaalsContact O-N 3.16Å; A508-T512 PolarHBondContact O-N 3.22Å; A508-T512 VanDerWaalsContact O-N 3.14Å; A508-T512 PolarHBondContact O-OG1 2.68Å; A508-T512 VanDerWaalsContact O-OG1 3.13Å
509	I	45.6	Very low	43.6	Very low	113 Å²	113	98.6 Å²	98.6	58%	0.579	61%	0.611	S	S	*	*	H	α-helix	trans	-65	-38.4	178.8	-65.9	165.1	0	0	0	111.6	R505 A511 T512 G513	R505-I509 WeakPolarHBondContact O-CB 3.33Å; R505-I509 WeakPolarHBondContact O-CD1 3.07Å; R505-I509 VanDerWaalsContact O-CG1 3.28Å; R505-I509 WeakPolarHBondContact O-CG1 3.41Å; R505-I509 PolarHBondContact O-N 3.46Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-T512 PolarHBondContact O-N 2.83Å; I509-T512 PolarHBondContact O-OG1 3.31Å; I509-G513 PolarHBondContact O-N 3.33Å; I509-G513 VanDerWaalsContact O-N 3.09Å
510	A	42.8	Very low	41.6	Very low	79 Å²	79	98.2 Å²	98.2	65%	0.653	63%	0.626	S	S	*	*	H	α-helix	trans	-68.2	-29.8	175	0	0	0	0	0	113.1	T506 R507 A508	T506-A510 VanDerWaalsContact O-CB 3.22Å; T506-A510 WeakPolarHBondContact O-CB 3.24Å; T506-A510 PolarHBondContact O-N 3.01Å; R507-A510 PolarHBondContact O-N 3.42Å; A508-A510 PolarHBondContact O-N 2.88Å
511	A	42.5	Very low	40.1	Very low	89 Å²	89	101.6 Å²	101.6	74%	0.736	65%	0.649	S	S	*	*	H	α-helix	trans	-75.6	-24.8	175.3	0	0	0	0	0	113.3	R507 A508 I509	R507-A511 WeakPolarHBondContact O-CB 3.31Å; R507-A511 PolarHBondContact O-N 3.22Å; A508-A511 PolarHBondContact O-N 2.99Å; A508-A511 VanDerWaalsContact O-N 3.16Å; I509-A511 VanDerWaalsContact C-N 3.33Å
512	T	45.5	Very low	39	Very low	115 Å²	115	104.1 Å²	104.1	71%	0.706	68%	0.675	S	S	*	*	H	α-helix	trans	-98.1	-2.8	176.9	52.3	0	0	0	0	114.2	A508 I509 C514	A508-T512 PolarHBondContact O-N 3.22Å; A508-T512 VanDerWaalsContact O-N 3.14Å; A508-T512 PolarHBondContact O-OG1 2.68Å; A508-T512 VanDerWaalsContact O-OG1 3.13Å; I509-T512 PolarHBondContact O-N 2.83Å; I509-T512 PolarHBondContact O-OG1 3.31Å; T512-C514 PolarHBondContact O-N 2.79Å
513	G	30.6	Very low	38.2	Very low	64 Å²	64	105.4 Å²	105.4	66%	0.66	70%	0.697	S	S	*	*			trans	-88.5	61.6	-170.5	0	0	0	0	0	115.6	I509	I509-G513 PolarHBondContact O-N 3.33Å; I509-G513 VanDerWaalsContact O-N 3.09Å
514	C	29.6	Very low	37.5	Very low	108 Å²	108	108 Å²	108	73%	0.73	71%	0.714	S	S	*	*			trans	-145.2	158.4	169.7	-159.8	0	0	0	0	113	T512	T512-C514 PolarHBondContact O-N 2.79Å
515	T	33.4	Very low	37	Very low	133 Å²	133	110.5 Å²	110.5	82%	0.816	73%	0.733	S	S	*	*			trans	57.3	68.5	176.2	61.1	0	0	0	0	117.5
516	T	31	Very low	36.7	Very low	152 Å²	152	110.9 Å²	110.9	93%	0.933	74%	0.741	S	S	*	*			trans	-109.1	94.4	145.3	55.1	0	0	0	0	109.1
517	G	33.4	Very low	36.3	Very low	65 Å²	65	113.8 Å²	113.8	67%	0.67	75%	0.752	S	S	*	*			trans	-167.7	103.5	-175.9	0	0	0	0	0	114.7
518	V	38.2	Very low	35.9	Very low	153 Å²	153	108.8 Å²	108.8	93%	0.927	75%	0.747	S	S	*	*			trans	66.4	131	167.1	-162.8	0	0	0	0	115.7
519	G	29.4	Very low	35.6	Very low	77 Å²	77	113.7 Å²	113.7	79%	0.794	77%	0.766	S	S	*	*			trans	-100.9	161.7	176.8	0	0	0	0	0	113.4
520	G	31.1	Very low	35.2	Very low	71 Å²	71	115.4 Å²	115.4	73%	0.732	78%	0.781	S	S	*	*			trans	-178	80.9	-179.7	0	0	0	0	0	115.4
521	T	32.2	Very low	34.8	Very low	129 Å²	129	117.2 Å²	117.2	79%	0.791	79%	0.789	S	S	*	*			trans	35.2	120.4	147	55.5	0	0	0	0	121.9
522	S	33.3	Very low	34.5	Very low	128 Å²	128	116.1 Å²	116.1	90%	0.895	79%	0.786	S	S	*	*			trans	74	130.2	133.8	-53.4	0	0	0	0	121.3
523	G	34.2	Very low	34.1	Very low	80 Å²	80	119.6 Å²	119.6	83%	0.825	80%	0.8	S	S	*	*			trans	160.2	121.9	163.8	0	0	0	0	0	113
524	S	37	Very low	34.2	Very low	105 Å²	105	120.1 Å²	120.1	73%	0.734	81%	0.805	S	S	*	*			trans	-111.8	173	-172.6	-56.8	0	0	0	0	113.8
525	N	38.1	Very low	34.4	Very low	156 Å²	156	121.3 Å²	121.3	83%	0.834	81%	0.814	S	S	*	*			trans	88.5	119.2	166.8	-43.9	-34.6	0	0	0	114.5
526	H	34.5	Very low	34.6	Very low	167 Å²	167	118.7 Å²	118.7	77%	0.773	81%	0.814	S	S	*	*			cis	83.1	108.5	43.4	-172.6	-71	0	0	0	113.3
527	L	36.2	Very low	34.8	Very low	156 Å²	156	117.8 Å²	117.8	82%	0.817	81%	0.813	S	S	*	*			trans	179.5	127.9	139.3	-96.6	159.6	0	0	0	114.2
528	S	35.7	Very low	34.9	Very low	89 Å²	89	118.4 Å²	118.4	62%	0.622	82%	0.82	S	S	*	*			trans	-38.1	154.9	170.8	53.8	0	0	0	0	122.7
529	N	32.8	Very low	34.7	Very low	159 Å²	159	122.1 Å²	122.1	85%	0.85	82%	0.818	S	S	*	*			trans	33.1	133.6	136.9	-64.4	-5.1	0	0	0	122.4
530	V	38.5	Very low	34.9	Very low	148 Å²	148	127.5 Å²	127.5	90%	0.897	82%	0.822	S	S	*	*				-146.9	150.1	123.4	167	0	0	0	0	109
531	S	34.5	Very low	34.9	Very low	117 Å²	117	127.8 Å²	127.8	82%	0.818	83%	0.825	S	S	*	*			trans	-123.9	155.7	173.7	55	0	0	0	0	111.9
532	G	35.3	Very low	34.9	Very low	67 Å²	67	129.4 Å²	129.4	69%	0.691	83%	0.828	S	S	*	*			trans	170.2	131.6	169.7	0	0	0	0	0	117
533	L	37.2	Very low	34.9	Very low	188 Å²	188	128.5 Å²	128.5	98%	0.984	82%	0.822	S	S	*	*			trans	49.8	142.6	136.7	-50.1	172	0	0	0	120.1
534	G	33.5	Very low	34.9	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	82%	0.819	S	S	*	*			cis	178.2	174.4	2.4	0	0	0	0	0	112.7
535	S	33.5	Very low	34.7	Very low	133 Å²	133	131.9 Å²	131.9	93%	0.93	82%	0.822	S	S	*	*			trans	-53.5	150.5	-166.9	-47.4	0	0	0	0	119.3
536	G	37.7	Very low	34.6	Very low	78 Å²	78	131.2 Å²	131.2	80%	0.804	82%	0.818	S	S	*	*			trans	-165	134	161.6	0	0	0	0	0	112.7
537	S	35.3	Very low	34.3	Very low	133 Å²	133	131.2 Å²	131.2	93%	0.93	82%	0.823	S	S	*	*			trans	-120.1	140.8	-169.9	-50.4	0	0	0	0	113.3
538	G	34.7	Very low	34.2	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	82%	0.818	S	S	*	*			trans	-172	81.4	-178.5	0	0	0	0	0	118.4
539	R	34.6	Very low	34	Very low	231 Å²	231	130.3 Å²	130.3	87%	0.872	83%	0.83	S	S	*	*			trans	6.8	133.9	153.1	-71.3	179.1	176.3	-179.6	-1.3	122.3
540	H	32	Very low	34	Very low	190 Å²	190	134 Å²	134	88%	0.88	83%	0.832	S	S	*	*			trans	54.2	131.3	140.5	-67.1	-72.9	0	0	0	121.9
541	G	32.4	Very low	33.5	Very low	77 Å²	77	132.6 Å²	132.6	79%	0.794	83%	0.828	S	S	*	*			trans	160.1	104.3	158.8	0	0	0	0	0	112.8
542	D	30.9	Very low	33.5	Very low	162 Å²	162	130.4 Å²	130.4	87%	0.866	82%	0.823	S	S	*	*			trans	-72.8	161.5	172	-67.9	-70.3	0	0	0	112.1
543	S	33.7	Very low	33.5	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	82%	0.822	S	S	*	*			trans	87.1	109.6	179.1	-39.9	0	0	0	0	116
544	N	34.7	Very low	33.4	Very low	142 Å²	142	124.4 Å²	124.4	76%	0.759	80%	0.799	S	S	*	*				-161.6	127.5	112.8	-106.1	-36.1	0	0	0	113.1	L546	N544-L546 HydrophobicContact CB-CG 4.38Å
545	S	32.3	Very low	34.1	Very low	115 Å²	115	126.5 Å²	126.5	80%	0.804	79%	0.793	S	S	*	*			trans	-79.6	117.1	158.1	177.4	0	0	0	0	107.7
546	L	37.2	Very low	34.8	Very low	142 Å²	142	123.2 Å²	123.2	74%	0.743	77%	0.773	S	S	*	*			trans	-132.9	106.8	171.6	-78.2	175.5	0	0	0	110.7	N544 S548	N544-L546 HydrophobicContact CB-CG 4.38Å; L546-S548 PolarHBondContact O-N 2.92Å
547	N	28.6	Very low	35.5	Very low	166 Å²	166	125 Å²	125	89%	0.888	76%	0.764	S	S	*	*			trans	-56	127.1	156.7	-83	-33.3	0	0	0	109.1
548	S	32.5	Very low	36.6	Very low	101 Å²	101	125.4 Å²	125.4	71%	0.706	75%	0.752	S	S	*	*			trans	-148.1	111.8	160.4	-165.1	0	0	0	0	110.5	L546 R550	L546-S548 PolarHBondContact O-N 2.92Å; S548-R550 PolarHBondContact O-N 3.45Å; S548-R550 VanDerWaalsContact O-N 3.1Å
549	S	31.2	Very low	37.9	Very low	125 Å²	125	127.5 Å²	127.5	87%	0.874	74%	0.744	S	S	*	*			trans	-57.5	109	178.6	-49.6	0	0	0	0	111.1
550	R	33.4	Very low	39.3	Very low	238 Å²	238	119.3 Å²	119.3	90%	0.898	73%	0.725	S	S	*	*			trans	-116.2	113.5	169.2	-83	-170.2	165.8	-167.1	-4.7	111.1	S548	S548-R550 PolarHBondContact O-N 3.45Å; S548-R550 VanDerWaalsContact O-N 3.1Å
551	C	27.3	Very low	41	Very low	118 Å²	118	113.8 Å²	113.8	80%	0.797	71%	0.705	S	S	*	*			trans	-79.8	143.8	-179.1	43.6	0	0	0	0	112.7	A553	C551-A553 PolarHBondContact O-N 2.75Å
552	G	34.8	Very low	43	Very low	70 Å²	70	113.1 Å²	113.1	72%	0.722	69%	0.686	S	S	*	*	S	Bend	trans	66	-15.2	147	0	0	0	0	0	120.5
553	A	34.9	Very low	45.2	Very low	82 Å²	82	110.1 Å²	110.1	68%	0.678	67%	0.666	S	S	*	*	S	Bend	trans	-91.2	-16.1	-170.1	0	0	0	0	0	115.3	C551	C551-A553 PolarHBondContact O-N 2.75Å
554	G	36.6	Very low	47.5	Very low	48 Å²	48	111.4 Å²	111.4	50%	0.495	66%	0.66	S	S	.	*	H	α-helix	trans	-73	-57.8	-177.7	0	0	0	0	0	112.6	A556 N557 E558	G554-A556 PolarHBondContact O-N 2.9Å; G554-A556 VanDerWaalsContact O-N 3.12Å; G554-N557 PolarHBondContact O-N 3.22Å; G554-E558 PolarHBondContact O-N 3.23Å
555	D	47.5	Very low	49.9	Very low	117 Å²	117	106.7 Å²	106.7	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-51.9	-39.6	-173.4	-50	14.5	0	0	0	112.8	N557 E558 L559	D555-N557 VanDerWaalsContact C-N 3.34Å; D555-N557 PolarHBondContact O-N 3.17Å; D555-E558 PolarHBondContact O-N 2.86Å; D555-L559 WeakPolarHBondContact O-CB 3.36Å; D555-L559 WeakPolarHBondContact O-CD1 3.34Å; D555-L559 VanDerWaalsContact O-CG 3.25Å; D555-L559 WeakPolarHBondContact O-CG 3.2Å; D555-L559 PolarHBondContact O-N 2.86Å
556	A	48.3	Very low	52.5	Low	64 Å²	64	101.5 Å²	101.5	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-64.8	-36	-179.9	0	0	0	0	0	113	G554 A560	G554-A556 PolarHBondContact O-N 2.9Å; G554-A556 VanDerWaalsContact O-N 3.12Å; A556-A560 WeakPolarHBondContact O-CB 3.46Å; A556-A560 PolarHBondContact O-N 2.86Å; A556-A560 VanDerWaalsContact O-N 3.09Å
557	N	51.8	Low	54.9	Low	115 Å²	115	100 Å²	100	62%	0.615	59%	0.587	S	S	*	*	H	α-helix	trans	-75.5	-38.7	178	-172.2	72.5	0	0	0	111.4	G554 D555 A560 V561	G554-N557 PolarHBondContact O-N 3.22Å; D555-N557 VanDerWaalsContact C-N 3.34Å; D555-N557 PolarHBondContact O-N 3.17Å; N557-A560 PolarHBondContact O-N 3.47Å; N557-V561 WeakPolarHBondContact O-CG2 3.31Å; N557-V561 PolarHBondContact O-N 2.88Å
558	E	59.6	Low	57.8	Low	143 Å²	143	94.1 Å²	94.1	67%	0.668	56%	0.559	S	S	*	*	H	α-helix	trans	-66.5	-40.5	176.8	-167.2	173.9	159.8	0	0	112.1	G554 D555 T562	G554-E558 PolarHBondContact O-N 3.23Å; D555-E558 PolarHBondContact O-N 2.86Å; E558-T562 WeakPolarHBondContact O-CB 3.42Å; E558-T562 PolarHBondContact O-N 3.25Å; E558-T562 PolarHBondContact O-OG1 3.18Å
559	L	61.1	Low	60.7	Low	122 Å²	122	89.4 Å²	89.4	64%	0.639	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-45.6	171.4	-74	166.2	0	0	0	112	D555 V561 T562 E563	D555-L559 WeakPolarHBondContact O-CB 3.36Å; D555-L559 WeakPolarHBondContact O-CD1 3.34Å; D555-L559 VanDerWaalsContact O-CG 3.25Å; D555-L559 WeakPolarHBondContact O-CG 3.2Å; D555-L559 PolarHBondContact O-N 2.86Å; L559-V561 PolarHBondContact O-N 3.36Å; L559-T562 PolarHBondContact O-N 2.72Å; L559-E563 PolarHBondContact O-N 3.07Å
560	A	63.8	Low	63.6	Low	59 Å²	59	85.7 Å²	85.7	49%	0.488	49%	0.493	S	S	.	.	H	α-helix	trans	-64.2	-38.7	178.8	0	0	0	0	0	112.9	A556 N557 H564	A556-A560 WeakPolarHBondContact O-CB 3.46Å; A556-A560 PolarHBondContact O-N 2.86Å; A556-A560 VanDerWaalsContact O-N 3.09Å; N557-A560 PolarHBondContact O-N 3.47Å; A560-H564 WeakPolarHBondContact O-CB 3.25Å; A560-H564 PolarHBondContact O-N 3.24Å; A560-H564 VanDerWaalsContact O-N 3.08Å
561	V	67.6	Low	66.4	Low	75 Å²	75	78.5 Å²	78.5	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-44	172.8	168.2	0	0	0	0	110.8	N557 L559 H564 L565	N557-V561 WeakPolarHBondContact O-CG2 3.31Å; N557-V561 PolarHBondContact O-N 2.88Å; L559-V561 PolarHBondContact O-N 3.36Å; V561-H564 PolarHBondContact O-N 3.35Å; V561-L565 HydrophobicContact CG1-CD1 4.17Å; V561-L565 WeakPolarHBondContact O-CG 3.45Å; V561-L565 PolarHBondContact O-N 2.83Å; V561-L565 VanDerWaalsContact O-N 3.07Å
562	T	74.1	Confident	69.5	Low	63 Å²	63	73.4 Å²	73.4	39%	0.387	45%	0.445	S	S	.	.	H	α-helix	trans	-62.2	-45.4	178.7	-56.4	0	0	0	0	111.6	E558 L559 H564 L565 I566	E558-T562 WeakPolarHBondContact O-CB 3.42Å; E558-T562 PolarHBondContact O-N 3.25Å; E558-T562 PolarHBondContact O-OG1 3.18Å; L559-T562 PolarHBondContact O-N 2.72Å; T562-H564 PolarHBondContact O-N 3.45Å; T562-L565 PolarHBondContact O-N 3.23Å; T562-I566 HydrophobicContact CG2-CD1 4.03Å; T562-I566 WeakPolarHBondContact O-CG1 3.42Å; T562-I566 PolarHBondContact O-N 3.23Å
563	E	78.5	Confident	72.4	Confident	98 Å²	98	72.9 Å²	72.9	46%	0.458	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-39.3	178.5	-164.6	63	-152.7	0	0	111.9	L559 L565 I566 Q567	L559-E563 PolarHBondContact O-N 3.07Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 3.14Å; E563-I566 PolarHBondContact O-N 2.78Å; E563-Q567 WeakPolarHBondContact O-CB 3.36Å; E563-Q567 PolarHBondContact O-N 3.22Å
564	H	82.1	Confident	75.1	Confident	137 Å²	137	70 Å²	70	63%	0.634	41%	0.412	S	S	*	.	H	α-helix	trans	-62.4	-39.6	174.6	-177.2	-80.8	0	0	0	112.4	A560 V561 T562 Q567 S568	A560-H564 WeakPolarHBondContact O-CB 3.25Å; A560-H564 PolarHBondContact O-N 3.24Å; A560-H564 VanDerWaalsContact O-N 3.08Å; V561-H564 PolarHBondContact O-N 3.35Å; T562-H564 PolarHBondContact O-N 3.45Å; H564-Q567 PolarHBondContact O-N 3.23Å; H564-S568 WeakPolarHBondContact O-CB 3.29Å; H564-S568 PolarHBondContact O-N 3.03Å
565	L	85.6	Confident	78	Confident	43 Å²	43	67.8 Å²	67.8	23%	0.225	39%	0.389	C	S	.	.	H	α-helix	trans	-66.8	-41.7	175	-66.3	171.2	0	0	0	111.6	V561 T562 E563 S568 I569 V628	V561-L565 HydrophobicContact CG1-CD1 4.17Å; V561-L565 WeakPolarHBondContact O-CG 3.45Å; V561-L565 PolarHBondContact O-N 2.83Å; V561-L565 VanDerWaalsContact O-N 3.07Å; T562-L565 PolarHBondContact O-N 3.23Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 3.14Å; L565-S568 PolarHBondContact O-N 3.39Å; L565-I569 PolarHBondContact O-N 3.48Å; L565-I569 VanDerWaalsContact O-N 3.11Å; L565-V628 HydrophobicContact CB-CG2 4.08Å; L565-V628 HydrophobicContact CD2-CB 4.49Å; L565-V628 HydrophobicContact CD2-CG1 4.08Å; L565-V628 HydrophobicContact CD2-CG2 4.18Å; L565-V628 HydrophobicContact CG-CG2 4.49Å
566	I	85.5	Confident	80.2	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-60.4	-45.8	174.5	-70.6	168.1	0	0	0	110.7	T562 E563 S568 I569 R570 L618	T562-I566 HydrophobicContact CG2-CD1 4.03Å; T562-I566 WeakPolarHBondContact O-CG1 3.42Å; T562-I566 PolarHBondContact O-N 3.23Å; E563-I566 PolarHBondContact O-N 2.78Å; I566-S568 VanDerWaalsContact C-N 3.3Å; I566-S568 PolarHBondContact O-N 3.04Å; I566-I569 WeakPolarHBondContact O-CB 3.46Å; I566-I569 PolarHBondContact O-N 3Å; I566-I569 VanDerWaalsContact O-N 3.12Å; I566-R570 PolarHBondContact O-N 3.19Å; I566-L618 WeakPolarHBondContact CD1-O 3.4Å; I566-L618 HydrophobicContact CG1-CB 4.33Å; I566-L618 HydrophobicContact CG1-CD2 4.44Å; I566-L618 HydrophobicContact CG2-CB 4.37Å; I566-L618 HydrophobicContact CG2-CD1 4.18Å; I566-L618 HydrophobicContact CG2-CD2 4.45Å
567	Q	87.2	Confident	82.5	Confident	111 Å²	111	69.3 Å²	69.3	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-36.1	178.2	-172.1	58.4	25.7	0	0	112	E563 H564 I569 R570 S571	E563-Q567 WeakPolarHBondContact O-CB 3.36Å; E563-Q567 PolarHBondContact O-N 3.22Å; H564-Q567 PolarHBondContact O-N 3.23Å; Q567-I569 VanDerWaalsContact C-N 3.31Å; Q567-I569 PolarHBondContact O-N 2.72Å; Q567-R570 PolarHBondContact O-N 3Å; Q567-S571 PolarHBondContact O-N 3.32Å; Q567-S571 PolarHBondContact O-OG 3.39Å
568	S	89.6	Confident	84.7	Confident	43 Å²	43	64 Å²	64	30%	0.301	35%	0.354	S	S	.	.	H	α-helix	trans	-66.7	-28.1	174.4	-171.2	0	0	0	0	113.5	H564 L565 I566 S571 S632	H564-S568 WeakPolarHBondContact O-CB 3.29Å; H564-S568 PolarHBondContact O-N 3.03Å; L565-S568 PolarHBondContact O-N 3.39Å; I566-S568 VanDerWaalsContact C-N 3.3Å; I566-S568 PolarHBondContact O-N 3.04Å; S568-S571 WeakPolarHBondContact CA-OG 3.44Å; S568-S571 PolarHBondContact O-OG 3.36Å; S568-S632 PolarHBondContact O-OG 2.85Å; S568-S632 PolarHBondContact OG-OG 2.99Å
569	I	93.3	Very high	86.4	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-73.3	-45.6	169.5	-65	168.4	0	0	0	110.5	L565 I566 Q567 S571 A572 N575 M596 L618 W623 V628 M631	L565-I569 PolarHBondContact O-N 3.48Å; L565-I569 VanDerWaalsContact O-N 3.11Å; I566-I569 WeakPolarHBondContact O-CB 3.46Å; I566-I569 PolarHBondContact O-N 3Å; I566-I569 VanDerWaalsContact O-N 3.12Å; Q567-I569 VanDerWaalsContact C-N 3.31Å; Q567-I569 PolarHBondContact O-N 2.72Å; I569-S571 VanDerWaalsContact C-N 3.29Å; I569-S571 PolarHBondContact O-N 3.2Å; I569-A572 PolarHBondContact O-N 2.87Å; I569-N575 PolarHBondContact O-ND2 3.43Å; I569-M596 HydrophobicContact CG2-CG 4.26Å; I569-M596 HydrophobicContact CG2-SD 3.7Å; I569-L618 HydrophobicContact CB-CD2 4.21Å; I569-L618 HydrophobicContact CD1-CD2 3.64Å; I569-L618 HydrophobicContact CG2-CD2 4.02Å; I569-W623 HydrophobicContact CD1-CD2 4.08Å; I569-W623 HydrophobicContact CD1-CE3 3.65Å; I569-W623 HydrophobicContact CD1-CH2 3.84Å; I569-W623 HydrophobicContact CD1-CZ2 4.27Å; I569-W623 HydrophobicContact CD1-CZ3 3.52Å; I569-V628 HydrophobicContact CD1-CG2 4.17Å; I569-V628 HydrophobicContact CG1-CG1 4.14Å; I569-M631 HydrophobicContact CD1-CB 4.42Å; I569-M631 HydrophobicContact CG1-CB 3.97Å; I569-M631 HydrophobicContact CG2-CB 4.02Å; I569-M631 HydrophobicContact CG2-CE 4.26Å
570	R	92.5	Very high	88.2	Confident	48 Å²	48	51.4 Å²	51.4	18%	0.181	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-33.4	-179.5	-68.5	-166.8	-171.8	-74	3.4	113	I566 Q567 A572 P586 D587 L618 H619	I566-R570 PolarHBondContact O-N 3.19Å; Q567-R570 PolarHBondContact O-N 3Å; R570-A572 PolarHBondContact O-N 3.41Å; R570-P586 PolarHBondContact NH1-O 2.87Å; R570-D587 IonicContact CZ-OD1 3.59Å; R570-D587 IonicContact NH1-OD1 2.73Å; R570-D587 IonicContact NH2-OD1 2.68Å; R570-D587 PolarHBondContact NH2-OD1 2.64Å; R570-L618 HydrophobicContact CG-CD1 4.48Å; R570-H619 PolarHBondContact NH2-NE2 2.84Å
571	S	92.5	Very high	89.6	Confident	87 Å²	87	48.6 Å²	48.6	61%	0.608	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.1	-179.9	56.1	0	0	0	0	115.9	Q567 S568 I569	Q567-S571 PolarHBondContact O-N 3.32Å; Q567-S571 PolarHBondContact O-OG 3.39Å; S568-S571 WeakPolarHBondContact CA-OG 3.44Å; S568-S571 PolarHBondContact O-OG 3.36Å; I569-S571 VanDerWaalsContact C-N 3.29Å; I569-S571 PolarHBondContact O-N 3.2Å
572	A	93	Very high	90.9	Very high	10 Å²	10	46.5 Å²	46.5	8%	0.083	26%	0.263	C	S	.	.	S	Bend	trans	-80	143.2	177.9	0	0	0	0	0	112.1	I569 R570 G574 N575	I569-A572 PolarHBondContact O-N 2.87Å; R570-A572 PolarHBondContact O-N 3.41Å; A572-G574 PolarHBondContact O-N 3.06Å; A572-N575 VanDerWaalsContact O-CB 3.29Å; A572-N575 WeakPolarHBondContact O-CB 3.34Å; A572-N575 PolarHBondContact O-N 3.4Å
573	A	94.5	Very high	91.9	Very high	60 Å²	60	44.1 Å²	44.1	50%	0.496	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	122.5	-165	0	0	0	0	0	113.7	N575 N636 T637	A573-N575 VanDerWaalsContact C-N 3.35Å; A573-N636 PolarHBondContact O-N 3.14Å; A573-T637 WeakPolarHBondContact O-CB 3.29Å; A573-T637 PolarHBondContact O-N 3.41Å; A573-T637 PolarHBondContact O-OG1 3.06Å
574	G	93.4	Very high	92.6	Very high	21 Å²	21	43.5 Å²	43.5	22%	0.216	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-0.5	177	0	0	0	0	0	115.3	A572 D576 F577 N636 T637	A572-G574 PolarHBondContact O-N 3.06Å; G574-D576 PolarHBondContact O-N 2.87Å; G574-F577 PolarHBondContact O-N 3.03Å; G574-F577 VanDerWaalsContact O-O 3.1Å; G574-N636 WeakPolarHBondContact O-CB 3.38Å; G574-N636 PolarHBondContact O-ND2 3.09Å; G574-T637 PolarHBondContact N-OG1 2.7Å
575	N	96	Very high	93.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.011	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.5	179.4	-76.1	-3.2	0	0	0	113.8	I569 A572 A573 F577 P586 M596 G635 N636	I569-N575 PolarHBondContact O-ND2 3.43Å; A572-N575 VanDerWaalsContact O-CB 3.29Å; A572-N575 WeakPolarHBondContact O-CB 3.34Å; A572-N575 PolarHBondContact O-N 3.4Å; A573-N575 VanDerWaalsContact C-N 3.35Å; N575-F577 PolarHBondContact O-N 3.48Å; N575-P586 WeakPolarHBondContact O-CD 3.33Å; N575-P586 WeakPolarHBondContact O-CG 3.47Å; N575-M596 HydrophobicContact CB-CB 4.28Å; N575-M596 HydrophobicContact CB-CG 3.84Å; N575-M596 VanDerWaalsContact CG-CG 3.45Å; N575-G635 WeakPolarHBondContact OD1-CA 3.31Å; N575-N636 PolarHBondContact OD1-N 3.29Å
576	D	93.9	Very high	93.5	Very high	97 Å²	97	41.7 Å²	41.7	52%	0.519	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.3	170.3	-45.4	-81.3	0	0	0	113.1	G574 P584 E585 P586	G574-D576 PolarHBondContact O-N 2.87Å; D576-P584 CarbonylContact O-C 3.47Å; D576-P584 WeakPolarHBondContact O-CA 3.44Å; D576-E585 PolarHBondContact O-N 2.99Å; D576-P586 WeakPolarHBondContact O-CD 3.42Å
577	F	96.6	Very high	93.9	Very high	115 Å²	115	43.2 Å²	43.2	50%	0.504	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-131.7	139.7	-177.8	-58	-81.8	0	0	0	111.5	G574 N575 A579 G582 A583 P584 N636	G574-F577 PolarHBondContact O-N 3.03Å; G574-F577 VanDerWaalsContact O-O 3.1Å; N575-F577 PolarHBondContact O-N 3.48Å; F577-A579 PolarHBondContact O-N 3.46Å; F577-G582 WeakPolarHBondContact CD1-O 3.41Å; F577-A583 CarbonylContact C-O 3.18Å; F577-P584 HydrophobicContact CD1-CB 4.18Å; F577-P584 HydrophobicContact CE1-CB 4.21Å; F577-N636 PolarHBondContact O-ND2 2.73Å
578	C	97.5	Very high	94.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.02	23%	0.234	C	C	.	.			trans	-51.9	127.5	175.9	174.7	0	0	0	0	111.9	D580 G582 A583 C598	C578-D580 PolarHBondContact O-N 2.87Å; C578-G582 WeakPolarHBondContact O-CA 3.43Å; C578-G582 PolarHBondContact O-N 3.48Å; C578-A583 HydrophobicContact CB-CB 4.02Å; C578-A583 WeakPolarHBondContact CB-O 3.39Å; C578-A583 PolarHBondContact N-O 3.3Å; C578-C598 HydrophobicContact CB-CB 4.03Å; C578-C598 PolarHBondContact SG-N 2.98Å
579	A	96.8	Very high	94.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-36.3	-176.5	0	0	0	0	0	113.2	F577 A595 M596 V597 N636 N640 K681 K698	F577-A579 PolarHBondContact O-N 3.46Å; A579-A595 HydrophobicContact CB-CB 4.17Å; A579-M596 PolarHBondContact N-O 3.34Å; A579-V597 HydrophobicContact CB-CG1 4.11Å; A579-N636 WeakPolarHBondContact CB-OD1 3.09Å; A579-N636 PolarHBondContact N-ND2 2.89Å; A579-N640 PolarHBondContact O-ND2 3Å; A579-N640 PolarHBondContact O-OD1 3.19Å; A579-K681 WeakPolarHBondContact O-CE 3.35Å; A579-K681 PolarHBondContact O-NZ 2.59Å; A579-K698 PolarHBondContact O-NZ 3.44Å
580	D	97.1	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-36.5	-168.5	-48.4	-53.9	0	0	0	113.9	C578 V597 H605 K681 W694 I695 K698 Y699	C578-D580 PolarHBondContact O-N 2.87Å; D580-V597 VanDerWaalsContact OD2-CG1 3.23Å; D580-V597 WeakPolarHBondContact OD2-CG1 2.97Å; D580-H605 IonicContact OD2-NE2 3.43Å; D580-H605 PolarHBondContact OD2-NE2 3.48Å; D580-K681 WeakPolarHBondContact O-CE 3.45Å; D580-K681 WeakPolarHBondContact O-CG 3.36Å; D580-W694 PolarHBondContact O-NE1 2.97Å; D580-I695 HydrophobicContact CB-CD1 4.14Å; D580-I695 HydrophobicContact CB-CG1 3.92Å; D580-K698 IonicContact OD1-NZ 2.96Å; D580-K698 PolarHBondContact OD1-NZ 3.5Å; D580-Y699 VanDerWaalsContact OD1-CE2 3.27Å; D580-Y699 WeakPolarHBondContact OD1-CE2 3.3Å; D580-Y699 PolarHBondContact OD1-OH 2.89Å
581	C	94.9	Very high	95.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	9	-172.7	84	0	0	0	0	115.1	A583 C601 P682 D683 P684 K691	C581-A583 PolarHBondContact O-N 3.39Å; C581-C601 VanDerWaalsContact SG-SG 3.69Å; C581-P682 CarbonylContact C-O 3.49Å; C581-P682 VanDerWaalsContact CA-O 3.24Å; C581-P682 WeakPolarHBondContact CA-O 3.31Å; C581-P682 HydrophobicContact CB-CB 4.34Å; C581-P682 HydrophobicContact CB-CG 4.05Å; C581-D683 CarbonylContact O-C 3.59Å; C581-P684 WeakPolarHBondContact O-CD 3.5Å; C581-P684 VanDerWaalsContact O-N 3.14Å; C581-K691 HydrophobicContact CB-CD 4.38Å; C581-K691 HydrophobicContact CB-CG 4.37Å
582	G	94.1	Very high	95.1	Very high	31 Å²	31	31.6 Å²	31.6	32%	0.32	19%	0.186	S	C	.	.			trans	64.7	8.5	176.2	0	0	0	0	0	116.2	F577 C578	F577-G582 WeakPolarHBondContact CD1-O 3.41Å; C578-G582 WeakPolarHBondContact O-CA 3.43Å; C578-G582 PolarHBondContact O-N 3.48Å
583	A	94.9	Very high	95.3	Very high	13 Å²	13	31.3 Å²	31.3	11%	0.107	18%	0.183	C	C	.	.			trans	-62.9	128.8	176.8	0	0	0	0	0	110.8	F577 C578 C581 C598 P684	F577-A583 CarbonylContact C-O 3.18Å; C578-A583 HydrophobicContact CB-CB 4.02Å; C578-A583 WeakPolarHBondContact CB-O 3.39Å; C578-A583 PolarHBondContact N-O 3.3Å; C581-A583 PolarHBondContact O-N 3.39Å; A583-C598 HydrophobicContact CB-CB 3.93Å; A583-P684 HydrophobicContact CB-CB 3.95Å; A583-P684 HydrophobicContact CB-CG 4.26Å
584	P	94.5	Very high	95.4	Very high	85 Å²	85	28.4 Å²	28.4	55%	0.552	16%	0.159	S	C	*	.	B	Isolated β-bridge	trans	-67.4	160.4	-175.8	29.5	-36.5	0	0	0	112.3	D576 F577	D576-P584 CarbonylContact O-C 3.47Å; D576-P584 WeakPolarHBondContact O-CA 3.44Å; F577-P584 HydrophobicContact CD1-CB 4.18Å; F577-P584 HydrophobicContact CE1-CB 4.21Å
585	E	90.7	Very high	95.6	Very high	141 Å²	141	27.5 Å²	27.5	66%	0.659	15%	0.149	S	C	*	.	S	Bend	trans	49	57.3	175.8	-59.6	-175	157.2	0	0	113.9	D576 D587	D576-E585 PolarHBondContact O-N 2.99Å; E585-D587 PolarHBondContact O-N 3.27Å
586	P	95.5	Very high	95.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.149	C	C	.	.			trans	-59.3	129.3	175.2	26.5	-35.1	0	0	0	111.5	R570 N575 D576 M596 V597	R570-P586 PolarHBondContact NH1-O 2.87Å; N575-P586 WeakPolarHBondContact O-CD 3.33Å; N575-P586 WeakPolarHBondContact O-CG 3.47Å; D576-P586 WeakPolarHBondContact O-CD 3.42Å; P586-M596 HydrophobicContact CB-CB 4.06Å; P586-M596 HydrophobicContact CB-CE 4.29Å; P586-M596 HydrophobicContact CG-CB 3.7Å; P586-M596 HydrophobicContact CG-CE 4.41Å; P586-M596 WeakPolarHBondContact O-CE 3.28Å; P586-V597 VanDerWaalsContact CB-C 3.43Å; P586-V597 VanDerWaalsContact CB-O 3.29Å; P586-V597 WeakPolarHBondContact CB-O 3.41Å
587	D	93.9	Very high	95.8	Very high	37 Å²	37	22.8 Å²	22.8	20%	0.198	12%	0.124	C	C	.	.			trans	-103.9	2	179.6	-83.8	-26	0	0	0	113.4	R570 E585 S617 L618 H619	R570-D587 IonicContact CZ-OD1 3.59Å; R570-D587 IonicContact NH1-OD1 2.73Å; R570-D587 IonicContact NH2-OD1 2.68Å; R570-D587 PolarHBondContact NH2-OD1 2.64Å; E585-D587 PolarHBondContact O-N 3.27Å; D587-S617 WeakPolarHBondContact O-CA 3.24Å; D587-S617 PolarHBondContact O-OG 3.22Å; D587-L618 PolarHBondContact O-N 2.99Å; D587-H619 IonicContact OD1-CD2 3.67Å; D587-H619 PolarHBondContact OD1-CD2 3.36Å; D587-H619 IonicContact OD1-NE2 3.41Å; D587-H619 PolarHBondContact OD1-NE2 2.85Å; D587-H619 IonicContact OD2-CD2 3.68Å; D587-H619 IonicContact OD2-NE2 2.63Å; D587-H619 PolarHBondContact OD2-NE2 3.46Å
588	W	97.1	Very high	95.9	Very high	27 Å²	27	18.1 Å²	18.1	10%	0.102	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.3	179.3	-60.4	82.7	0	0	0	111.1	M596 V597 I615 R616 S617 L620	W588-M596 CarbonylContact O-C 3.59Å; W588-M596 WeakPolarHBondContact O-CA 3.39Å; W588-M596 WeakPolarHBondContact O-CE 3.48Å; W588-V597 HydrophobicContact CB-CG2 4.03Å; W588-V597 WeakPolarHBondContact CB-O 3.33Å; W588-V597 PolarHBondContact N-O 3.16Å; W588-V597 PolarHBondContact O-N 3.32Å; W588-I615 HydrophobicContact CE3-CG2 3.65Å; W588-I615 HydrophobicContact CZ3-CG2 4.28Å; W588-R616 CarbonylContact C-O 3.31Å; W588-R616 VanDerWaalsContact CA-O 3.31Å; W588-R616 WeakPolarHBondContact CA-O 3.38Å; W588-S617 VanDerWaalsContact CZ3-CB 3.49Å; W588-L620 HydrophobicContact CH2-CD1 3.9Å; W588-L620 HydrophobicContact CZ2-CD1 4.06Å
589	A	97	Very high	95.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.9	-176.4	0	0	0	0	0	110.8	A595 M596 I615 R616 W623 M631	A589-A595 CarbonylContact C-O 3.55Å; A589-A595 WeakPolarHBondContact CA-O 3.48Å; A589-M596 HydrophobicContact CB-SD 3.6Å; A589-M596 VanDerWaalsContact CB-SD 3.6Å; A589-I615 CarbonylContact O-C 3.53Å; A589-I615 VanDerWaalsContact O-CA 3.26Å; A589-I615 WeakPolarHBondContact O-CA 3.35Å; A589-R616 PolarHBondContact N-O 3.5Å; A589-R616 PolarHBondContact O-N 3.17Å; A589-W623 HydrophobicContact CB-CH2 3.61Å; A589-W623 HydrophobicContact CB-CZ2 4.05Å; A589-M631 HydrophobicContact CB-CE 3.86Å; A589-M631 HydrophobicContact CB-SD 4.12Å
590	S	97.2	Very high	95.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	95.9	165.7	-179.6	0	0	0	0	109.6	N592 L593 G594 A595 S613	S590-N592 PolarHBondContact O-N 2.92Å; S590-L593 PolarHBondContact O-N 2.91Å; S590-L593 VanDerWaalsContact OG-CD1 3.3Å; S590-L593 WeakPolarHBondContact OG-CD1 3.34Å; S590-L593 WeakPolarHBondContact OG-CG 3.28Å; S590-G594 PolarHBondContact O-N 3.3Å; S590-G594 VanDerWaalsContact O-N 3.16Å; S590-A595 PolarHBondContact N-O 3.02Å; S590-S613 WeakPolarHBondContact CB-OG 3.49Å; S590-S613 PolarHBondContact OG-OG 2.93Å
591	L	95.1	Very high	95.7	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.063	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-49.5	-52.1	-170.2	-64.7	-177.1	0	0	0	113.5	L593 G594 R614 R616 W623 M631 W773	L591-L593 PolarHBondContact O-N 3.2Å; L591-L593 VanDerWaalsContact O-N 3.15Å; L591-G594 PolarHBondContact O-N 3.46Å; L591-G594 VanDerWaalsContact O-N 3.13Å; L591-R614 HydrophobicContact CB-CB 4.37Å; L591-R614 PolarHBondContact N-O 3.48Å; L591-R616 HydrophobicContact CD1-CG 3.75Å; L591-R616 HydrophobicContact CD2-CB 4.5Å; L591-R616 HydrophobicContact CD2-CG 4.25Å; L591-R616 HydrophobicContact CG-CG 3.95Å; L591-W623 HydrophobicContact CD2-CE3 4.33Å; L591-W623 HydrophobicContact CD2-CH2 3.57Å; L591-W623 HydrophobicContact CD2-CZ3 3.43Å; L591-W623 VanDerWaalsContact CD2-CZ3 3.43Å; L591-M631 HydrophobicContact CD2-CG 4.33Å; L591-W773 VanDerWaalsContact C-CZ3 3.49Å; L591-W773 HydrophobicContact CB-CE3 4.44Å; L591-W773 HydrophobicContact CB-CH2 3.67Å; L591-W773 HydrophobicContact CB-CZ2 4.18Å; L591-W773 HydrophobicContact CB-CZ3 3.81Å; L591-W773 HydrophobicContact CD1-CH2 4.27Å; L591-W773 HydrophobicContact CD1-CZ2 4.12Å; L591-W773 HydrophobicContact CG-CH2 4.41Å; L591-W773 VanDerWaalsContact O-CZ3 3.3Å; L591-W773 WeakPolarHBondContact O-CZ3 3.29Å
592	N	94.5	Very high	95.8	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.032	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-72.3	-5.1	-177.3	70.7	-71.8	0	0	0	114.7	S590 I612 S613 R614 W773 Y774	S590-N592 PolarHBondContact O-N 2.92Å; N592-I612 PolarHBondContact ND2-O 2.91Å; N592-S613 WeakPolarHBondContact OD1-CA 3.47Å; N592-R614 PolarHBondContact OD1-N 2.73Å; N592-W773 HydrophobicContact CB-CB 4.36Å; N592-W773 HydrophobicContact CB-CE3 4.15Å; N592-Y774 HydrophobicContact CB-CE2 4.16Å; N592-Y774 PolarHBondContact ND2-OH 2.69Å; N592-Y774 VanDerWaalsContact O-CE2 3.29Å; N592-Y774 WeakPolarHBondContact O-CE2 3.47Å; N592-Y774 PolarHBondContact O-OH 2.86Å
593	L	96.3	Very high	95.8	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-108.4	-8.3	174.8	-57.3	177	0	0	0	111.9	S590 L591 A595 W643 Y699	S590-L593 PolarHBondContact O-N 2.91Å; S590-L593 VanDerWaalsContact OG-CD1 3.3Å; S590-L593 WeakPolarHBondContact OG-CD1 3.34Å; S590-L593 WeakPolarHBondContact OG-CG 3.28Å; L591-L593 PolarHBondContact O-N 3.2Å; L591-L593 VanDerWaalsContact O-N 3.15Å; L593-A595 HydrophobicContact CB-CB 4.17Å; L593-A595 PolarHBondContact O-N 3.09Å; L593-W643 HydrophobicContact CD2-CH2 4.41Å; L593-W643 HydrophobicContact CD2-CZ2 3.58Å; L593-Y699 HydrophobicContact CD1-CD1 3.76Å; L593-Y699 HydrophobicContact CD1-CE1 3.61Å; L593-Y699 HydrophobicContact CD1-CG 4.3Å; L593-Y699 HydrophobicContact CD2-CD1 4.36Å; L593-Y699 HydrophobicContact CD2-CE1 4.47Å
594	G	95.9	Very high	95.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	19.4	-175.6	0	0	0	0	0	114.6	S590 L591 G635	S590-G594 PolarHBondContact O-N 3.3Å; S590-G594 VanDerWaalsContact O-N 3.16Å; L591-G594 PolarHBondContact O-N 3.46Å; L591-G594 VanDerWaalsContact O-N 3.13Å; G594-G635 PolarHBondContact O-N 3.39Å
595	A	97.3	Very high	96	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.1	-162.6	0	0	0	0	0	113.5	A579 A589 S590 L593 N636 A639	A579-A595 HydrophobicContact CB-CB 4.17Å; A589-A595 CarbonylContact C-O 3.55Å; A589-A595 WeakPolarHBondContact CA-O 3.48Å; S590-A595 PolarHBondContact N-O 3.02Å; L593-A595 HydrophobicContact CB-CB 4.17Å; L593-A595 PolarHBondContact O-N 3.09Å; A595-N636 WeakPolarHBondContact CA-OD1 3.36Å; A595-N636 WeakPolarHBondContact CB-OD1 3.3Å; A595-A639 HydrophobicContact CB-CB 4.13Å
596	M	97.7	Very high	96.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.8	176.6	-70.9	-60	-57.9	0	0	111.6	I569 N575 A579 P586 W588 A589 L618 M631 N636	I569-M596 HydrophobicContact CG2-CG 4.26Å; I569-M596 HydrophobicContact CG2-SD 3.7Å; N575-M596 HydrophobicContact CB-CB 4.28Å; N575-M596 HydrophobicContact CB-CG 3.84Å; N575-M596 VanDerWaalsContact CG-CG 3.45Å; A579-M596 PolarHBondContact N-O 3.34Å; P586-M596 HydrophobicContact CB-CB 4.06Å; P586-M596 HydrophobicContact CB-CE 4.29Å; P586-M596 HydrophobicContact CG-CB 3.7Å; P586-M596 HydrophobicContact CG-CE 4.41Å; P586-M596 WeakPolarHBondContact O-CE 3.28Å; W588-M596 CarbonylContact O-C 3.59Å; W588-M596 WeakPolarHBondContact O-CA 3.39Å; W588-M596 WeakPolarHBondContact O-CE 3.48Å; A589-M596 HydrophobicContact CB-SD 3.6Å; A589-M596 VanDerWaalsContact CB-SD 3.6Å; M596-L618 HydrophobicContact CE-CD1 3.46Å; M596-L618 VanDerWaalsContact CE-CD1 3.46Å; M596-L618 HydrophobicContact CE-CD2 4.3Å; M596-L618 HydrophobicContact CE-CG 3.83Å; M596-L618 HydrophobicContact SD-CD2 4.49Å; M596-M631 HydrophobicContact CG-CE 3.84Å; M596-M631 HydrophobicContact SD-CE 3.63Å; M596-N636 PolarHBondContact N-OD1 2.72Å; M596-N636 PolarHBondContact O-ND2 3.07Å; M596-N636 PolarHBondContact O-OD1 2.65Å
597	V	97.9	Very high	96.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.7	-174.6	-62.1	0	0	0	0	111.9	A579 D580 P586 W588 C601 I615	A579-V597 HydrophobicContact CB-CG1 4.11Å; D580-V597 VanDerWaalsContact OD2-CG1 3.23Å; D580-V597 WeakPolarHBondContact OD2-CG1 2.97Å; P586-V597 VanDerWaalsContact CB-C 3.43Å; P586-V597 VanDerWaalsContact CB-O 3.29Å; P586-V597 WeakPolarHBondContact CB-O 3.41Å; W588-V597 HydrophobicContact CB-CG2 4.03Å; W588-V597 WeakPolarHBondContact CB-O 3.33Å; W588-V597 PolarHBondContact N-O 3.16Å; W588-V597 PolarHBondContact O-N 3.32Å; V597-C601 HydrophobicContact CB-CB 4.21Å; V597-I615 HydrophobicContact CG2-CD1 4.03Å
598	C	97.2	Very high	96.1	Very high	17 Å²	17	21.2 Å²	21.2	12%	0.115	11%	0.108	C	C	.	.			trans	-78.1	167	175.2	74.3	0	0	0	0	111.7	C578 A583 S600 C601 S602	C578-C598 HydrophobicContact CB-CB 4.03Å; C578-C598 PolarHBondContact SG-N 2.98Å; A583-C598 HydrophobicContact CB-CB 3.93Å; C598-S600 VanDerWaalsContact C-N 3.26Å; C598-S600 PolarHBondContact O-N 3.38Å; C598-C601 PolarHBondContact O-N 3.06Å; C598-C601 VanDerWaalsContact SG-SG 3.63Å; C598-S602 WeakPolarHBondContact O-CB 3.3Å; C598-S602 PolarHBondContact O-N 3.47Å
599	I	94.9	Very high	95.8	Very high	98 Å²	98	21 Å²	21	50%	0.503	12%	0.115	S	C	.	.	H	α-helix	trans	-57.2	-34.6	-178.8	-169.7	167.3	0	0	0	113.9	S602 G603	I599-S602 PolarHBondContact O-OG 3.5Å; I599-G603 PolarHBondContact O-N 2.81Å; I599-G603 VanDerWaalsContact O-N 3.14Å
600	S	95.2	Very high	95.5	Very high	44 Å²	44	26 Å²	26	31%	0.308	15%	0.145	S	C	.	.	H	α-helix	trans	-66.3	-48.8	178.3	-171.8	0	0	0	0	111.7	C598 G603	C598-S600 VanDerWaalsContact C-N 3.26Å; C598-S600 PolarHBondContact O-N 3.38Å; S600-G603 PolarHBondContact O-N 2.71Å
601	C	97.5	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.3	-38.2	177.7	-60.6	0	0	0	0	111.9	C581 V597 C598 G603 I604 H605 I695	C581-C601 VanDerWaalsContact SG-SG 3.69Å; V597-C601 HydrophobicContact CB-CB 4.21Å; C598-C601 PolarHBondContact O-N 3.06Å; C598-C601 VanDerWaalsContact SG-SG 3.63Å; C601-G603 PolarHBondContact O-N 2.85Å; C601-I604 WeakPolarHBondContact O-CA 3.41Å; C601-I604 WeakPolarHBondContact O-CB 2.97Å; C601-I604 PolarHBondContact O-N 3.48Å; C601-H605 PolarHBondContact O-CD2 3.18Å; C601-H605 VanDerWaalsContact O-CD2 3.3Å; C601-H605 PolarHBondContact O-N 2.96Å; C601-I695 HydrophobicContact CB-CD1 3.71Å
602	S	96.9	Very high	95	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-34.6	176	90.8	0	0	0	0	111.8	C598 I599 I604 H605 R606	C598-S602 WeakPolarHBondContact O-CB 3.3Å; C598-S602 PolarHBondContact O-N 3.47Å; I599-S602 PolarHBondContact O-OG 3.5Å; S602-I604 PolarHBondContact O-N 2.69Å; S602-H605 PolarHBondContact O-N 3.42Å; S602-R606 VanDerWaalsContact O-CG 3.28Å; S602-R606 WeakPolarHBondContact O-CG 3.37Å; S602-R606 PolarHBondContact O-N 3.47Å; S602-R606 VanDerWaalsContact O-N 3.08Å
603	G	94.4	Very high	95	Very high	21 Å²	21	33.3 Å²	33.3	22%	0.216	18%	0.18	C	C	.	.	H	α-helix	trans	-67.5	-13.4	171	0	0	0	0	0	115.4	I599 S600 C601 Q607 R688	I599-G603 PolarHBondContact O-N 2.81Å; I599-G603 VanDerWaalsContact O-N 3.14Å; S600-G603 PolarHBondContact O-N 2.71Å; C601-G603 PolarHBondContact O-N 2.85Å; G603-Q607 PolarHBondContact O-OE1 2.84Å; G603-R688 PolarHBondContact O-NH2 3.34Å
604	I	96.5	Very high	95	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-96.2	-44	172.1	-61.1	165.3	0	0	0	109.7	C601 S602 R606 Q607 L608 R688 K691 E692 I695	C601-I604 WeakPolarHBondContact O-CA 3.41Å; C601-I604 WeakPolarHBondContact O-CB 2.97Å; C601-I604 PolarHBondContact O-N 3.48Å; S602-I604 PolarHBondContact O-N 2.69Å; I604-R606 PolarHBondContact O-N 2.95Å; I604-Q607 WeakPolarHBondContact O-CA 3.42Å; I604-Q607 VanDerWaalsContact O-CB 3.32Å; I604-Q607 WeakPolarHBondContact O-CB 3.35Å; I604-Q607 PolarHBondContact O-N 2.97Å; I604-L608 PolarHBondContact O-N 2.82Å; I604-R688 HydrophobicContact CD1-CG 4.35Å; I604-K691 HydrophobicContact CD1-CB 3.7Å; I604-E692 HydrophobicContact CD1-CB 4.15Å; I604-E692 HydrophobicContact CG1-CB 4.5Å; I604-E692 HydrophobicContact CG2-CB 4.12Å; I604-E692 HydrophobicContact CG2-CG 3.96Å; I604-I695 HydrophobicContact CB-CD1 4.08Å; I604-I695 HydrophobicContact CB-CG2 4.43Å; I604-I695 HydrophobicContact CD1-CD1 3.91Å; I604-I695 HydrophobicContact CG2-CB 4.04Å; I604-I695 HydrophobicContact CG2-CD1 4.17Å; I604-I695 HydrophobicContact CG2-CG2 3.68Å
605	H	97.6	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-53.2	-38.9	174.1	-85.2	-115.3	0	0	0	112.9	D580 C601 S602 Q607 L608 S613 I615 Y699	D580-H605 IonicContact OD2-NE2 3.43Å; D580-H605 PolarHBondContact OD2-NE2 3.48Å; C601-H605 PolarHBondContact O-CD2 3.18Å; C601-H605 VanDerWaalsContact O-CD2 3.3Å; C601-H605 PolarHBondContact O-N 2.96Å; S602-H605 PolarHBondContact O-N 3.42Å; H605-Q607 PolarHBondContact O-N 3.45Å; H605-L608 WeakPolarHBondContact O-CB 3.18Å; H605-L608 PolarHBondContact O-N 3.29Å; H605-L608 VanDerWaalsContact O-N 3.09Å; H605-S613 WeakPolarHBondContact ND1-CB 3.43Å; H605-S613 PolarHBondContact ND1-OG 3.45Å; H605-I615 HydrophobicContact CB-CD1 3.59Å; H605-I615 HydrophobicContact CB-CG1 3.61Å; H605-Y699 AromaticContact CE1-CD2 3.64Å; H605-Y699 AromaticContact CE1-CE2 3.27Å; H605-Y699 WeakPolarHBondContact CE1-CE2 3.43Å; H605-Y699 AromaticContact CE1-CZ 3.87Å; H605-Y699 AromaticContact NE2-CD2 3.75Å; H605-Y699 AromaticContact NE2-CE2 3.33Å; H605-Y699 VanDerWaalsContact NE2-CE2 3.33Å; H605-Y699 WeakPolarHBondContact NE2-CE2 3.23Å
606	R	95.9	Very high	94.9	Very high	132 Å²	132	41.4 Å²	41.4	50%	0.498	21%	0.21	S	C	.	.	H	α-helix	trans	-59.1	-25.8	173	-73.8	171.4	-176.1	-78.1	3.9	113.9	S602 I604 I615	S602-R606 VanDerWaalsContact O-CG 3.28Å; S602-R606 WeakPolarHBondContact O-CG 3.37Å; S602-R606 PolarHBondContact O-N 3.47Å; S602-R606 VanDerWaalsContact O-N 3.08Å; I604-R606 PolarHBondContact O-N 2.95Å; R606-I615 HydrophobicContact CG-CB 4.21Å; R606-I615 HydrophobicContact CG-CG1 4.24Å; R606-I615 HydrophobicContact CG-CG2 4.44Å
607	Q	93.9	Very high	94.8	Very high	69 Å²	69	41.5 Å²	41.5	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-87.2	-14	177.4	-61	172.3	-55.3	0	0	113.2	Q384 G603 I604 H605	Q384-Q607 VanDerWaalsContact OE1-NE2 3.13Å; G603-Q607 PolarHBondContact O-OE1 2.84Å; I604-Q607 WeakPolarHBondContact O-CA 3.42Å; I604-Q607 VanDerWaalsContact O-CB 3.32Å; I604-Q607 WeakPolarHBondContact O-CB 3.35Å; I604-Q607 PolarHBondContact O-N 2.97Å; H605-Q607 PolarHBondContact O-N 3.45Å
608	L	92.7	Very high	94.4	Very high	11 Å²	11	41.6 Å²	41.6	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-73.9	-31.6	170.2	-52	-178.2	0	0	0	111.4	I604 H605 H611 I612 I695 R696 Q700	I604-L608 PolarHBondContact O-N 2.82Å; H605-L608 WeakPolarHBondContact O-CB 3.18Å; H605-L608 PolarHBondContact O-N 3.29Å; H605-L608 VanDerWaalsContact O-N 3.09Å; L608-H611 PolarHBondContact O-CE1 3.43Å; L608-I612 HydrophobicContact CB-CB 4.02Å; L608-I612 HydrophobicContact CB-CD1 4.19Å; L608-I612 HydrophobicContact CB-CG2 4.12Å; L608-I612 HydrophobicContact CD1-CG2 3.88Å; L608-I695 HydrophobicContact CD1-CG2 3.9Å; L608-R696 HydrophobicContact CD2-CG 3.95Å; L608-Q700 HydrophobicContact CD2-CB 4.4Å
609	G	89.7	Confident	93.9	Very high	23 Å²	23	44.2 Å²	44.2	24%	0.237	22%	0.222	C	C	.	.			trans	95.2	159.9	179.6	0	0	0	0	0	114.1	H611 I612 S613	G609-H611 PolarHBondContact O-N 3.43Å; G609-I612 PolarHBondContact O-N 2.77Å; G609-S613 PolarHBondContact O-N 3.05Å
610	T	91.9	Very high	93.6	Very high	105 Å²	105	42.5 Å²	42.5	64%	0.644	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.1	-169.6	50.1	0	0	0	0	115.7	S613 R614	T610-S613 WeakPolarHBondContact CA-O 3.22Å; T610-R614 WeakPolarHBondContact O-CG 3.41Å; T610-R614 PolarHBondContact O-NE 3.43Å
611	H	87.9	Confident	93.3	Very high	137 Å²	137	43.4 Å²	43.4	63%	0.634	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-17.3	172	67.3	-74.4	0	0	0	112.6	L608 G609	L608-H611 PolarHBondContact O-CE1 3.43Å; G609-H611 PolarHBondContact O-N 3.43Å
612	I	92.5	Very high	92.8	Very high	30 Å²	30	52.5 Å²	52.5	15%	0.154	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-45.4	174	-58.5	175.9	0	0	0	110.5	N592 L608 G609 Q700	N592-I612 PolarHBondContact ND2-O 2.91Å; L608-I612 HydrophobicContact CB-CB 4.02Å; L608-I612 HydrophobicContact CB-CD1 4.19Å; L608-I612 HydrophobicContact CB-CG2 4.12Å; L608-I612 HydrophobicContact CD1-CG2 3.88Å; G609-I612 PolarHBondContact O-N 2.77Å; I612-Q700 HydrophobicContact CD1-CB 4.22Å; I612-Q700 HydrophobicContact CD1-CG 4.09Å
613	S	95.8	Very high	92.4	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.028	26%	0.263	C	S	.	.			trans	-142.9	131.8	-177.5	-180	0	0	0	0	113.3	S590 N592 H605 G609 T610	S590-S613 WeakPolarHBondContact CB-OG 3.49Å; S590-S613 PolarHBondContact OG-OG 2.93Å; N592-S613 WeakPolarHBondContact OD1-CA 3.47Å; H605-S613 WeakPolarHBondContact ND1-CB 3.43Å; H605-S613 PolarHBondContact ND1-OG 3.45Å; G609-S613 PolarHBondContact O-N 3.05Å; T610-S613 WeakPolarHBondContact CA-O 3.22Å
614	R	95.2	Very high	92.1	Very high	64 Å²	64	55.2 Å²	55.2	24%	0.242	27%	0.267	C	S	.	.			trans	-111.6	85.9	-179.5	-63.3	-176.4	-175.1	172.7	9.3	110.2	L591 N592 T610 W773	L591-R614 HydrophobicContact CB-CB 4.37Å; L591-R614 PolarHBondContact N-O 3.48Å; N592-R614 PolarHBondContact OD1-N 2.73Å; T610-R614 WeakPolarHBondContact O-CG 3.41Å; T610-R614 PolarHBondContact O-NE 3.43Å; R614-W773 VanDerWaalsContact CZ-O 3.29Å; R614-W773 VanDerWaalsContact NH1-CA 3.34Å; R614-W773 VanDerWaalsContact NH1-CD1 3.27Å; R614-W773 PolarHBondContact NH1-O 3.09Å; R614-W773 PolarHBondContact NH2-O 2.79Å
615	I	97	Very high	91.6	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.046	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.1	-176.4	-65.5	-63.6	0	0	0	112.8	W588 A589 V597 H605 R606	W588-I615 HydrophobicContact CE3-CG2 3.65Å; W588-I615 HydrophobicContact CZ3-CG2 4.28Å; A589-I615 CarbonylContact O-C 3.53Å; A589-I615 VanDerWaalsContact O-CA 3.26Å; A589-I615 WeakPolarHBondContact O-CA 3.35Å; V597-I615 HydrophobicContact CG2-CD1 4.03Å; H605-I615 HydrophobicContact CB-CD1 3.59Å; H605-I615 HydrophobicContact CB-CG1 3.61Å; R606-I615 HydrophobicContact CG-CB 4.21Å; R606-I615 HydrophobicContact CG-CG1 4.24Å; R606-I615 HydrophobicContact CG-CG2 4.44Å
616	R	95	Very high	91.3	Very high	102 Å²	102	60.1 Å²	60.1	39%	0.385	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.5	165.9	-70	-65.8	-179.7	-88.5	5.6	110.7	W588 A589 L591 D621 W623	W588-R616 CarbonylContact C-O 3.31Å; W588-R616 VanDerWaalsContact CA-O 3.31Å; W588-R616 WeakPolarHBondContact CA-O 3.38Å; A589-R616 PolarHBondContact N-O 3.5Å; A589-R616 PolarHBondContact O-N 3.17Å; L591-R616 HydrophobicContact CD1-CG 3.75Å; L591-R616 HydrophobicContact CD2-CB 4.5Å; L591-R616 HydrophobicContact CD2-CG 4.25Å; L591-R616 HydrophobicContact CG-CG 3.95Å; R616-D621 VanDerWaalsContact CA-OD2 3.26Å; R616-D621 WeakPolarHBondContact CA-OD2 3.37Å; R616-D621 HydrophobicContact CB-CB 4.4Å; R616-D621 WeakPolarHBondContact CD-OD2 3.46Å; R616-W623 HydrophobicContact CB-CH2 4.4Å; R616-W623 HydrophobicContact CB-CZ2 3.89Å
617	S	94.7	Very high	91.1	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.2	165.1	179.9	0	0	0	0	110.2	D587 W588 H619 L620 D621 W623	D587-S617 WeakPolarHBondContact O-CA 3.24Å; D587-S617 PolarHBondContact O-OG 3.22Å; W588-S617 VanDerWaalsContact CZ3-CB 3.49Å; S617-H619 PolarHBondContact O-N 2.78Å; S617-H619 PolarHBondContact OG-N 2.97Å; S617-H619 VanDerWaalsContact OG-N 3.09Å; S617-L620 PolarHBondContact OG-N 3.15Å; S617-D621 PolarHBondContact N-OD2 2.56Å; S617-W623 PolarHBondContact O-NE1 2.75Å
618	L	91	Very high	91	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.2	167	-69.9	175	0	0	0	112.1	I566 I569 R570 D587 M596 W623	I566-L618 WeakPolarHBondContact CD1-O 3.4Å; I566-L618 HydrophobicContact CG1-CB 4.33Å; I566-L618 HydrophobicContact CG1-CD2 4.44Å; I566-L618 HydrophobicContact CG2-CB 4.37Å; I566-L618 HydrophobicContact CG2-CD1 4.18Å; I566-L618 HydrophobicContact CG2-CD2 4.45Å; I569-L618 HydrophobicContact CB-CD2 4.21Å; I569-L618 HydrophobicContact CD1-CD2 3.64Å; I569-L618 HydrophobicContact CG2-CD2 4.02Å; R570-L618 HydrophobicContact CG-CD1 4.48Å; D587-L618 PolarHBondContact O-N 2.99Å; M596-L618 HydrophobicContact CE-CD1 3.46Å; M596-L618 VanDerWaalsContact CE-CD1 3.46Å; M596-L618 HydrophobicContact CE-CD2 4.3Å; M596-L618 HydrophobicContact CE-CG 3.83Å; M596-L618 HydrophobicContact SD-CD2 4.49Å; L618-W623 HydrophobicContact CD2-CH2 4.41Å; L618-W623 HydrophobicContact CD2-CZ2 3.91Å
619	H	86.9	Confident	91	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.329	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-18.9	-169.5	-54.2	-66.1	0	0	0	114.5	K504 R570 D587 S617	K504-H619 WeakPolarHBondContact CD-O 3.41Å; K504-H619 PolarHBondContact NZ-O 2.77Å; R570-H619 PolarHBondContact NH2-NE2 2.84Å; D587-H619 IonicContact OD1-CD2 3.67Å; D587-H619 PolarHBondContact OD1-CD2 3.36Å; D587-H619 IonicContact OD1-NE2 3.41Å; D587-H619 PolarHBondContact OD1-NE2 2.85Å; D587-H619 IonicContact OD2-CD2 3.68Å; D587-H619 IonicContact OD2-NE2 2.63Å; D587-H619 PolarHBondContact OD2-NE2 3.46Å; S617-H619 PolarHBondContact O-N 2.78Å; S617-H619 PolarHBondContact OG-N 2.97Å; S617-H619 VanDerWaalsContact OG-N 3.09Å
620	L	86.6	Confident	91.3	Very high	62 Å²	62	52.2 Å²	52.2	33%	0.325	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-21.6	-173.4	-55.1	-179.1	0	0	0	114.9	E501 K504 W588 S617	E501-L620 HydrophobicContact CG-CD1 4.47Å; K504-L620 HydrophobicContact CD-CD2 3.89Å; W588-L620 HydrophobicContact CH2-CD1 3.9Å; W588-L620 HydrophobicContact CZ2-CD1 4.06Å; S617-L620 PolarHBondContact OG-N 3.15Å
621	D	90.2	Very high	91.5	Very high	63 Å²	63	47.2 Å²	47.2	34%	0.337	24%	0.235	S	C	.	.	S	Bend	trans	-114.4	161.8	-178.3	-62.7	-63.4	0	0	0	111.9	R616 S617 W623	R616-D621 VanDerWaalsContact CA-OD2 3.26Å; R616-D621 WeakPolarHBondContact CA-OD2 3.37Å; R616-D621 HydrophobicContact CB-CB 4.4Å; R616-D621 WeakPolarHBondContact CD-OD2 3.46Å; S617-D621 PolarHBondContact N-OD2 2.56Å; D621-W623 VanDerWaalsContact O-CD1 3.32Å
622	E	86.7	Confident	91.7	Very high	191 Å²	191	42.5 Å²	42.5	89%	0.893	22%	0.218	S	C	*	.			trans	-78.9	146.7	172.2	-70.4	161.5	-150	0	0	111.8
623	W	88.5	Confident	91.8	Very high	39 Å²	39	43.4 Å²	43.4	15%	0.148	23%	0.229	C	C	.	.			trans	-123.4	121.9	-174.2	-78.1	85.1	0	0	0	112.2	I569 A589 L591 R616 S617 L618 D621 V628 M631	I569-W623 HydrophobicContact CD1-CD2 4.08Å; I569-W623 HydrophobicContact CD1-CE3 3.65Å; I569-W623 HydrophobicContact CD1-CH2 3.84Å; I569-W623 HydrophobicContact CD1-CZ2 4.27Å; I569-W623 HydrophobicContact CD1-CZ3 3.52Å; A589-W623 HydrophobicContact CB-CH2 3.61Å; A589-W623 HydrophobicContact CB-CZ2 4.05Å; L591-W623 HydrophobicContact CD2-CE3 4.33Å; L591-W623 HydrophobicContact CD2-CH2 3.57Å; L591-W623 HydrophobicContact CD2-CZ3 3.43Å; L591-W623 VanDerWaalsContact CD2-CZ3 3.43Å; R616-W623 HydrophobicContact CB-CH2 4.4Å; R616-W623 HydrophobicContact CB-CZ2 3.89Å; S617-W623 PolarHBondContact O-NE1 2.75Å; L618-W623 HydrophobicContact CD2-CH2 4.41Å; L618-W623 HydrophobicContact CD2-CZ2 3.91Å; D621-W623 VanDerWaalsContact O-CD1 3.32Å; W623-V628 HydrophobicContact CB-CG2 4.21Å; W623-V628 HydrophobicContact CE3-CG2 4.09Å; W623-M631 HydrophobicContact CH2-CG 4.09Å; W623-M631 HydrophobicContact CZ3-CG 3.77Å
624	S	87.7	Confident	91.8	Very high	43 Å²	43	43.7 Å²	43.7	30%	0.301	23%	0.23	S	C	.	.			trans	-82.6	153.2	172.5	92.6	0	0	0	0	111.2	E626 S627 V628	S624-E626 WeakPolarHBondContact CB-OE2 3.5Å; S624-E626 PolarHBondContact O-N 2.84Å; S624-E626 PolarHBondContact OG-OE2 2.77Å; S624-S627 WeakPolarHBondContact O-CB 3.37Å; S624-S627 PolarHBondContact O-N 2.79Å; S624-S627 VanDerWaalsContact O-N 3.1Å; S624-S627 WeakPolarHBondContact OG-CB 3.44Å; S624-S627 PolarHBondContact OG-N 2.96Å; S624-S627 VanDerWaalsContact OG-N 3.11Å; S624-S627 PolarHBondContact OG-OG 3.17Å; S624-V628 WeakPolarHBondContact O-CG2 3.45Å; S624-V628 PolarHBondContact O-N 2.96Å
625	T	87.3	Confident	91.8	Very high	90 Å²	90	40.6 Å²	40.6	55%	0.552	22%	0.219	S	C	*	.	H	α-helix	trans	-60.9	-32.7	179	48.9	0	0	0	0	112.3	S629	T625-S629 WeakPolarHBondContact O-CB 3.39Å; T625-S629 PolarHBondContact O-N 3.32Å; T625-S629 PolarHBondContact O-OG 2.97Å
626	E	89.8	Confident	91.8	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-73.1	-37	176.3	-44.9	91.1	163.8	0	0	111.3	S624 S629 V630 L765 Q769 F803 R806	S624-E626 WeakPolarHBondContact CB-OE2 3.5Å; S624-E626 PolarHBondContact O-N 2.84Å; S624-E626 PolarHBondContact OG-OE2 2.77Å; E626-S629 WeakPolarHBondContact O-CB 3.48Å; E626-S629 PolarHBondContact O-N 2.81Å; E626-V630 WeakPolarHBondContact O-CG2 3.21Å; E626-V630 PolarHBondContact O-N 2.86Å; E626-L765 HydrophobicContact CB-CG 4.5Å; E626-L765 HydrophobicContact CG-CD1 4.19Å; E626-L765 HydrophobicContact CG-CD2 3.92Å; E626-L765 HydrophobicContact CG-CG 4.14Å; E626-Q769 HydrophobicContact CB-CG 4.28Å; E626-F803 HydrophobicContact CB-CE2 4.04Å; E626-F803 HydrophobicContact CG-CD2 3.68Å; E626-F803 HydrophobicContact CG-CE2 3.64Å; E626-R806 IonicContact OE1-CZ 2.77Å; E626-R806 IonicContact OE1-NH1 2.76Å; E626-R806 PolarHBondContact OE1-NH1 2.72Å; E626-R806 IonicContact OE1-NH2 2.99Å
627	S	92.3	Very high	91.9	Very high	15 Å²	15	39.5 Å²	39.5	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-42.3	174.6	-57.3	0	0	0	0	111.8	S624 M631	S624-S627 WeakPolarHBondContact O-CB 3.37Å; S624-S627 PolarHBondContact O-N 2.79Å; S624-S627 VanDerWaalsContact O-N 3.1Å; S624-S627 WeakPolarHBondContact OG-CB 3.44Å; S624-S627 PolarHBondContact OG-N 2.96Å; S624-S627 VanDerWaalsContact OG-N 3.11Å; S624-S627 PolarHBondContact OG-OG 3.17Å; S627-M631 WeakPolarHBondContact O-CG 3.35Å; S627-M631 PolarHBondContact O-N 3.41Å
628	V	92.7	Very high	92	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-47.4	171.5	174.6	0	0	0	0	110	L565 I569 W623 S624 V630 M631 S632	L565-V628 HydrophobicContact CB-CG2 4.08Å; L565-V628 HydrophobicContact CD2-CB 4.49Å; L565-V628 HydrophobicContact CD2-CG1 4.08Å; L565-V628 HydrophobicContact CD2-CG2 4.18Å; L565-V628 HydrophobicContact CG-CG2 4.49Å; I569-V628 HydrophobicContact CD1-CG2 4.17Å; I569-V628 HydrophobicContact CG1-CG1 4.14Å; W623-V628 HydrophobicContact CB-CG2 4.21Å; W623-V628 HydrophobicContact CE3-CG2 4.09Å; S624-V628 WeakPolarHBondContact O-CG2 3.45Å; S624-V628 PolarHBondContact O-N 2.96Å; V628-V630 VanDerWaalsContact C-N 3.33Å; V628-V630 PolarHBondContact O-N 2.65Å; V628-M631 PolarHBondContact O-N 2.83Å; V628-M631 VanDerWaalsContact O-N 3.1Å; V628-S632 PolarHBondContact O-N 2.86Å; V628-S632 PolarHBondContact O-OG 2.91Å
629	S	92.7	Very high	92.2	Very high	47 Å²	47	41.5 Å²	41.5	33%	0.329	23%	0.234	S	C	.	.	H	α-helix	trans	-57	-42	-180	-60.8	0	0	0	0	112.9	T625 E626 A633	T625-S629 WeakPolarHBondContact O-CB 3.39Å; T625-S629 PolarHBondContact O-N 3.32Å; T625-S629 PolarHBondContact O-OG 2.97Å; E626-S629 WeakPolarHBondContact O-CB 3.48Å; E626-S629 PolarHBondContact O-N 2.81Å; S629-A633 WeakPolarHBondContact O-CB 3.18Å; S629-A633 PolarHBondContact O-N 3.33Å
630	V	95.1	Very high	92.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-43	175.9	178.2	0	0	0	0	111.5	E626 V628 A633 I634 V766 Q769 L770 W773	E626-V630 WeakPolarHBondContact O-CG2 3.21Å; E626-V630 PolarHBondContact O-N 2.86Å; V628-V630 VanDerWaalsContact C-N 3.33Å; V628-V630 PolarHBondContact O-N 2.65Å; V630-A633 PolarHBondContact O-N 3.49Å; V630-I634 HydrophobicContact CG1-CD1 3.83Å; V630-I634 WeakPolarHBondContact O-CG1 3.06Å; V630-I634 PolarHBondContact O-N 2.89Å; V630-V766 HydrophobicContact CB-CG1 4.5Å; V630-V766 HydrophobicContact CG2-CB 4.43Å; V630-V766 HydrophobicContact CG2-CG1 4.1Å; V630-V766 HydrophobicContact CG2-CG2 4.5Å; V630-Q769 HydrophobicContact CG2-CB 3.86Å; V630-Q769 HydrophobicContact CG2-CG 3.78Å; V630-L770 HydrophobicContact CG1-CD2 3.79Å; V630-L770 HydrophobicContact CG1-CG 4.09Å; V630-L770 HydrophobicContact CG2-CG 4.46Å; V630-W773 HydrophobicContact CB-CH2 4.38Å; V630-W773 HydrophobicContact CB-CZ3 4.09Å; V630-W773 HydrophobicContact CG1-CZ3 3.91Å; V630-W773 HydrophobicContact CG2-CH2 4.27Å; V630-W773 HydrophobicContact CG2-CZ3 4.03Å
631	M	95.7	Very high	93.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-40.2	179.7	-72.2	-58.4	-52.8	0	0	112.6	I569 A589 L591 M596 W623 S627 V628 G635	I569-M631 HydrophobicContact CD1-CB 4.42Å; I569-M631 HydrophobicContact CG1-CB 3.97Å; I569-M631 HydrophobicContact CG2-CB 4.02Å; I569-M631 HydrophobicContact CG2-CE 4.26Å; A589-M631 HydrophobicContact CB-CE 3.86Å; A589-M631 HydrophobicContact CB-SD 4.12Å; L591-M631 HydrophobicContact CD2-CG 4.33Å; M596-M631 HydrophobicContact CG-CE 3.84Å; M596-M631 HydrophobicContact SD-CE 3.63Å; W623-M631 HydrophobicContact CH2-CG 4.09Å; W623-M631 HydrophobicContact CZ3-CG 3.77Å; S627-M631 WeakPolarHBondContact O-CG 3.35Å; S627-M631 PolarHBondContact O-N 3.41Å; V628-M631 PolarHBondContact O-N 2.83Å; V628-M631 VanDerWaalsContact O-N 3.1Å; M631-G635 PolarHBondContact O-N 2.81Å
632	S	92.9	Very high	93.3	Very high	39 Å²	39	35.3 Å²	35.3	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-73.7	-25.7	177.2	-59.8	0	0	0	0	113.5	S568 V628	S568-S632 PolarHBondContact O-OG 2.85Å; S568-S632 PolarHBondContact OG-OG 2.99Å; V628-S632 PolarHBondContact O-N 2.86Å; V628-S632 PolarHBondContact O-OG 2.91Å
633	A	93.8	Very high	93.7	Very high	48 Å²	48	26.6 Å²	26.6	40%	0.397	17%	0.166	S	C	.	.	H	α-helix	trans	-86.3	-12.2	180	0	0	0	0	0	114.7	S629 V630 V766	S629-A633 WeakPolarHBondContact O-CB 3.18Å; S629-A633 PolarHBondContact O-N 3.33Å; V630-A633 PolarHBondContact O-N 3.49Å; A633-V766 HydrophobicContact CB-CG1 4.04Å; A633-V766 HydrophobicContact CB-CG2 3.94Å
634	I	95.7	Very high	93.9	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-111.3	-75.7	179.9	-60.2	176.8	0	0	0	110.1	V630 L638 A639 T728 I732 L770	V630-I634 HydrophobicContact CG1-CD1 3.83Å; V630-I634 WeakPolarHBondContact O-CG1 3.06Å; V630-I634 PolarHBondContact O-N 2.89Å; I634-L638 HydrophobicContact CG2-CB 4.27Å; I634-L638 HydrophobicContact CG2-CD2 4.4Å; I634-L638 WeakPolarHBondContact O-CB 3.49Å; I634-A639 HydrophobicContact CG2-CB 4.09Å; I634-T728 HydrophobicContact CG1-CG2 4.36Å; I634-I732 HydrophobicContact CD1-CD1 4.01Å; I634-I732 HydrophobicContact CD1-CG1 4.35Å; I634-I732 HydrophobicContact CG1-CD1 4.08Å; I634-I732 HydrophobicContact CG2-CD1 3.78Å; I634-L770 HydrophobicContact CD1-CD1 4.25Å; I634-L770 HydrophobicContact CD1-CD2 4.31Å
635	G	95.7	Very high	94	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	68	161.1	-173	0	0	0	0	0	114.4	N575 G594 M631 T637 L638 A639	N575-G635 WeakPolarHBondContact OD1-CA 3.31Å; G594-G635 PolarHBondContact O-N 3.39Å; M631-G635 PolarHBondContact O-N 2.81Å; G635-T637 VanDerWaalsContact C-N 3.3Å; G635-T637 PolarHBondContact O-N 3.08Å; G635-L638 PolarHBondContact O-N 3.27Å; G635-A639 WeakPolarHBondContact O-CB 3.42Å; G635-A639 PolarHBondContact O-N 3.41Å
636	N	97.3	Very high	93.9	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-32.8	-173.6	-76.1	-13.3	0	0	0	114.4	A573 G574 N575 F577 A579 A595 M596 N640	A573-N636 PolarHBondContact O-N 3.14Å; G574-N636 WeakPolarHBondContact O-CB 3.38Å; G574-N636 PolarHBondContact O-ND2 3.09Å; N575-N636 PolarHBondContact OD1-N 3.29Å; F577-N636 PolarHBondContact O-ND2 2.73Å; A579-N636 WeakPolarHBondContact CB-OD1 3.09Å; A579-N636 PolarHBondContact N-ND2 2.89Å; A595-N636 WeakPolarHBondContact CA-OD1 3.36Å; A595-N636 WeakPolarHBondContact CB-OD1 3.3Å; M596-N636 PolarHBondContact N-OD1 2.72Å; M596-N636 PolarHBondContact O-ND2 3.07Å; M596-N636 PolarHBondContact O-OD1 2.65Å; N636-N640 VanDerWaalsContact O-CB 3.28Å; N636-N640 WeakPolarHBondContact O-CB 3.27Å; N636-N640 PolarHBondContact O-N 2.96Å
637	T	96.1	Very high	93.6	Very high	84 Å²	84	25.6 Å²	25.6	52%	0.515	17%	0.173	S	C	.	.	H	α-helix	trans	-63.5	-45.9	177	-63.7	0	0	0	0	111.2	A573 G574 G635 S641	A573-T637 WeakPolarHBondContact O-CB 3.29Å; A573-T637 PolarHBondContact O-N 3.41Å; A573-T637 PolarHBondContact O-OG1 3.06Å; G574-T637 PolarHBondContact N-OG1 2.7Å; G635-T637 VanDerWaalsContact C-N 3.3Å; G635-T637 PolarHBondContact O-N 3.08Å; T637-S641 WeakPolarHBondContact O-CB 3.26Å; T637-S641 PolarHBondContact O-N 3.25Å
638	L	96.4	Very high	92.4	Very high	46 Å²	46	27.2 Å²	27.2	24%	0.241	18%	0.184	C	C	.	.	H	α-helix	trans	-71	-42.7	177.8	-170.7	64.7	0	0	0	111.2	I634 G635 S641 T728 R729 I732	I634-L638 HydrophobicContact CG2-CB 4.27Å; I634-L638 HydrophobicContact CG2-CD2 4.4Å; I634-L638 WeakPolarHBondContact O-CB 3.49Å; G635-L638 PolarHBondContact O-N 3.27Å; L638-S641 WeakPolarHBondContact O-CB 3.33Å; L638-S641 PolarHBondContact O-N 3.29Å; L638-S641 PolarHBondContact O-OG 3.47Å; L638-T728 HydrophobicContact CD2-CG2 3.67Å; L638-R729 HydrophobicContact CD1-CB 4.06Å; L638-R729 HydrophobicContact CD1-CG 4.33Å; L638-I732 HydrophobicContact CD2-CD1 4.02Å; L638-I732 HydrophobicContact CG-CD1 4.18Å
639	A	96.8	Very high	90.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-50.8	178.5	0	0	0	0	0	111.6	A595 I634 G635 S641 V642 W643	A595-A639 HydrophobicContact CB-CB 4.13Å; I634-A639 HydrophobicContact CG2-CB 4.09Å; G635-A639 WeakPolarHBondContact O-CB 3.42Å; G635-A639 PolarHBondContact O-N 3.41Å; A639-S641 VanDerWaalsContact C-N 3.31Å; A639-S641 PolarHBondContact O-N 2.98Å; A639-V642 PolarHBondContact O-N 3.14Å; A639-V642 VanDerWaalsContact O-N 3.09Å; A639-W643 WeakPolarHBondContact O-CB 3.23Å; A639-W643 VanDerWaalsContact O-CD1 3.27Å; A639-W643 PolarHBondContact O-N 2.78Å
640	N	96	Very high	88.8	Confident	26 Å²	26	36.6 Å²	36.6	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-26.9	178.4	-70.7	-16.2	0	0	0	112.5	A579 N636 V642 E644 K681 K698	A579-N640 PolarHBondContact O-ND2 3Å; A579-N640 PolarHBondContact O-OD1 3.19Å; N636-N640 VanDerWaalsContact O-CB 3.28Å; N636-N640 WeakPolarHBondContact O-CB 3.27Å; N636-N640 PolarHBondContact O-N 2.96Å; N640-V642 PolarHBondContact O-N 2.91Å; N640-E644 HydrophobicContact CB-CB 4.37Å; N640-E644 HydrophobicContact CB-CG 4.05Å; N640-E644 VanDerWaalsContact CG-CD 3.45Å; N640-E644 PolarHBondContact ND2-OE2 3.23Å; N640-E644 WeakPolarHBondContact O-CA 3.42Å; N640-E644 WeakPolarHBondContact O-CB 3.31Å; N640-E644 PolarHBondContact O-N 3.22Å; N640-E644 PolarHBondContact OD1-OE1 2.82Å; N640-K681 PolarHBondContact ND2-NZ 2.72Å; N640-K698 PolarHBondContact OD1-NZ 3.49Å
641	S	94.9	Very high	85.9	Confident	41 Å²	41	39.5 Å²	39.5	29%	0.287	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-12.7	170.6	86.7	0	0	0	0	114	T637 L638 A639 A645 R729	T637-S641 WeakPolarHBondContact O-CB 3.26Å; T637-S641 PolarHBondContact O-N 3.25Å; L638-S641 WeakPolarHBondContact O-CB 3.33Å; L638-S641 PolarHBondContact O-N 3.29Å; L638-S641 PolarHBondContact O-OG 3.47Å; A639-S641 VanDerWaalsContact C-N 3.31Å; A639-S641 PolarHBondContact O-N 2.98Å; S641-A645 WeakPolarHBondContact O-CB 3.46Å; S641-R729 VanDerWaalsContact O-CZ 3.28Å; S641-R729 PolarHBondContact O-NE 3.4Å; S641-R729 PolarHBondContact O-NH2 3.24Å; S641-R729 PolarHBondContact OG-NE 2.92Å
642	V	95	Very high	82.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-110.2	-55.4	172	-177.9	0	0	0	0	110.6	A639 N640 E644 A645 L705 P706 R729 I732 L733	A639-V642 PolarHBondContact O-N 3.14Å; A639-V642 VanDerWaalsContact O-N 3.09Å; N640-V642 PolarHBondContact O-N 2.91Å; V642-E644 PolarHBondContact O-N 2.87Å; V642-A645 PolarHBondContact O-N 2.91Å; V642-L705 HydrophobicContact CG1-CD2 3.86Å; V642-P706 WeakPolarHBondContact O-CD 3.45Å; V642-R729 HydrophobicContact CG2-CG 3.44Å; V642-R729 VanDerWaalsContact CG2-CG 3.44Å; V642-I732 HydrophobicContact CB-CG2 4.17Å; V642-I732 HydrophobicContact CG1-CG2 4.12Å; V642-I732 HydrophobicContact CG2-CB 4.35Å; V642-I732 HydrophobicContact CG2-CG2 4.17Å; V642-L733 HydrophobicContact CG1-CB 3.91Å; V642-L733 HydrophobicContact CG1-CD1 4.04Å
643	W	95.5	Very high	79.6	Confident	8 Å²	8	48 Å²	48	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-73.8	-6.9	-174	-69.8	105.8	0	0	0	114.8	L593 A639 K698 Y699 R702 F704 L705 A736	L593-W643 HydrophobicContact CD2-CH2 4.41Å; L593-W643 HydrophobicContact CD2-CZ2 3.58Å; A639-W643 WeakPolarHBondContact O-CB 3.23Å; A639-W643 VanDerWaalsContact O-CD1 3.27Å; A639-W643 PolarHBondContact O-N 2.78Å; W643-K698 HydrophobicContact CB-CG 4.22Å; W643-K698 VanDerWaalsContact CE3-O 3.3Å; W643-K698 WeakPolarHBondContact O-CG 3Å; W643-Y699 HydrophobicContact CB-CE1 4.11Å; W643-Y699 AromaticContact CD2-CD1 3.68Å; W643-Y699 HydrophobicContact CD2-CD1 3.68Å; W643-Y699 AromaticContact CD2-CE1 3.72Å; W643-Y699 HydrophobicContact CD2-CE1 3.72Å; W643-Y699 AromaticContact CE3-CD1 3.58Å; W643-Y699 HydrophobicContact CE3-CD1 3.58Å; W643-Y699 HydrophobicContact CE3-CE1 4.07Å; W643-Y699 HydrophobicContact CG-CD1 4.21Å; W643-Y699 AromaticContact CG-CE1 3.75Å; W643-Y699 HydrophobicContact CG-CE1 3.75Å; W643-Y699 HydrophobicContact CH2-CD1 4.28Å; W643-Y699 HydrophobicContact CZ2-CD1 4.37Å; W643-Y699 AromaticContact CZ3-CD1 3.9Å; W643-Y699 HydrophobicContact CZ3-CD1 3.9Å; W643-R702 HydrophobicContact CZ3-CG 4.4Å; W643-F704 WeakPolarHBondContact O-CB 3.12Å; W643-L705 HydrophobicContact CD2-CD2 4.14Å; W643-L705 HydrophobicContact CE3-CD2 3.76Å; W643-L705 HydrophobicContact CE3-CG 4.39Å; W643-L705 HydrophobicContact CZ3-CD1 4.48Å; W643-L705 HydrophobicContact CZ3-CD2 4.11Å; W643-L705 HydrophobicContact CZ3-CG 4.45Å; W643-A736 HydrophobicContact CH2-CB 3.52Å; W643-A736 HydrophobicContact CZ2-CB 3.51Å; W643-A736 HydrophobicContact CZ3-CB 4.23Å
644	E	93.3	Very high	76.5	Confident	35 Å²	35	52 Å²	52	16%	0.164	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	15.4	176	-52.9	-176.4	162	0	0	111.5	N640 V642 A646 A647 K681 W694 K698	N640-E644 HydrophobicContact CB-CB 4.37Å; N640-E644 HydrophobicContact CB-CG 4.05Å; N640-E644 VanDerWaalsContact CG-CD 3.45Å; N640-E644 PolarHBondContact ND2-OE2 3.23Å; N640-E644 WeakPolarHBondContact O-CA 3.42Å; N640-E644 WeakPolarHBondContact O-CB 3.31Å; N640-E644 PolarHBondContact O-N 3.22Å; N640-E644 PolarHBondContact OD1-OE1 2.82Å; V642-E644 PolarHBondContact O-N 2.87Å; E644-A646 VanDerWaalsContact C-N 3.3Å; E644-A646 PolarHBondContact O-N 3.15Å; E644-A647 HydrophobicContact CB-CB 4.07Å; E644-A647 VanDerWaalsContact O-CB 3.31Å; E644-A647 WeakPolarHBondContact O-CB 3.49Å; E644-A647 PolarHBondContact O-N 3.33Å; E644-A647 VanDerWaalsContact O-N 3.09Å; E644-K681 VanDerWaalsContact OE1-CE 3.29Å; E644-K681 WeakPolarHBondContact OE1-CE 3.24Å; E644-K681 IonicContact OE1-NZ 2.65Å; E644-K681 PolarHBondContact OE1-NZ 2.75Å; E644-K681 IonicContact OE2-NZ 3.11Å; E644-K681 PolarHBondContact OE2-NZ 2.84Å; E644-W694 HydrophobicContact CG-CZ2 4.16Å; E644-W694 WeakPolarHBondContact OE1-CZ2 3.3Å; E644-K698 HydrophobicContact CG-CD 4.17Å; E644-K698 WeakPolarHBondContact OE1-CE 3.49Å; E644-K698 IonicContact OE1-NZ 3.65Å; E644-K698 PolarHBondContact OE1-NZ 2.96Å
645	A	89.5	Confident	73.2	Confident	49 Å²	49	62.5 Å²	62.5	41%	0.405	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.7	-170.8	0	0	0	0	0	114.1	S641 V642 F704 P706	S641-A645 WeakPolarHBondContact O-CB 3.46Å; V642-A645 PolarHBondContact O-N 2.91Å; A645-F704 PolarHBondContact N-O 2.74Å; A645-P706 HydrophobicContact CB-CB 4.05Å; A645-P706 HydrophobicContact CB-CG 3.93Å
646	A	84.6	Confident	70.1	Confident	59 Å²	59	67.7 Å²	67.7	49%	0.488	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	13.2	173	0	0	0	0	0	112.5	E644 F704	E644-A646 VanDerWaalsContact C-N 3.3Å; E644-A646 PolarHBondContact O-N 3.15Å; A646-F704 PolarHBondContact N-O 2.78Å
647	A	82.8	Confident	66.8	Low	19 Å²	19	71.5 Å²	71.5	16%	0.157	42%	0.42	C	S	.	.	S	Bend	trans	-67.7	145.8	173.9	0	0	0	0	0	110.4	E644 V649 W694 F704	E644-A647 HydrophobicContact CB-CB 4.07Å; E644-A647 VanDerWaalsContact O-CB 3.31Å; E644-A647 WeakPolarHBondContact O-CB 3.49Å; E644-A647 PolarHBondContact O-N 3.33Å; E644-A647 VanDerWaalsContact O-N 3.09Å; A647-V649 PolarHBondContact O-N 3.11Å; A647-V649 VanDerWaalsContact O-N 3.15Å; A647-W694 HydrophobicContact CB-CH2 3.92Å; A647-F704 HydrophobicContact CB-CB 4.02Å; A647-F704 HydrophobicContact CB-CD1 4.23Å; A647-F704 HydrophobicContact CB-CD2 4.26Å; A647-F704 HydrophobicContact CB-CG 3.9Å
648	P	68.6	Low	63.6	Low	50 Å²	50	76.7 Å²	76.7	33%	0.325	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-63.4	120.7	177.7	26.9	-34.3	0	0	0	109.8	N650 I679	P648-N650 PolarHBondContact O-N 3.11Å; P648-I679 WeakPolarHBondContact CG-O 3.41Å
649	V	59.8	Low	60.4	Low	136 Å²	136	85 Å²	85	82%	0.824	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-55.9	137.5	178.5	-177.4	0	0	0	0	109.3	A647 A651	A647-V649 PolarHBondContact O-N 3.11Å; A647-V649 VanDerWaalsContact O-N 3.15Å; V649-A651 VanDerWaalsContact C-N 3.33Å; V649-A651 PolarHBondContact O-N 2.95Å
650	N	50.2	Low	57.2	Low	114 Å²	114	91.6 Å²	91.6	61%	0.61	50%	0.495	S	S	*	.			trans	-58.3	91.5	178.1	-79.3	-25.7	0	0	0	111.2	P648 G652	P648-N650 PolarHBondContact O-N 3.11Å; N650-G652 PolarHBondContact O-N 2.89Å
651	A	32.9	Very low	54	Low	62 Å²	62	96.8 Å²	96.8	51%	0.512	52%	0.518	S	S	.	.			trans	-74	64.6	-178.5	0	0	0	0	0	111.6	V649 N653 L654	V649-A651 VanDerWaalsContact C-N 3.33Å; V649-A651 PolarHBondContact O-N 2.95Å; A651-N653 PolarHBondContact O-N 3.04Å; A651-L654 PolarHBondContact O-N 3.48Å
652	G	28.6	Very low	51.2	Low	68 Å²	68	101.1 Å²	101.1	70%	0.701	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	76.5	177.3	0	0	0	0	0	112.1	N650	N650-G652 PolarHBondContact O-N 2.89Å
653	N	28.7	Very low	48.1	Very low	150 Å²	150	102.7 Å²	102.7	80%	0.802	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	179.7	-3.2	152.3	-94	-34	0	0	0	113.4	A651 R655	A651-N653 PolarHBondContact O-N 3.04Å; N653-R655 VanDerWaalsContact C-N 3.29Å; N653-R655 PolarHBondContact O-N 3.03Å
654	L	29	Very low	45.1	Very low	131 Å²	131	105.2 Å²	105.2	69%	0.686	55%	0.552	S	S	*	*			trans	-66.5	90.8	164.1	-83	170.8	0	0	0	109.6	A651 F656	A651-L654 PolarHBondContact O-N 3.48Å; L654-F656 PolarHBondContact O-N 3.3Å
655	R	25.3	Very low	42.6	Very low	231 Å²	231	105 Å²	105	87%	0.872	55%	0.551	S	S	*	*			trans	-67.8	67.7	177.9	-75.3	-174.7	168.1	-166.5	-1.7	111.8	N653 S657	N653-R655 VanDerWaalsContact C-N 3.29Å; N653-R655 PolarHBondContact O-N 3.03Å; R655-S657 PolarHBondContact O-N 3.11Å
656	F	30.6	Very low	40.2	Very low	109 Å²	109	105.3 Å²	105.3	48%	0.478	54%	0.542	S	S	.	.			trans	-77.6	60.7	173.5	-140.5	-106.1	0	0	0	111	L654 Q658 F660 F662	L654-F656 PolarHBondContact O-N 3.3Å; F656-Q658 PolarHBondContact O-N 2.9Å; F656-Q658 VanDerWaalsContact O-N 3.13Å; F656-F660 HydrophobicContact CD2-CD2 4.12Å; F656-F660 HydrophobicContact CE1-CB 3.58Å; F656-F660 AromaticContact CE1-CD2 3.97Å; F656-F660 HydrophobicContact CE1-CD2 3.97Å; F656-F660 HydrophobicContact CE1-CG 4.15Å; F656-F660 HydrophobicContact CE2-CB 4.35Å; F656-F660 AromaticContact CE2-CD2 3.47Å; F656-F660 HydrophobicContact CE2-CD2 3.47Å; F656-F660 VanDerWaalsContact CE2-CD2 3.47Å; F656-F660 AromaticContact CE2-CE2 3.99Å; F656-F660 HydrophobicContact CE2-CE2 3.99Å; F656-F660 HydrophobicContact CE2-CG 4.05Å; F656-F660 HydrophobicContact CZ-CB 3.39Å; F656-F660 AromaticContact CZ-CD2 3.4Å; F656-F660 HydrophobicContact CZ-CD2 3.4Å; F656-F660 HydrophobicContact CZ-CE2 4.33Å; F656-F660 AromaticContact CZ-CG 3.55Å; F656-F660 HydrophobicContact CZ-CG 3.55Å; F656-F662 HydrophobicContact CE1-CD2 4.42Å; F656-F662 AromaticContact CE1-CE2 3.49Å; F656-F662 HydrophobicContact CE1-CE2 3.49Å; F656-F662 VanDerWaalsContact CE1-CE2 3.49Å; F656-F662 AromaticContact CE1-CZ 3.96Å; F656-F662 HydrophobicContact CE1-CZ 3.96Å; F656-F662 AromaticContact CZ-CE2 3.65Å; F656-F662 HydrophobicContact CZ-CE2 3.65Å; F656-F662 AromaticContact CZ-CZ 3.59Å; F656-F662 HydrophobicContact CZ-CZ 3.59Å
657	S	27.3	Very low	38	Very low	83 Å²	83	103.1 Å²	103.1	58%	0.58	52%	0.522	S	S	*	.			trans	-81.4	88.8	-169.4	175.1	0	0	0	0	111.6	R655 R659	R655-S657 PolarHBondContact O-N 3.11Å; S657-R659 VanDerWaalsContact C-N 3.25Å; S657-R659 PolarHBondContact O-N 3.44Å
658	Q	29	Very low	36.1	Very low	193 Å²	193	108.7 Å²	108.7	90%	0.902	54%	0.543	S	S	*	.	S	Bend	trans	57.6	25.1	158	-56.6	177.5	-25.9	0	0	116	F656	F656-Q658 PolarHBondContact O-N 2.9Å; F656-Q658 VanDerWaalsContact O-N 3.13Å
659	R	29.3	Very low	34.7	Very low	220 Å²	220	110.1 Å²	110.1	83%	0.83	55%	0.548	S	S	*	.			trans	-135.2	-3	-169.6	-105.5	-175.4	179.2	177.2	0.6	119.1	S657	S657-R659 VanDerWaalsContact C-N 3.25Å; S657-R659 PolarHBondContact O-N 3.44Å
660	F	30.3	Very low	33.9	Very low	139 Å²	139	103.9 Å²	103.9	61%	0.61	51%	0.51	S	S	*	.			trans	-113.5	95.8	169.5	-61.9	-87.2	0	0	0	108.7	F656	F656-F660 HydrophobicContact CD2-CD2 4.12Å; F656-F660 HydrophobicContact CE1-CB 3.58Å; F656-F660 AromaticContact CE1-CD2 3.97Å; F656-F660 HydrophobicContact CE1-CD2 3.97Å; F656-F660 HydrophobicContact CE1-CG 4.15Å; F656-F660 HydrophobicContact CE2-CB 4.35Å; F656-F660 AromaticContact CE2-CD2 3.47Å; F656-F660 HydrophobicContact CE2-CD2 3.47Å; F656-F660 VanDerWaalsContact CE2-CD2 3.47Å; F656-F660 AromaticContact CE2-CE2 3.99Å; F656-F660 HydrophobicContact CE2-CE2 3.99Å; F656-F660 HydrophobicContact CE2-CG 4.05Å; F656-F660 HydrophobicContact CZ-CB 3.39Å; F656-F660 AromaticContact CZ-CD2 3.4Å; F656-F660 HydrophobicContact CZ-CD2 3.4Å; F656-F660 HydrophobicContact CZ-CE2 4.33Å; F656-F660 AromaticContact CZ-CG 3.55Å; F656-F660 HydrophobicContact CZ-CG 3.55Å
661	H	28.9	Very low	33.3	Very low	135 Å²	135	102.7 Å²	102.7	63%	0.625	50%	0.499	S	S	*	.			trans	-53.7	128.8	149.3	-162.6	-122	0	0	0	106.6	P663	H661-P663 WeakPolarHBondContact O-CD 3.43Å
662	F	35.7	Very low	33.6	Very low	132 Å²	132	103.9 Å²	103.9	58%	0.579	50%	0.496	S	S	*	.			trans	-105.8	73.6	169.6	-78.2	-72.7	0	0	0	108.8	F656	F656-F662 HydrophobicContact CE1-CD2 4.42Å; F656-F662 AromaticContact CE1-CE2 3.49Å; F656-F662 HydrophobicContact CE1-CE2 3.49Å; F656-F662 VanDerWaalsContact CE1-CE2 3.49Å; F656-F662 AromaticContact CE1-CZ 3.96Å; F656-F662 HydrophobicContact CE1-CZ 3.96Å; F656-F662 AromaticContact CZ-CE2 3.65Å; F656-F662 HydrophobicContact CZ-CE2 3.65Å; F656-F662 AromaticContact CZ-CZ 3.59Å; F656-F662 HydrophobicContact CZ-CZ 3.59Å
663	P	30	Very low	34.1	Very low	33 Å²	33	104.3 Å²	104.3	21%	0.214	49%	0.485	C	S	.	.			trans	-68.5	160.6	165.9	34.1	-33.6	0	0	0	109.1	H661	H661-P663 WeakPolarHBondContact O-CD 3.43Å
664	Y	33.7	Very low	34.7	Very low	61 Å²	61	99 Å²	99	24%	0.239	46%	0.456	C	S	.	.	S	Bend	trans	76.4	136.8	176.6	-40.5	-61.9	0	0	0	115.6	E104 G105	E104-Y664 HydrophobicContact CB-CE1 4.47Å; E104-Y664 WeakPolarHBondContact CB-OH 3.5Å; E104-Y664 WeakPolarHBondContact OE2-CE2 3.41Å; E104-Y664 PolarHBondContact OE2-OH 3.47Å; G105-Y664 WeakPolarHBondContact O-CE1 3.28Å
665	F	40.4	Very low	35.2	Very low	31 Å²	31	94.9 Å²	94.9	14%	0.136	44%	0.435	C	S	.	.			trans	62.2	73.6	171.9	-60.3	-73.4	0	0	0	119.7	F21 H25 R107	F21-F665 HydrophobicContact CE1-CE1 4.37Å; F21-F665 HydrophobicContact CZ-CE1 4.35Å; H25-F665 HydrophobicContact CB-CG 4.45Å; H25-F665 AromaticContact CD2-CD1 3.64Å; H25-F665 AromaticContact CD2-CE1 3.91Å; H25-F665 AromaticContact CD2-CG 3.9Å; H25-F665 AromaticContact CE1-CD1 3.85Å; H25-F665 AromaticContact CE1-CD2 3.84Å; H25-F665 AromaticContact CE1-CE1 3.45Å; H25-F665 VanDerWaalsContact CE1-CE1 3.45Å; H25-F665 WeakPolarHBondContact CE1-CE1 3.23Å; H25-F665 AromaticContact CE1-CE2 3.43Å; H25-F665 VanDerWaalsContact CE1-CE2 3.43Å; H25-F665 WeakPolarHBondContact CE1-CE2 3.49Å; H25-F665 AromaticContact CE1-CZ 3.23Å; H25-F665 WeakPolarHBondContact CE1-CZ 3.23Å; H25-F665 AromaticContact CG-CD2 3.92Å; H25-F665 AromaticContact CG-CG 3.78Å; H25-F665 AromaticContact ND1-CD2 3.58Å; H25-F665 AromaticContact ND1-CE2 3.55Å; H25-F665 AromaticContact ND1-CG 3.88Å; H25-F665 AromaticContact ND1-CZ 3.83Å; H25-F665 AromaticContact NE2-CD1 3.55Å; H25-F665 AromaticContact NE2-CE1 3.3Å; H25-F665 VanDerWaalsContact NE2-CE1 3.3Å; H25-F665 WeakPolarHBondContact NE2-CE1 3.5Å; H25-F665 AromaticContact NE2-CZ 3.62Å; R107-F665 WeakPolarHBondContact O-CE1 3.5Å
666	Y	38.8	Very low	35.8	Very low	55 Å²	55	87.4 Å²	87.4	22%	0.216	41%	0.412	C	S	.	.			trans	-123.3	106.8	151.9	-75.8	-70	0	0	0	113	F671 I674	Y666-F671 HydrophobicContact CD1-CB 3.91Å; Y666-F671 AromaticContact CD1-CD2 3.58Å; Y666-F671 HydrophobicContact CD1-CD2 3.58Å; Y666-F671 HydrophobicContact CD1-CG 4.2Å; Y666-F671 HydrophobicContact CE1-CB 4.49Å; Y666-F671 AromaticContact CE1-CD2 3.84Å; Y666-F671 HydrophobicContact CE1-CD2 3.84Å; Y666-F671 HydrophobicContact CG-CD2 4.21Å; Y666-I674 HydrophobicContact CE1-CB 4.36Å; Y666-I674 HydrophobicContact CE1-CG2 4.32Å
667	N	38.7	Very low	36.4	Very low	13 Å²	13	89 Å²	89	7%	0.07	42%	0.423	C	S	.	.			trans	-98.9	170.2	156.3	-122.3	-5.6	0	0	0	109.9	E22 K109 L669 T670 F671	E22-N667 HydrophobicContact CG-CB 3.97Å; E22-N667 WeakPolarHBondContact OE1-CB 3.45Å; E22-N667 PolarHBondContact OE1-ND2 2.83Å; E22-N667 WeakPolarHBondContact OE2-CB 3.3Å; K109-N667 PolarHBondContact O-ND2 3.28Å; N667-L669 PolarHBondContact O-N 2.88Å; N667-T670 WeakPolarHBondContact CA-OG1 3.21Å; N667-T670 VanDerWaalsContact CB-OG1 3.22Å; N667-T670 WeakPolarHBondContact CB-OG1 3.34Å; N667-T670 PolarHBondContact N-OG1 2.68Å; N667-T670 PolarHBondContact O-N 2.71Å; N667-T670 PolarHBondContact O-OG1 2.76Å; N667-F671 WeakPolarHBondContact O-CB 3.46Å; N667-F671 PolarHBondContact O-N 2.97Å
668	K	42.2	Very low	37.7	Very low	137 Å²	137	89.9 Å²	89.9	60%	0.596	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.3	-171.4	-154.4	165.8	-174.1	168	0	115.1
669	L	40	Very low	39.3	Very low	80 Å²	80	81.4 Å²	81.4	42%	0.419	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-33.4	169.9	-83.5	73.2	0	0	0	111.8	I19 E22 N667 F671 I672 V673	I19-L669 HydrophobicContact CD1-CD2 3.86Å; I19-L669 HydrophobicContact CG1-CD2 3.54Å; E22-L669 WeakPolarHBondContact OE2-CB 3.34Å; N667-L669 PolarHBondContact O-N 2.88Å; L669-F671 VanDerWaalsContact C-N 3.28Å; L669-F671 PolarHBondContact O-N 3.35Å; L669-I672 WeakPolarHBondContact O-CA 2.95Å; L669-I672 WeakPolarHBondContact O-CB 3.36Å; L669-I672 PolarHBondContact O-N 3.07Å; L669-V673 PolarHBondContact O-N 3.48Å
670	T	41.7	Very low	41.4	Very low	5 Å²	5	77.5 Å²	77.5	3%	0.031	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-37.8	172.4	-2.7	0	0	0	0	111.3	E22 N667 I672 V673 I674	E22-T670 HydrophobicContact CB-CG2 3.9Å; E22-T670 VanDerWaalsContact CD-OG1 3.25Å; E22-T670 HydrophobicContact CG-CG2 4.36Å; E22-T670 WeakPolarHBondContact CG-OG1 3.44Å; E22-T670 PolarHBondContact OE2-N 2.83Å; E22-T670 PolarHBondContact OE2-OG1 3.03Å; N667-T670 WeakPolarHBondContact CA-OG1 3.21Å; N667-T670 VanDerWaalsContact CB-OG1 3.22Å; N667-T670 WeakPolarHBondContact CB-OG1 3.34Å; N667-T670 PolarHBondContact N-OG1 2.68Å; N667-T670 PolarHBondContact O-N 2.71Å; N667-T670 PolarHBondContact O-OG1 2.76Å; T670-I672 PolarHBondContact O-N 2.75Å; T670-V673 PolarHBondContact O-N 3.48Å; T670-I674 HydrophobicContact CG2-CD1 3.83Å; T670-I674 HydrophobicContact CG2-CG1 4.31Å; T670-I674 WeakPolarHBondContact O-CB 3.43Å; T670-I674 WeakPolarHBondContact O-CG1 3.09Å; T670-I674 PolarHBondContact O-N 3.31Å
671	F	38.7	Very low	44.2	Very low	88 Å²	88	73.6 Å²	73.6	39%	0.386	35%	0.348	S	S	.	.	H	α-helix	trans	-58.8	-34	171.8	-167.5	-87	0	0	0	111.7	Y666 N667 L669 N675	Y666-F671 HydrophobicContact CD1-CB 3.91Å; Y666-F671 AromaticContact CD1-CD2 3.58Å; Y666-F671 HydrophobicContact CD1-CD2 3.58Å; Y666-F671 HydrophobicContact CD1-CG 4.2Å; Y666-F671 HydrophobicContact CE1-CB 4.49Å; Y666-F671 AromaticContact CE1-CD2 3.84Å; Y666-F671 HydrophobicContact CE1-CD2 3.84Å; Y666-F671 HydrophobicContact CG-CD2 4.21Å; N667-F671 WeakPolarHBondContact O-CB 3.46Å; N667-F671 PolarHBondContact O-N 2.97Å; L669-F671 VanDerWaalsContact C-N 3.28Å; L669-F671 PolarHBondContact O-N 3.35Å; F671-N675 WeakPolarHBondContact CD1-ND2 3.35Å; F671-N675 WeakPolarHBondContact CD2-ND2 3.49Å; F671-N675 WeakPolarHBondContact CE1-ND2 3.43Å; F671-N675 WeakPolarHBondContact CE2-ND2 3.41Å; F671-N675 WeakPolarHBondContact CG-ND2 3.5Å; F671-N675 VanDerWaalsContact CZ-ND2 3.35Å; F671-N675 WeakPolarHBondContact CZ-ND2 3.27Å; F671-N675 WeakPolarHBondContact O-CB 3.39Å; F671-N675 PolarHBondContact O-N 2.78Å; F671-N675 PolarHBondContact O-ND2 3.47Å
672	I	38.9	Very low	47.2	Very low	87 Å²	87	67.8 Å²	67.8	45%	0.446	32%	0.323	S	S	.	.	H	α-helix	trans	-70.9	-52.4	174.8	-61.2	171.1	0	0	0	109.7	L669 T670 I674 L676	L669-I672 WeakPolarHBondContact O-CA 2.95Å; L669-I672 WeakPolarHBondContact O-CB 3.36Å; L669-I672 PolarHBondContact O-N 3.07Å; T670-I672 PolarHBondContact O-N 2.75Å; I672-I674 PolarHBondContact O-N 2.58Å; I672-L676 HydrophobicContact CG2-CD1 3.87Å; I672-L676 VanDerWaalsContact O-CB 3.24Å; I672-L676 WeakPolarHBondContact O-CB 3.39Å; I672-L676 WeakPolarHBondContact O-CG 3.36Å; I672-L676 PolarHBondContact O-N 3.08Å
673	V	38.3	Very low	49.8	Very low	78 Å²	78	64.9 Å²	64.9	47%	0.473	31%	0.313	S	S	.	.	H	α-helix	trans	-67.1	-37.9	-175.3	-179.8	0	0	0	0	113.5	L669 T670 L676	L669-V673 PolarHBondContact O-N 3.48Å; T670-V673 PolarHBondContact O-N 3.48Å; V673-L676 WeakPolarHBondContact O-CB 3.46Å
674	I	41.2	Very low	52.7	Low	39 Å²	39	66.8 Å²	66.8	20%	0.2	33%	0.325	C	S	.	.	H	α-helix	trans	-79.4	-38.4	-179.3	-65.5	178.5	0	0	0	111.1	P26 Y666 T670 I672 L676 M677	P26-I674 HydrophobicContact CG-CD1 4.2Å; P26-I674 HydrophobicContact CG-CG1 4.08Å; Y666-I674 HydrophobicContact CE1-CB 4.36Å; Y666-I674 HydrophobicContact CE1-CG2 4.32Å; T670-I674 HydrophobicContact CG2-CD1 3.83Å; T670-I674 HydrophobicContact CG2-CG1 4.31Å; T670-I674 WeakPolarHBondContact O-CB 3.43Å; T670-I674 WeakPolarHBondContact O-CG1 3.09Å; T670-I674 PolarHBondContact O-N 3.31Å; I672-I674 PolarHBondContact O-N 2.58Å; I674-L676 VanDerWaalsContact C-N 3.34Å; I674-M677 PolarHBondContact O-N 3.41Å
675	N	39.4	Very low	55.4	Low	43 Å²	43	68.8 Å²	68.8	23%	0.23	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-35.1	170.8	-75.4	-87.6	0	0	0	111.1	F671 M677 I678 I679	F671-N675 WeakPolarHBondContact CD1-ND2 3.35Å; F671-N675 WeakPolarHBondContact CD2-ND2 3.49Å; F671-N675 WeakPolarHBondContact CE1-ND2 3.43Å; F671-N675 WeakPolarHBondContact CE2-ND2 3.41Å; F671-N675 WeakPolarHBondContact CG-ND2 3.5Å; F671-N675 VanDerWaalsContact CZ-ND2 3.35Å; F671-N675 WeakPolarHBondContact CZ-ND2 3.27Å; F671-N675 WeakPolarHBondContact O-CB 3.39Å; F671-N675 PolarHBondContact O-N 2.78Å; F671-N675 PolarHBondContact O-ND2 3.47Å; N675-M677 PolarHBondContact O-N 3.18Å; N675-I678 CarbonylContact O-C 3.55Å; N675-I678 PolarHBondContact O-N 3.48Å; N675-I679 HydrophobicContact CB-CD1 3.99Å; N675-I679 HydrophobicContact CB-CG1 3.84Å; N675-I679 WeakPolarHBondContact O-CG1 3.39Å; N675-I679 PolarHBondContact O-N 2.82Å
676	L	39.6	Very low	57.7	Low	74 Å²	74	68.1 Å²	68.1	39%	0.387	35%	0.348	S	S	.	.	H	α-helix	trans	-52.5	-23.4	172.3	-95.7	162.7	0	0	0	114.1	I672 V673 I674 E703	I672-L676 HydrophobicContact CG2-CD1 3.87Å; I672-L676 VanDerWaalsContact O-CB 3.24Å; I672-L676 WeakPolarHBondContact O-CB 3.39Å; I672-L676 WeakPolarHBondContact O-CG 3.36Å; I672-L676 PolarHBondContact O-N 3.08Å; V673-L676 WeakPolarHBondContact O-CB 3.46Å; I674-L676 VanDerWaalsContact C-N 3.34Å; L676-E703 HydrophobicContact CD2-CB 3.97Å; L676-E703 HydrophobicContact CD2-CG 3.98Å; L676-E703 WeakPolarHBondContact CD2-OE2 3.11Å
677	M	43.3	Very low	60	Low	143 Å²	143	67.7 Å²	67.7	70%	0.704	35%	0.353	S	S	*	.	H	α-helix	trans	-85.5	-19.4	174	-68.5	-168.2	164.6	0	0	114.7	I674 N675	I674-M677 PolarHBondContact O-N 3.41Å; N675-M677 PolarHBondContact O-N 3.18Å
678	I	52.6	Low	62.4	Low	102 Å²	102	69.5 Å²	69.5	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-144.1	27.2	-178.6	-23.6	178.2	0	0	0	115.1	N675 R680	N675-I678 CarbonylContact O-C 3.55Å; N675-I678 PolarHBondContact O-N 3.48Å; I678-R680 HydrophobicContact CG2-CG 4.4Å; I678-R680 PolarHBondContact O-N 2.62Å
679	I	63.1	Low	64.5	Low	15 Å²	15	68.6 Å²	68.6	8%	0.077	36%	0.356	C	S	.	.			trans	-64.6	100.2	167.6	-76.7	154.4	0	0	0	108.1	P648 N675 V693 W694 A697 F704	P648-I679 WeakPolarHBondContact CG-O 3.41Å; N675-I679 HydrophobicContact CB-CD1 3.99Å; N675-I679 HydrophobicContact CB-CG1 3.84Å; N675-I679 WeakPolarHBondContact O-CG1 3.39Å; N675-I679 PolarHBondContact O-N 2.82Å; I679-V693 HydrophobicContact CG1-CG1 4.49Å; I679-W694 HydrophobicContact CG2-CD2 4.48Å; I679-W694 HydrophobicContact CG2-CE3 3.4Å; I679-W694 HydrophobicContact CG2-CZ3 3.8Å; I679-A697 HydrophobicContact CD1-CB 4.29Å; I679-F704 HydrophobicContact CB-CZ 4.34Å; I679-F704 HydrophobicContact CG2-CE1 4.37Å; I679-F704 HydrophobicContact CG2-CZ 3.64Å
680	R	74.7	Confident	66.7	Low	138 Å²	138	70.1 Å²	70.1	52%	0.521	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-84	148.4	176.7	-69.7	178.8	179	170.1	0	110.5	I678 W694	I678-R680 HydrophobicContact CG2-CG 4.4Å; I678-R680 PolarHBondContact O-N 2.62Å; R680-W694 VanDerWaalsContact O-CE3 3.28Å
681	K	88.8	Confident	69	Low	56 Å²	56	70.2 Å²	70.2	24%	0.243	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-63.4	125.4	173.6	-170	164.7	-173.8	167.1	0	109.8	A579 D580 N640 E644 W694	A579-K681 WeakPolarHBondContact O-CE 3.35Å; A579-K681 PolarHBondContact O-NZ 2.59Å; D580-K681 WeakPolarHBondContact O-CE 3.45Å; D580-K681 WeakPolarHBondContact O-CG 3.36Å; N640-K681 PolarHBondContact ND2-NZ 2.72Å; E644-K681 VanDerWaalsContact OE1-CE 3.29Å; E644-K681 WeakPolarHBondContact OE1-CE 3.24Å; E644-K681 IonicContact OE1-NZ 2.65Å; E644-K681 PolarHBondContact OE1-NZ 2.75Å; E644-K681 IonicContact OE2-NZ 3.11Å; E644-K681 PolarHBondContact OE2-NZ 2.84Å; K681-W694 VanDerWaalsContact CA-CZ3 3.45Å; K681-W694 HydrophobicContact CB-CE3 4.35Å; K681-W694 HydrophobicContact CB-CH2 3.64Å; K681-W694 HydrophobicContact CB-CZ2 3.83Å; K681-W694 HydrophobicContact CB-CZ3 3.92Å; K681-W694 HydrophobicContact CD-CH2 4.39Å; K681-W694 HydrophobicContact CD-CZ2 3.88Å; K681-W694 HydrophobicContact CG-CD2 4.47Å; K681-W694 HydrophobicContact CG-CH2 4.03Å; K681-W694 HydrophobicContact CG-CZ2 3.66Å; K681-W694 VanDerWaalsContact N-CZ3 3.32Å
682	P	90.5	Very high	71.5	Confident	13 Å²	13	68.3 Å²	68.3	8%	0.084	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.6	157.8	178.8	28.1	-34.9	0	0	0	110.6	C581 K691 W694	C581-P682 CarbonylContact C-O 3.49Å; C581-P682 VanDerWaalsContact CA-O 3.24Å; C581-P682 WeakPolarHBondContact CA-O 3.31Å; C581-P682 HydrophobicContact CB-CB 4.34Å; C581-P682 HydrophobicContact CB-CG 4.05Å; P682-K691 HydrophobicContact CB-CG 3.76Å; P682-K691 HydrophobicContact CG-CG 3.94Å; P682-W694 VanDerWaalsContact CD-CD2 3.45Å; P682-W694 HydrophobicContact CG-CB 3.9Å; P682-W694 HydrophobicContact CG-CD2 4.5Å; P682-W694 HydrophobicContact CG-CG 3.87Å
683	D	90.9	Very high	73.8	Confident	72 Å²	72	67.2 Å²	67.2	39%	0.385	35%	0.351	S	S	.	.			trans	-102.3	175.3	175.9	80.1	84.7	0	0	0	110.8	C581 S685 S686 K691	C581-D683 CarbonylContact O-C 3.59Å; D683-S685 PolarHBondContact O-N 3.18Å; D683-S685 WeakPolarHBondContact OD1-CA 3.43Å; D683-S685 VanDerWaalsContact OD1-CB 3.3Å; D683-S685 WeakPolarHBondContact OD1-CB 3.5Å; D683-S685 PolarHBondContact OD1-N 2.98Å; D683-S685 PolarHBondContact OD1-OG 3.47Å; D683-S686 VanDerWaalsContact CG-OG 3.25Å; D683-S686 PolarHBondContact N-OG 3.35Å; D683-S686 PolarHBondContact O-N 3.22Å; D683-S686 PolarHBondContact O-OG 2.71Å; D683-S686 PolarHBondContact OD1-N 3.41Å; D683-S686 PolarHBondContact OD2-N 3.43Å; D683-S686 PolarHBondContact OD2-OG 3.44Å; D683-K691 WeakPolarHBondContact O-CE 3.36Å; D683-K691 PolarHBondContact O-NZ 2.69Å; D683-K691 VanDerWaalsContact O-NZ 3.17Å
684	P	91.9	Very high	76.4	Confident	72 Å²	72	63.7 Å²	63.7	47%	0.468	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.5	-178.9	-24	35	0	0	0	113.6	C581 A583 K691	C581-P684 WeakPolarHBondContact O-CD 3.5Å; C581-P684 VanDerWaalsContact O-N 3.14Å; A583-P684 HydrophobicContact CB-CB 3.95Å; A583-P684 HydrophobicContact CB-CG 4.26Å; P684-K691 VanDerWaalsContact C-NZ 3.35Å; P684-K691 PolarHBondContact O-NZ 3.3Å
685	S	90	Very high	78.9	Confident	104 Å²	104	61.8 Å²	61.8	73%	0.727	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-13.1	-175.9	74.4	0	0	0	0	115.7	D683	D683-S685 PolarHBondContact O-N 3.18Å; D683-S685 WeakPolarHBondContact OD1-CA 3.43Å; D683-S685 VanDerWaalsContact OD1-CB 3.3Å; D683-S685 WeakPolarHBondContact OD1-CB 3.5Å; D683-S685 PolarHBondContact OD1-N 2.98Å; D683-S685 PolarHBondContact OD1-OG 3.47Å
686	S	87.9	Confident	81.4	Confident	17 Å²	17	62.7 Å²	62.7	12%	0.119	32%	0.32	C	S	.	.	S	Bend	trans	-57.4	159.4	179.2	-22.5	0	0	0	0	112.7	D683 E690 K691	D683-S686 VanDerWaalsContact CG-OG 3.25Å; D683-S686 PolarHBondContact N-OG 3.35Å; D683-S686 PolarHBondContact O-N 3.22Å; D683-S686 PolarHBondContact O-OG 2.71Å; D683-S686 PolarHBondContact OD1-N 3.41Å; D683-S686 PolarHBondContact OD2-N 3.43Å; D683-S686 PolarHBondContact OD2-OG 3.44Å; S686-E690 WeakPolarHBondContact CB-OE2 3.32Å; S686-K691 WeakPolarHBondContact O-CE 3.41Å; S686-K691 PolarHBondContact O-NZ 2.84Å
687	S	88.3	Confident	83.8	Confident	45 Å²	45	59.3 Å²	59.3	32%	0.315	30%	0.302	S	S	.	.			trans	-59.7	165.5	-179.6	67.3	0	0	0	0	113.3	E689 E690 K691	S687-E689 WeakPolarHBondContact CB-OE2 3.09Å; S687-E689 PolarHBondContact O-N 3.48Å; S687-E690 WeakPolarHBondContact CB-OE2 3.36Å; S687-E690 PolarHBondContact N-OE2 2.79Å; S687-E690 WeakPolarHBondContact OG-CB 3.42Å; S687-E690 VanDerWaalsContact OG-CD 3.27Å; S687-E690 VanDerWaalsContact OG-CG 3.23Å; S687-E690 WeakPolarHBondContact OG-CG 3.47Å; S687-E690 PolarHBondContact OG-N 2.86Å; S687-E690 PolarHBondContact OG-OE2 3.26Å; S687-K691 WeakPolarHBondContact O-CD 3.2Å; S687-K691 WeakPolarHBondContact O-CG 3.5Å; S687-K691 PolarHBondContact O-N 3.05Å
688	R	88.7	Confident	86.2	Confident	52 Å²	52	52.5 Å²	52.5	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-34.7	173.2	176.9	174.7	-177.7	70.6	9.3	110.2	G603 I604 K691 E692	G603-R688 PolarHBondContact O-NH2 3.34Å; I604-R688 HydrophobicContact CD1-CG 4.35Å; R688-K691 PolarHBondContact O-N 2.79Å; R688-E692 WeakPolarHBondContact O-CB 3.38Å; R688-E692 PolarHBondContact O-N 2.87Å
689	E	86	Confident	88.2	Confident	118 Å²	118	47.8 Å²	47.8	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-69.2	-47.7	-174.8	-64.7	65.2	-150.5	0	0	110.8	S687 K691 E692 V693	S687-E689 WeakPolarHBondContact CB-OE2 3.09Å; S687-E689 PolarHBondContact O-N 3.48Å; E689-K691 VanDerWaalsContact C-N 3.35Å; E689-K691 PolarHBondContact O-N 2.82Å; E689-E692 PolarHBondContact O-N 3.09Å; E689-V693 WeakPolarHBondContact O-CG2 3.38Å; E689-V693 PolarHBondContact O-N 3.24Å
690	E	85.1	Confident	89.6	Confident	112 Å²	112	50.6 Å²	50.6	52%	0.523	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-43	172.4	-71	159.4	124.3	0	0	111.7	S686 S687 E692 V693 W694	S686-E690 WeakPolarHBondContact CB-OE2 3.32Å; S687-E690 WeakPolarHBondContact CB-OE2 3.36Å; S687-E690 PolarHBondContact N-OE2 2.79Å; S687-E690 WeakPolarHBondContact OG-CB 3.42Å; S687-E690 VanDerWaalsContact OG-CD 3.27Å; S687-E690 VanDerWaalsContact OG-CG 3.23Å; S687-E690 WeakPolarHBondContact OG-CG 3.47Å; S687-E690 PolarHBondContact OG-N 2.86Å; S687-E690 PolarHBondContact OG-OE2 3.26Å; E690-E692 VanDerWaalsContact C-N 3.31Å; E690-E692 PolarHBondContact O-N 3.25Å; E690-V693 PolarHBondContact O-N 3.37Å; E690-W694 PolarHBondContact O-N 2.96Å
691	K	90.1	Very high	90.3	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-36	175.3	-74.6	165.3	178.7	150	0	111.9	C581 I604 P682 D683 P684 S686 S687 R688 E689 I695	C581-K691 HydrophobicContact CB-CD 4.38Å; C581-K691 HydrophobicContact CB-CG 4.37Å; I604-K691 HydrophobicContact CD1-CB 3.7Å; P682-K691 HydrophobicContact CB-CG 3.76Å; P682-K691 HydrophobicContact CG-CG 3.94Å; D683-K691 WeakPolarHBondContact O-CE 3.36Å; D683-K691 PolarHBondContact O-NZ 2.69Å; D683-K691 VanDerWaalsContact O-NZ 3.17Å; P684-K691 VanDerWaalsContact C-NZ 3.35Å; P684-K691 PolarHBondContact O-NZ 3.3Å; S686-K691 WeakPolarHBondContact O-CE 3.41Å; S686-K691 PolarHBondContact O-NZ 2.84Å; S687-K691 WeakPolarHBondContact O-CD 3.2Å; S687-K691 WeakPolarHBondContact O-CG 3.5Å; S687-K691 PolarHBondContact O-N 3.05Å; R688-K691 PolarHBondContact O-N 2.79Å; E689-K691 VanDerWaalsContact C-N 3.35Å; E689-K691 PolarHBondContact O-N 2.82Å; K691-I695 VanDerWaalsContact O-CB 3.25Å; K691-I695 WeakPolarHBondContact O-CB 3.32Å; K691-I695 WeakPolarHBondContact O-CD1 3.42Å; K691-I695 WeakPolarHBondContact O-CG1 3.43Å; K691-I695 PolarHBondContact O-N 2.91Å
692	E	92.6	Very high	90.4	Very high	48 Å²	48	51.5 Å²	51.5	22%	0.224	26%	0.263	C	S	.	.	H	α-helix	trans	-70.7	-41.1	177.8	-176.9	166.7	165.1	0	0	112.1	I604 R688 E689 E690 I695 R696	I604-E692 HydrophobicContact CD1-CB 4.15Å; I604-E692 HydrophobicContact CG1-CB 4.5Å; I604-E692 HydrophobicContact CG2-CB 4.12Å; I604-E692 HydrophobicContact CG2-CG 3.96Å; R688-E692 WeakPolarHBondContact O-CB 3.38Å; R688-E692 PolarHBondContact O-N 2.87Å; E689-E692 PolarHBondContact O-N 3.09Å; E690-E692 VanDerWaalsContact C-N 3.31Å; E690-E692 PolarHBondContact O-N 3.25Å; E692-I695 PolarHBondContact O-N 2.92Å; E692-R696 HydrophobicContact CG-CG 4.31Å; E692-R696 WeakPolarHBondContact O-CB 3.12Å; E692-R696 VanDerWaalsContact O-CG 3.29Å; E692-R696 WeakPolarHBondContact O-CG 3.38Å; E692-R696 PolarHBondContact O-N 3.25Å; E692-R696 IonicContact OE1-CZ 3.67Å; E692-R696 IonicContact OE1-NE 2.68Å; E692-R696 PolarHBondContact OE1-NE 3.06Å; E692-R696 IonicContact OE1-NH2 2.71Å; E692-R696 PolarHBondContact OE1-NH2 3.34Å
693	V	87	Confident	90.2	Very high	63 Å²	63	53.4 Å²	53.4	38%	0.382	27%	0.271	S	S	.	.	H	α-helix	trans	-58.3	-51.4	172.5	172.2	0	0	0	0	110.5	I679 E689 E690 I695 R696 A697	I679-V693 HydrophobicContact CG1-CG1 4.49Å; E689-V693 WeakPolarHBondContact O-CG2 3.38Å; E689-V693 PolarHBondContact O-N 3.24Å; E690-V693 PolarHBondContact O-N 3.37Å; V693-I695 PolarHBondContact O-N 2.83Å; V693-R696 PolarHBondContact O-N 3.31Å; V693-A697 WeakPolarHBondContact O-CB 3.17Å; V693-A697 PolarHBondContact O-N 3.21Å
694	W	91.8	Very high	90.2	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-49.2	178	177.4	-93.7	0	0	0	112.8	D580 E644 A647 I679 R680 K681 P682 E690 R696 A697 K698 F704	D580-W694 PolarHBondContact O-NE1 2.97Å; E644-W694 HydrophobicContact CG-CZ2 4.16Å; E644-W694 WeakPolarHBondContact OE1-CZ2 3.3Å; A647-W694 HydrophobicContact CB-CH2 3.92Å; I679-W694 HydrophobicContact CG2-CD2 4.48Å; I679-W694 HydrophobicContact CG2-CE3 3.4Å; I679-W694 HydrophobicContact CG2-CZ3 3.8Å; R680-W694 VanDerWaalsContact O-CE3 3.28Å; K681-W694 VanDerWaalsContact CA-CZ3 3.45Å; K681-W694 HydrophobicContact CB-CE3 4.35Å; K681-W694 HydrophobicContact CB-CH2 3.64Å; K681-W694 HydrophobicContact CB-CZ2 3.83Å; K681-W694 HydrophobicContact CB-CZ3 3.92Å; K681-W694 HydrophobicContact CD-CH2 4.39Å; K681-W694 HydrophobicContact CD-CZ2 3.88Å; K681-W694 HydrophobicContact CG-CD2 4.47Å; K681-W694 HydrophobicContact CG-CH2 4.03Å; K681-W694 HydrophobicContact CG-CZ2 3.66Å; K681-W694 VanDerWaalsContact N-CZ3 3.32Å; P682-W694 VanDerWaalsContact CD-CD2 3.45Å; P682-W694 HydrophobicContact CG-CB 3.9Å; P682-W694 HydrophobicContact CG-CD2 4.5Å; P682-W694 HydrophobicContact CG-CG 3.87Å; E690-W694 PolarHBondContact O-N 2.96Å; W694-R696 VanDerWaalsContact C-N 3.35Å; W694-R696 PolarHBondContact O-N 3.14Å; W694-A697 PolarHBondContact O-N 3.5Å; W694-K698 WeakPolarHBondContact O-CB 3.43Å; W694-K698 PolarHBondContact O-N 3.01Å; W694-F704 HydrophobicContact CD2-CE2 4.12Å; W694-F704 AromaticContact CE3-CE2 3.97Å; W694-F704 HydrophobicContact CE3-CE2 3.97Å; W694-F704 HydrophobicContact CE3-CZ 4.2Å; W694-F704 HydrophobicContact CH2-CD2 4.31Å; W694-F704 AromaticContact CH2-CE2 4Å; W694-F704 HydrophobicContact CH2-CE2 4Å; W694-F704 HydrophobicContact CZ2-CD2 4.39Å; W694-F704 HydrophobicContact CZ2-CE2 4.17Å; W694-F704 AromaticContact CZ3-CE2 3.89Å; W694-F704 HydrophobicContact CZ3-CE2 3.89Å; W694-F704 HydrophobicContact CZ3-CZ 4.1Å
695	I	94.8	Very high	90.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-34.8	-176.5	-73.7	167	0	0	0	111.6	D580 C601 I604 L608 K691 E692 V693 Y699	D580-I695 HydrophobicContact CB-CD1 4.14Å; D580-I695 HydrophobicContact CB-CG1 3.92Å; C601-I695 HydrophobicContact CB-CD1 3.71Å; I604-I695 HydrophobicContact CB-CD1 4.08Å; I604-I695 HydrophobicContact CB-CG2 4.43Å; I604-I695 HydrophobicContact CD1-CD1 3.91Å; I604-I695 HydrophobicContact CG2-CB 4.04Å; I604-I695 HydrophobicContact CG2-CD1 4.17Å; I604-I695 HydrophobicContact CG2-CG2 3.68Å; L608-I695 HydrophobicContact CD1-CG2 3.9Å; K691-I695 VanDerWaalsContact O-CB 3.25Å; K691-I695 WeakPolarHBondContact O-CB 3.32Å; K691-I695 WeakPolarHBondContact O-CD1 3.42Å; K691-I695 WeakPolarHBondContact O-CG1 3.43Å; K691-I695 PolarHBondContact O-N 2.91Å; E692-I695 PolarHBondContact O-N 2.92Å; V693-I695 PolarHBondContact O-N 2.83Å; I695-Y699 HydrophobicContact CG2-CD2 4.1Å; I695-Y699 WeakPolarHBondContact O-CD2 3.13Å; I695-Y699 PolarHBondContact O-N 2.9Å; I695-Y699 VanDerWaalsContact O-N 3.07Å
696	R	92.5	Very high	90.1	Very high	62 Å²	62	43.9 Å²	43.9	23%	0.234	21%	0.209	C	C	.	.	I	π-helix	trans	-70.5	-47.7	173.5	-71.5	-175.6	-174.3	-73.1	-0.8	111.7	L608 E692 V693 W694 K698 Q700 H701	L608-R696 HydrophobicContact CD2-CG 3.95Å; E692-R696 HydrophobicContact CG-CG 4.31Å; E692-R696 WeakPolarHBondContact O-CB 3.12Å; E692-R696 VanDerWaalsContact O-CG 3.29Å; E692-R696 WeakPolarHBondContact O-CG 3.38Å; E692-R696 PolarHBondContact O-N 3.25Å; E692-R696 IonicContact OE1-CZ 3.67Å; E692-R696 IonicContact OE1-NE 2.68Å; E692-R696 PolarHBondContact OE1-NE 3.06Å; E692-R696 IonicContact OE1-NH2 2.71Å; E692-R696 PolarHBondContact OE1-NH2 3.34Å; V693-R696 PolarHBondContact O-N 3.31Å; W694-R696 VanDerWaalsContact C-N 3.35Å; W694-R696 PolarHBondContact O-N 3.14Å; R696-K698 VanDerWaalsContact C-N 3.32Å; R696-K698 PolarHBondContact O-N 3.03Å; R696-Q700 HydrophobicContact CB-CB 4.47Å; R696-Q700 WeakPolarHBondContact O-CA 3.43Å; R696-Q700 WeakPolarHBondContact O-CB 3.45Å; R696-Q700 PolarHBondContact O-N 2.87Å; R696-H701 PolarHBondContact O-CD2 3.04Å; R696-H701 PolarHBondContact O-N 2.81Å
697	A	89	Confident	90.1	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	24%	0.239	C	C	.	.	I	π-helix	trans	-54	-49.8	174.7	0	0	0	0	0	111.3	I679 V693 W694 H701 R702 E703 F704	I679-A697 HydrophobicContact CD1-CB 4.29Å; V693-A697 WeakPolarHBondContact O-CB 3.17Å; V693-A697 PolarHBondContact O-N 3.21Å; W694-A697 PolarHBondContact O-N 3.5Å; A697-H701 CarbonylContact O-C 3.4Å; A697-R702 PolarHBondContact O-N 3.21Å; A697-E703 HydrophobicContact CB-CB 4.5Å; A697-E703 HydrophobicContact CB-CG 4.5Å; A697-E703 WeakPolarHBondContact CB-OE2 3.12Å; A697-E703 PolarHBondContact O-N 3.03Å; A697-F704 HydrophobicContact CB-CE1 4.31Å; A697-F704 HydrophobicContact CB-CE2 3.95Å; A697-F704 HydrophobicContact CB-CZ 3.52Å
698	K	93.7	Very high	90.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-60.4	-54.8	-179.4	-173.6	170.1	177.8	-173.2	0	113.8	A579 D580 N640 W643 E644 W694 R696 R702 F704	A579-K698 PolarHBondContact O-NZ 3.44Å; D580-K698 IonicContact OD1-NZ 2.96Å; D580-K698 PolarHBondContact OD1-NZ 3.5Å; N640-K698 PolarHBondContact OD1-NZ 3.49Å; W643-K698 HydrophobicContact CB-CG 4.22Å; W643-K698 VanDerWaalsContact CE3-O 3.3Å; W643-K698 WeakPolarHBondContact O-CG 3Å; E644-K698 HydrophobicContact CG-CD 4.17Å; E644-K698 WeakPolarHBondContact OE1-CE 3.49Å; E644-K698 IonicContact OE1-NZ 3.65Å; E644-K698 PolarHBondContact OE1-NZ 2.96Å; W694-K698 WeakPolarHBondContact O-CB 3.43Å; W694-K698 PolarHBondContact O-N 3.01Å; R696-K698 VanDerWaalsContact C-N 3.32Å; R696-K698 PolarHBondContact O-N 3.03Å; K698-R702 WeakPolarHBondContact O-CA 3.09Å; K698-F704 HydrophobicContact CB-CD2 3.91Å; K698-F704 HydrophobicContact CB-CE2 3.92Å; K698-F704 HydrophobicContact CG-CD2 4.23Å
699	Y	95.7	Very high	90.2	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.012	24%	0.244	C	C	.	.	I	π-helix	trans	-108.8	-32.1	-168.1	-58.9	-66.4	0	0	0	115.4	D580 L593 H605 W643 I695	D580-Y699 VanDerWaalsContact OD1-CE2 3.27Å; D580-Y699 WeakPolarHBondContact OD1-CE2 3.3Å; D580-Y699 PolarHBondContact OD1-OH 2.89Å; L593-Y699 HydrophobicContact CD1-CD1 3.76Å; L593-Y699 HydrophobicContact CD1-CE1 3.61Å; L593-Y699 HydrophobicContact CD1-CG 4.3Å; L593-Y699 HydrophobicContact CD2-CD1 4.36Å; L593-Y699 HydrophobicContact CD2-CE1 4.47Å; H605-Y699 AromaticContact CE1-CD2 3.64Å; H605-Y699 AromaticContact CE1-CE2 3.27Å; H605-Y699 WeakPolarHBondContact CE1-CE2 3.43Å; H605-Y699 AromaticContact CE1-CZ 3.87Å; H605-Y699 AromaticContact NE2-CD2 3.75Å; H605-Y699 AromaticContact NE2-CE2 3.33Å; H605-Y699 VanDerWaalsContact NE2-CE2 3.33Å; H605-Y699 WeakPolarHBondContact NE2-CE2 3.23Å; W643-Y699 HydrophobicContact CB-CE1 4.11Å; W643-Y699 AromaticContact CD2-CD1 3.68Å; W643-Y699 HydrophobicContact CD2-CD1 3.68Å; W643-Y699 AromaticContact CD2-CE1 3.72Å; W643-Y699 HydrophobicContact CD2-CE1 3.72Å; W643-Y699 AromaticContact CE3-CD1 3.58Å; W643-Y699 HydrophobicContact CE3-CD1 3.58Å; W643-Y699 HydrophobicContact CE3-CE1 4.07Å; W643-Y699 HydrophobicContact CG-CD1 4.21Å; W643-Y699 AromaticContact CG-CE1 3.75Å; W643-Y699 HydrophobicContact CG-CE1 3.75Å; W643-Y699 HydrophobicContact CH2-CD1 4.28Å; W643-Y699 HydrophobicContact CZ2-CD1 4.37Å; W643-Y699 AromaticContact CZ3-CD1 3.9Å; W643-Y699 HydrophobicContact CZ3-CD1 3.9Å; I695-Y699 HydrophobicContact CG2-CD2 4.1Å; I695-Y699 WeakPolarHBondContact O-CD2 3.13Å; I695-Y699 PolarHBondContact O-N 2.9Å; I695-Y699 VanDerWaalsContact O-N 3.07Å
700	Q	92	Very high	90.4	Very high	75 Å²	75	49.4 Å²	49.4	35%	0.35	24%	0.242	S	C	.	.	I	π-helix	trans	-88.4	-44.7	-178	-177.5	-177.2	-12.5	0	0	111.6	L608 I612 R696	L608-Q700 HydrophobicContact CD2-CB 4.4Å; I612-Q700 HydrophobicContact CD1-CB 4.22Å; I612-Q700 HydrophobicContact CD1-CG 4.09Å; R696-Q700 HydrophobicContact CB-CB 4.47Å; R696-Q700 WeakPolarHBondContact O-CA 3.43Å; R696-Q700 WeakPolarHBondContact O-CB 3.45Å; R696-Q700 PolarHBondContact O-N 2.87Å
701	H	88.3	Confident	90.5	Very high	107 Å²	107	49 Å²	49	50%	0.495	25%	0.249	S	C	.	.	I	π-helix	trans	-93	-17.8	179.3	-55	-48.7	0	0	0	112.5	R696 A697 E703	R696-H701 PolarHBondContact O-CD2 3.04Å; R696-H701 PolarHBondContact O-N 2.81Å; A697-H701 CarbonylContact O-C 3.4Å; H701-E703 HydrophobicContact CB-CG 3.8Å; H701-E703 WeakPolarHBondContact CB-OE1 3.38Å; H701-E703 IonicContact CD2-OE1 2.81Å; H701-E703 IonicContact CG-OE1 3.76Å; H701-E703 PolarHBondContact O-N 3.02Å
702	R	91.6	Very high	90.4	Very high	105 Å²	105	56.5 Å²	56.5	40%	0.396	29%	0.29	S	S	.	.			trans	64.2	25.9	174	-50.4	175.9	179.2	178.4	-10.2	113.5	W643 A697 K698 F704 L705 A736	W643-R702 HydrophobicContact CZ3-CG 4.4Å; A697-R702 PolarHBondContact O-N 3.21Å; K698-R702 WeakPolarHBondContact O-CA 3.09Å; R702-F704 VanDerWaalsContact C-N 3.26Å; R702-F704 PolarHBondContact O-N 2.81Å; R702-L705 HydrophobicContact CB-CD1 3.8Å; R702-L705 HydrophobicContact CB-CG 4.15Å; R702-L705 HydrophobicContact CG-CD1 4.37Å; R702-L705 PolarHBondContact O-N 3.38Å; R702-A736 PolarHBondContact NE-O 2.91Å; R702-A736 VanDerWaalsContact NE-O 3.16Å; R702-A736 PolarHBondContact NH1-O 3.46Å; R702-A736 VanDerWaalsContact NH1-O 3.11Å; R702-A736 PolarHBondContact NH2-O 2.86Å
703	E	86.2	Confident	90.3	Very high	54 Å²	54	55.7 Å²	55.7	25%	0.252	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.3	-168.3	-71.2	167.9	-146.5	0	0	113.8	L676 A697 H701	L676-E703 HydrophobicContact CD2-CB 3.97Å; L676-E703 HydrophobicContact CD2-CG 3.98Å; L676-E703 WeakPolarHBondContact CD2-OE2 3.11Å; A697-E703 HydrophobicContact CB-CB 4.5Å; A697-E703 HydrophobicContact CB-CG 4.5Å; A697-E703 WeakPolarHBondContact CB-OE2 3.12Å; A697-E703 PolarHBondContact O-N 3.03Å; H701-E703 HydrophobicContact CB-CG 3.8Å; H701-E703 WeakPolarHBondContact CB-OE1 3.38Å; H701-E703 IonicContact CD2-OE1 2.81Å; H701-E703 IonicContact CG-OE1 3.76Å; H701-E703 PolarHBondContact O-N 3.02Å
704	F	90	Very high	90.6	Very high	5 Å²	5	56 Å²	56	2%	0.022	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.9	-175	-42.8	-39.2	0	0	0	113.9	W643 A645 A646 A647 I679 W694 A697 K698 R702	W643-F704 WeakPolarHBondContact O-CB 3.12Å; A645-F704 PolarHBondContact N-O 2.74Å; A646-F704 PolarHBondContact N-O 2.78Å; A647-F704 HydrophobicContact CB-CB 4.02Å; A647-F704 HydrophobicContact CB-CD1 4.23Å; A647-F704 HydrophobicContact CB-CD2 4.26Å; A647-F704 HydrophobicContact CB-CG 3.9Å; I679-F704 HydrophobicContact CB-CZ 4.34Å; I679-F704 HydrophobicContact CG2-CE1 4.37Å; I679-F704 HydrophobicContact CG2-CZ 3.64Å; W694-F704 HydrophobicContact CD2-CE2 4.12Å; W694-F704 AromaticContact CE3-CE2 3.97Å; W694-F704 HydrophobicContact CE3-CE2 3.97Å; W694-F704 HydrophobicContact CE3-CZ 4.2Å; W694-F704 HydrophobicContact CH2-CD2 4.31Å; W694-F704 AromaticContact CH2-CE2 4Å; W694-F704 HydrophobicContact CH2-CE2 4Å; W694-F704 HydrophobicContact CZ2-CD2 4.39Å; W694-F704 HydrophobicContact CZ2-CE2 4.17Å; W694-F704 AromaticContact CZ3-CE2 3.89Å; W694-F704 HydrophobicContact CZ3-CE2 3.89Å; W694-F704 HydrophobicContact CZ3-CZ 4.1Å; A697-F704 HydrophobicContact CB-CE1 4.31Å; A697-F704 HydrophobicContact CB-CE2 3.95Å; A697-F704 HydrophobicContact CB-CZ 3.52Å; K698-F704 HydrophobicContact CB-CD2 3.91Å; K698-F704 HydrophobicContact CB-CE2 3.92Å; K698-F704 HydrophobicContact CG-CD2 4.23Å; R702-F704 VanDerWaalsContact C-N 3.26Å; R702-F704 PolarHBondContact O-N 2.81Å
705	L	90.5	Very high	90.7	Very high	20 Å²	20	57.2 Å²	57.2	11%	0.105	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-69.2	142.6	174	-71.2	-175.1	0	0	0	110.8	V642 W643 R702 L733 A736 L737	V642-L705 HydrophobicContact CG1-CD2 3.86Å; W643-L705 HydrophobicContact CD2-CD2 4.14Å; W643-L705 HydrophobicContact CE3-CD2 3.76Å; W643-L705 HydrophobicContact CE3-CG 4.39Å; W643-L705 HydrophobicContact CZ3-CD1 4.48Å; W643-L705 HydrophobicContact CZ3-CD2 4.11Å; W643-L705 HydrophobicContact CZ3-CG 4.45Å; R702-L705 HydrophobicContact CB-CD1 3.8Å; R702-L705 HydrophobicContact CB-CG 4.15Å; R702-L705 HydrophobicContact CG-CD1 4.37Å; R702-L705 PolarHBondContact O-N 3.38Å; L705-L733 HydrophobicContact CB-CD1 4.47Å; L705-L733 HydrophobicContact CD2-CD1 4.33Å; L705-A736 HydrophobicContact CD1-CB 3.95Å; L705-A736 HydrophobicContact CD2-CB 4.26Å; L705-L737 HydrophobicContact CD1-CD2 3.68Å; L705-L737 HydrophobicContact CD1-CG 4.12Å
706	P	90.2	Very high	90.7	Very high	23 Å²	23	59.4 Å²	59.4	15%	0.149	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-72	154.6	169.7	33.5	-33.5	0	0	0	110.2	V642 A645 L733	V642-P706 WeakPolarHBondContact O-CD 3.45Å; A645-P706 HydrophobicContact CB-CB 4.05Å; A645-P706 HydrophobicContact CB-CG 3.93Å; P706-L733 HydrophobicContact CG-CD1 3.86Å; P706-L733 HydrophobicContact CG-CD2 3.98Å
707	P	87.8	Confident	90.8	Very high	114 Å²	114	61.7 Å²	61.7	74%	0.74	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-60.9	152.8	169.8	27.5	-34.9	0	0	0	111.2
708	L	90.9	Very high	91.1	Very high	41 Å²	41	61.8 Å²	61.8	22%	0.215	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63.2	138.9	172.7	-74.2	168	0	0	0	110.3	Y710 L715 L733 L737	L708-Y710 PolarHBondContact O-N 2.78Å; L708-L715 HydrophobicContact CD1-CD1 3.96Å; L708-L715 HydrophobicContact CD2-CD1 4.17Å; L708-L733 HydrophobicContact CD2-CD2 4.22Å; L708-L733 HydrophobicContact CD2-CG 4.14Å; L708-L737 HydrophobicContact CD1-CD1 3.9Å; L708-L737 HydrophobicContact CD2-CD1 3.97Å; L708-L737 HydrophobicContact CG-CD1 3.75Å
709	P	88.9	Confident	91.3	Very high	64 Å²	64	61.9 Å²	61.9	42%	0.416	32%	0.32	S	S	.	.	S	Bend	trans	-69	-19.9	-175.5	26.8	-33.9	0	0	0	113.8
710	Y	90.2	Very high	91.3	Very high	129 Å²	129	62.1 Å²	62.1	51%	0.506	32%	0.322	S	S	.	.			trans	-128.6	75.8	178.8	-50.4	-68.5	0	0	0	109.9	L708 D712 A713 Q718	L708-Y710 PolarHBondContact O-N 2.78Å; Y710-D712 PolarHBondContact O-N 2.99Å; Y710-A713 WeakPolarHBondContact O-CB 3.37Å; Y710-A713 PolarHBondContact O-N 3.48Å; Y710-Q718 HydrophobicContact CD2-CG 4.43Å; Y710-Q718 PolarHBondContact O-NE2 3.06Å
711	P	85.8	Confident	91.5	Very high	103 Å²	103	60.8 Å²	60.8	67%	0.669	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.8	-171.9	23.9	-34.3	0	0	0	113.7	A713	P711-A713 VanDerWaalsContact C-N 3.28Å; P711-A713 PolarHBondContact O-N 2.98Å
712	D	88.2	Confident	91.9	Very high	165 Å²	165	55.7 Å²	55.7	88%	0.882	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.7	177.2	-47.8	-70	0	0	0	113.7	Y710	Y710-D712 PolarHBondContact O-N 2.99Å
713	A	90.3	Very high	92.1	Very high	31 Å²	31	50.7 Å²	50.7	26%	0.256	28%	0.275	S	S	.	.	S	Bend	trans	-96.9	130.5	-178.7	0	0	0	0	0	111.2	Y710 P711 Q718	Y710-A713 WeakPolarHBondContact O-CB 3.37Å; Y710-A713 PolarHBondContact O-N 3.48Å; P711-A713 VanDerWaalsContact C-N 3.28Å; P711-A713 PolarHBondContact O-N 2.98Å; A713-Q718 HydrophobicContact CB-CG 3.99Å; A713-Q718 PolarHBondContact O-NE2 3.34Å
714	P	93.1	Very high	92.6	Very high	69 Å²	69	50 Å²	50	45%	0.448	28%	0.278	S	S	.	.			trans	-65.6	142.7	-176.3	29	-36	0	0	0	111.7	Q716 R717 Q718	P714-Q716 VanDerWaalsContact C-N 3.33Å; P714-Q716 PolarHBondContact O-N 3.44Å; P714-R717 HydrophobicContact CG-CB 4.1Å; P714-R717 VanDerWaalsContact O-CB 3.27Å; P714-R717 WeakPolarHBondContact O-CB 3.21Å; P714-R717 PolarHBondContact O-N 2.94Å; P714-Q718 PolarHBondContact O-N 3.18Å
715	L	94.3	Very high	92.9	Very high	29 Å²	29	55.2 Å²	55.2	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-55.5	-41.6	-166.5	178.1	63.3	0	0	0	113.9	L708 R717 Q718 L719 C734 L737 A738	L708-L715 HydrophobicContact CD1-CD1 3.96Å; L708-L715 HydrophobicContact CD2-CD1 4.17Å; L715-R717 PolarHBondContact O-N 2.71Å; L715-Q718 PolarHBondContact O-N 2.85Å; L715-L719 PolarHBondContact O-N 2.99Å; L715-C734 HydrophobicContact CD1-CB 3.94Å; L715-L737 HydrophobicContact CD1-CB 4.49Å; L715-L737 HydrophobicContact CD2-CB 4.11Å; L715-A738 HydrophobicContact CD2-CB 4.12Å
716	Q	94.6	Very high	93.1	Very high	47 Å²	47	59.6 Å²	59.6	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-34	178.6	72.1	-81.4	14.7	0	0	112.1	P714 I720 T742 A745	P714-Q716 VanDerWaalsContact C-N 3.33Å; P714-Q716 PolarHBondContact O-N 3.44Å; Q716-I720 WeakPolarHBondContact O-CB 3.4Å; Q716-I720 WeakPolarHBondContact O-CD1 3.32Å; Q716-I720 WeakPolarHBondContact O-CG1 3.22Å; Q716-I720 PolarHBondContact O-N 2.98Å; Q716-T742 WeakPolarHBondContact CB-O 3.41Å; Q716-A745 HydrophobicContact CB-CB 3.91Å; Q716-A745 HydrophobicContact CG-CB 3.74Å
717	R	94.9	Very high	93.3	Very high	110 Å²	110	61.1 Å²	61.1	42%	0.415	32%	0.324	S	S	.	.	H	α-helix	trans	-69.7	-46.2	178.1	-165.1	-173	175.4	162.8	5.5	110.5	P714 L715 L719 I720 D721 Y747	P714-R717 HydrophobicContact CG-CB 4.1Å; P714-R717 VanDerWaalsContact O-CB 3.27Å; P714-R717 WeakPolarHBondContact O-CB 3.21Å; P714-R717 PolarHBondContact O-N 2.94Å; L715-R717 PolarHBondContact O-N 2.71Å; R717-L719 VanDerWaalsContact C-N 3.34Å; R717-L719 PolarHBondContact O-N 2.97Å; R717-I720 PolarHBondContact O-N 2.84Å; R717-D721 IonicContact NE-OD2 2.78Å; R717-D721 WeakPolarHBondContact O-CB 3.39Å; R717-D721 PolarHBondContact O-N 2.86Å; R717-Y747 HydrophobicContact CB-CE2 4.46Å; R717-Y747 HydrophobicContact CG-CD2 3.87Å; R717-Y747 HydrophobicContact CG-CE1 4.23Å; R717-Y747 HydrophobicContact CG-CE2 3.39Å; R717-Y747 VanDerWaalsContact NE-CZ 3.31Å; R717-Y747 PolarHBondContact NE-OH 3.44Å; R717-Y747 PolarHBondContact NH2-OH 2.96Å; R717-Y747 VanDerWaalsContact NH2-OH 3.11Å
718	Q	96	Very high	93.7	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-42.1	175.6	-64.4	-171	70.2	0	0	111.9	Y710 A713 P714 L715 A722	Y710-Q718 HydrophobicContact CD2-CG 4.43Å; Y710-Q718 PolarHBondContact O-NE2 3.06Å; A713-Q718 HydrophobicContact CB-CG 3.99Å; A713-Q718 PolarHBondContact O-NE2 3.34Å; P714-Q718 PolarHBondContact O-N 3.18Å; L715-Q718 PolarHBondContact O-N 2.85Å; Q718-A722 VanDerWaalsContact O-CB 3.23Å; Q718-A722 WeakPolarHBondContact O-CB 3.22Å; Q718-A722 PolarHBondContact O-N 2.75Å
719	L	96.9	Very high	94	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-47.3	174.6	176.9	59.3	0	0	0	111.9	L715 R717 A722 I723 V731 C734 L735 A755 L771	L715-L719 PolarHBondContact O-N 2.99Å; R717-L719 VanDerWaalsContact C-N 3.34Å; R717-L719 PolarHBondContact O-N 2.97Å; L719-A722 PolarHBondContact O-N 2.68Å; L719-I723 HydrophobicContact CD1-CD1 4.03Å; L719-I723 HydrophobicContact CD1-CG1 4.44Å; L719-I723 HydrophobicContact CG-CD1 4.1Å; L719-I723 VanDerWaalsContact O-CG1 3.31Å; L719-I723 WeakPolarHBondContact O-CG1 3.47Å; L719-I723 PolarHBondContact O-N 3.11Å; L719-V731 HydrophobicContact CD1-CG1 4.28Å; L719-C734 HydrophobicContact CB-CB 3.87Å; L719-C734 HydrophobicContact CD1-CB 3.82Å; L719-C734 HydrophobicContact CG-CB 4.39Å; L719-L735 HydrophobicContact CD1-CD2 3.98Å; L719-L735 HydrophobicContact CD1-CG 4.05Å; L719-L735 HydrophobicContact CD2-CD2 4.1Å; L719-A755 HydrophobicContact CD2-CB 4.24Å; L719-A755 HydrophobicContact CG-CB 4.4Å; L719-L771 HydrophobicContact CD2-CD2 4.37Å
720	I	96.4	Very high	94.3	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-43.6	-179.8	-68.6	163	0	0	0	111.4	Q716 R717 A722 I723 A724 Y747 A755 I758	Q716-I720 WeakPolarHBondContact O-CB 3.4Å; Q716-I720 WeakPolarHBondContact O-CD1 3.32Å; Q716-I720 WeakPolarHBondContact O-CG1 3.22Å; Q716-I720 PolarHBondContact O-N 2.98Å; R717-I720 PolarHBondContact O-N 2.84Å; I720-A722 VanDerWaalsContact C-N 3.28Å; I720-A722 PolarHBondContact O-N 3.04Å; I720-I723 PolarHBondContact O-N 3.2Å; I720-A724 WeakPolarHBondContact O-CB 3.27Å; I720-A724 PolarHBondContact O-N 3.25Å; I720-Y747 HydrophobicContact CB-CD2 3.75Å; I720-Y747 HydrophobicContact CB-CE2 4.28Å; I720-Y747 HydrophobicContact CD1-CD2 4.09Å; I720-Y747 HydrophobicContact CG2-CD2 3.45Å; I720-Y747 VanDerWaalsContact CG2-CD2 3.45Å; I720-Y747 HydrophobicContact CG2-CE2 4Å; I720-Y747 HydrophobicContact CG2-CG 4.4Å; I720-A755 HydrophobicContact CG1-CB 3.94Å; I720-I758 HydrophobicContact CG2-CG1 3.9Å
721	D	95.7	Very high	94.6	Very high	48 Å²	48	51.7 Å²	51.7	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-34.9	175.5	-71.5	-42.6	0	0	0	111.3	R717 R725 Y747	R717-D721 IonicContact NE-OD2 2.78Å; R717-D721 WeakPolarHBondContact O-CB 3.39Å; R717-D721 PolarHBondContact O-N 2.86Å; D721-R725 VanDerWaalsContact CB-NH2 3.3Å; D721-R725 WeakPolarHBondContact O-CB 3.29Å; D721-R725 WeakPolarHBondContact O-CG 3.35Å; D721-R725 VanDerWaalsContact O-CZ 3.31Å; D721-R725 PolarHBondContact O-N 2.79Å; D721-R725 PolarHBondContact O-NE 3.46Å; D721-R725 VanDerWaalsContact O-NE 3.14Å; D721-Y747 WeakPolarHBondContact OD1-CE2 3.11Å; D721-Y747 PolarHBondContact OD1-OH 3.35Å; D721-Y747 PolarHBondContact OD2-OH 3.39Å
722	A	96.5	Very high	95.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-44.6	175.2	0	0	0	0	0	112.3	Q718 L719 I720 R725 Q726 D727 Q730 V731	Q718-A722 VanDerWaalsContact O-CB 3.23Å; Q718-A722 WeakPolarHBondContact O-CB 3.22Å; Q718-A722 PolarHBondContact O-N 2.75Å; L719-A722 PolarHBondContact O-N 2.68Å; I720-A722 VanDerWaalsContact C-N 3.28Å; I720-A722 PolarHBondContact O-N 3.04Å; A722-R725 CarbonylContact O-C 3.6Å; A722-R725 PolarHBondContact O-N 2.88Å; A722-Q726 PolarHBondContact O-N 3.15Å; A722-D727 PolarHBondContact O-N 3.07Å; A722-Q730 HydrophobicContact CB-CB 3.86Å; A722-Q730 HydrophobicContact CB-CG 3.8Å; A722-V731 HydrophobicContact CB-CG2 3.72Å
723	I	97	Very high	95.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-46.9	173	-72.4	167.2	0	0	0	110.2	L719 I720 R725 Q726 V731 A755 I758 A759 L762 Y767 L771	L719-I723 HydrophobicContact CD1-CD1 4.03Å; L719-I723 HydrophobicContact CD1-CG1 4.44Å; L719-I723 HydrophobicContact CG-CD1 4.1Å; L719-I723 VanDerWaalsContact O-CG1 3.31Å; L719-I723 WeakPolarHBondContact O-CG1 3.47Å; L719-I723 PolarHBondContact O-N 3.11Å; I720-I723 PolarHBondContact O-N 3.2Å; I723-R725 VanDerWaalsContact C-N 3.28Å; I723-R725 PolarHBondContact O-N 3.11Å; I723-Q726 PolarHBondContact O-N 3.31Å; I723-V731 HydrophobicContact CG1-CG2 3.76Å; I723-A755 HydrophobicContact CD1-CB 3.75Å; I723-I758 HydrophobicContact CG2-CB 4.15Å; I723-I758 HydrophobicContact CG2-CG2 3.85Å; I723-A759 HydrophobicContact CG2-CB 4.22Å; I723-L762 HydrophobicContact CG2-CD1 3.99Å; I723-L762 VanDerWaalsContact O-CD1 3.23Å; I723-L762 WeakPolarHBondContact O-CD1 3.28Å; I723-Y767 HydrophobicContact CB-CD2 4.42Å; I723-Y767 HydrophobicContact CG1-CD2 4.23Å; I723-Y767 HydrophobicContact CG2-CD2 4.06Å; I723-L771 HydrophobicContact CD1-CD1 4.1Å; I723-L771 HydrophobicContact CD1-CD2 4.33Å
724	A	96.1	Very high	95.7	Very high	39 Å²	39	38.2 Å²	38.2	32%	0.322	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-32.9	178.6	0	0	0	0	0	113.2	I720 I758	I720-A724 WeakPolarHBondContact O-CB 3.27Å; I720-A724 PolarHBondContact O-N 3.25Å; A724-I758 HydrophobicContact CB-CG2 4.31Å
725	R	95.8	Very high	95.9	Very high	115 Å²	115	35.1 Å²	35.1	43%	0.434	16%	0.164	S	C	.	.	H	α-helix	trans	-84.6	-6.6	174.1	-75.8	179.6	-84.7	106.2	-4	114.4	D721 A722 I723 D727 Q730	D721-R725 VanDerWaalsContact CB-NH2 3.3Å; D721-R725 WeakPolarHBondContact O-CB 3.29Å; D721-R725 WeakPolarHBondContact O-CG 3.35Å; D721-R725 VanDerWaalsContact O-CZ 3.31Å; D721-R725 PolarHBondContact O-N 2.79Å; D721-R725 PolarHBondContact O-NE 3.46Å; D721-R725 VanDerWaalsContact O-NE 3.14Å; A722-R725 CarbonylContact O-C 3.6Å; A722-R725 PolarHBondContact O-N 2.88Å; I723-R725 VanDerWaalsContact C-N 3.28Å; I723-R725 PolarHBondContact O-N 3.11Å; R725-D727 HydrophobicContact CB-CB 4.44Å; R725-D727 IonicContact NH1-OD2 3.19Å; R725-D727 PolarHBondContact O-N 2.82Å; R725-Q730 VanDerWaalsContact CZ-OE1 3.27Å
726	Q	95	Very high	95.9	Very high	112 Å²	112	33.8 Å²	33.8	52%	0.523	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	34.9	-170.4	-52.6	-170.6	39.1	0	0	113.6	A722 I723 T728 L762 Y767	A722-Q726 PolarHBondContact O-N 3.15Å; I723-Q726 PolarHBondContact O-N 3.31Å; Q726-T728 PolarHBondContact O-N 3.41Å; Q726-T728 VanDerWaalsContact O-N 3.13Å; Q726-L762 HydrophobicContact CG-CD1 4.47Å; Q726-Y767 VanDerWaalsContact CA-OH 3.31Å; Q726-Y767 WeakPolarHBondContact CA-OH 3.42Å; Q726-Y767 HydrophobicContact CB-CE2 4.44Å; Q726-Y767 HydrophobicContact CG-CE2 4.47Å; Q726-Y767 PolarHBondContact O-OH 2.87Å
727	D	96	Very high	95.8	Very high	54 Å²	54	34.2 Å²	34.2	29%	0.289	16%	0.161	S	C	.	.			trans	-83.8	81.8	176.4	-178.1	-11.7	0	0	0	109.9	A722 R725 R729 Q730 V731	A722-D727 PolarHBondContact O-N 3.07Å; R725-D727 HydrophobicContact CB-CB 4.44Å; R725-D727 IonicContact NH1-OD2 3.19Å; R725-D727 PolarHBondContact O-N 2.82Å; D727-R729 PolarHBondContact O-N 2.91Å; D727-R729 VanDerWaalsContact O-N 3.14Å; D727-R729 PolarHBondContact OD1-N 2.79Å; D727-Q730 HydrophobicContact CB-CB 4.08Å; D727-Q730 PolarHBondContact O-N 2.92Å; D727-Q730 VanDerWaalsContact O-N 3.1Å; D727-Q730 WeakPolarHBondContact OD1-CB 3.39Å; D727-Q730 PolarHBondContact OD1-N 3.41Å; D727-Q730 WeakPolarHBondContact OD2-CB 3.46Å; D727-V731 WeakPolarHBondContact O-CG2 3.2Å; D727-V731 PolarHBondContact O-N 2.93Å
728	T	95.7	Very high	95.7	Very high	31 Å²	31	29.8 Å²	29.8	19%	0.19	15%	0.148	C	C	.	.	H	α-helix	trans	-56	-31.1	-178.8	-55.6	0	0	0	0	112.5	I634 L638 Q726 I732 Y767	I634-T728 HydrophobicContact CG1-CG2 4.36Å; L638-T728 HydrophobicContact CD2-CG2 3.67Å; Q726-T728 PolarHBondContact O-N 3.41Å; Q726-T728 VanDerWaalsContact O-N 3.13Å; T728-I732 HydrophobicContact CG2-CD1 4.01Å; T728-I732 HydrophobicContact CG2-CG1 4.45Å; T728-I732 WeakPolarHBondContact O-CD1 3.32Å; T728-I732 VanDerWaalsContact O-CG1 3.23Å; T728-I732 WeakPolarHBondContact O-CG1 3.43Å; T728-I732 PolarHBondContact O-N 2.85Å; T728-Y767 HydrophobicContact CG2-CE1 4.28Å; T728-Y767 PolarHBondContact N-OH 2.75Å; T728-Y767 PolarHBondContact OG1-OH 2.78Å
729	R	95.9	Very high	95.5	Very high	96 Å²	96	32.6 Å²	32.6	36%	0.362	17%	0.165	S	C	.	.	H	α-helix	trans	-67.2	-46.8	177.4	-168.3	179.3	170.9	-92.1	-1.7	111	L638 S641 V642 D727 I732 L733	L638-R729 HydrophobicContact CD1-CB 4.06Å; L638-R729 HydrophobicContact CD1-CG 4.33Å; S641-R729 VanDerWaalsContact O-CZ 3.28Å; S641-R729 PolarHBondContact O-NE 3.4Å; S641-R729 PolarHBondContact O-NH2 3.24Å; S641-R729 PolarHBondContact OG-NE 2.92Å; V642-R729 HydrophobicContact CG2-CG 3.44Å; V642-R729 VanDerWaalsContact CG2-CG 3.44Å; D727-R729 PolarHBondContact O-N 2.91Å; D727-R729 VanDerWaalsContact O-N 3.14Å; D727-R729 PolarHBondContact OD1-N 2.79Å; R729-I732 PolarHBondContact O-N 3.29Å; R729-L733 PolarHBondContact O-N 3.05Å
730	Q	95.4	Very high	95.3	Very high	21 Å²	21	35.2 Å²	35.2	10%	0.098	18%	0.182	C	C	.	.	H	α-helix	trans	-71.6	-31.5	177.5	-168.4	172.8	103.8	0	0	112.4	A722 R725 D727 L733 C734	A722-Q730 HydrophobicContact CB-CB 3.86Å; A722-Q730 HydrophobicContact CB-CG 3.8Å; R725-Q730 VanDerWaalsContact CZ-OE1 3.27Å; D727-Q730 HydrophobicContact CB-CB 4.08Å; D727-Q730 PolarHBondContact O-N 2.92Å; D727-Q730 VanDerWaalsContact O-N 3.1Å; D727-Q730 WeakPolarHBondContact OD1-CB 3.39Å; D727-Q730 PolarHBondContact OD1-N 3.41Å; D727-Q730 WeakPolarHBondContact OD2-CB 3.46Å; Q730-L733 PolarHBondContact O-N 3.43Å; Q730-C734 WeakPolarHBondContact O-CB 3.34Å; Q730-C734 PolarHBondContact O-N 3.44Å; Q730-C734 PolarHBondContact O-SG 3.46Å
731	V	96.9	Very high	95.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-48.7	170.3	172.7	0	0	0	0	110.8	L719 A722 I723 D727 L733 C734 L735 Y767	L719-V731 HydrophobicContact CD1-CG1 4.28Å; A722-V731 HydrophobicContact CB-CG2 3.72Å; I723-V731 HydrophobicContact CG1-CG2 3.76Å; D727-V731 WeakPolarHBondContact O-CG2 3.2Å; D727-V731 PolarHBondContact O-N 2.93Å; V731-L733 VanDerWaalsContact C-N 3.35Å; V731-L733 PolarHBondContact O-N 2.99Å; V731-C734 PolarHBondContact O-N 3.01Å; V731-L735 HydrophobicContact CG1-CD1 3.82Å; V731-L735 HydrophobicContact CG1-CG 4.3Å; V731-L735 WeakPolarHBondContact O-CB 3.34Å; V731-L735 VanDerWaalsContact O-CG 3.31Å; V731-L735 WeakPolarHBondContact O-CG 3.26Å; V731-L735 PolarHBondContact O-N 3.06Å; V731-Y767 HydrophobicContact CG1-CD1 4.39Å; V731-Y767 HydrophobicContact CG1-CE1 4.47Å; V731-Y767 HydrophobicContact CG2-CE1 4.48Å; V731-Y767 HydrophobicContact CG2-CE2 4.49Å
732	I	96.5	Very high	95	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.062	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-45.1	176.4	-67.4	162.8	0	0	0	110.8	I634 L638 V642 T728 R729 C734 L735 A736	I634-I732 HydrophobicContact CD1-CD1 4.01Å; I634-I732 HydrophobicContact CD1-CG1 4.35Å; I634-I732 HydrophobicContact CG1-CD1 4.08Å; I634-I732 HydrophobicContact CG2-CD1 3.78Å; L638-I732 HydrophobicContact CD2-CD1 4.02Å; L638-I732 HydrophobicContact CG-CD1 4.18Å; V642-I732 HydrophobicContact CB-CG2 4.17Å; V642-I732 HydrophobicContact CG1-CG2 4.12Å; V642-I732 HydrophobicContact CG2-CB 4.35Å; V642-I732 HydrophobicContact CG2-CG2 4.17Å; T728-I732 HydrophobicContact CG2-CD1 4.01Å; T728-I732 HydrophobicContact CG2-CG1 4.45Å; T728-I732 WeakPolarHBondContact O-CD1 3.32Å; T728-I732 VanDerWaalsContact O-CG1 3.23Å; T728-I732 WeakPolarHBondContact O-CG1 3.43Å; T728-I732 PolarHBondContact O-N 2.85Å; R729-I732 PolarHBondContact O-N 3.29Å; I732-C734 PolarHBondContact O-N 3.07Å; I732-L735 PolarHBondContact O-N 3.22Å; I732-A736 VanDerWaalsContact O-CB 3.28Å; I732-A736 WeakPolarHBondContact O-CB 3.46Å; I732-A736 PolarHBondContact O-N 3.05Å
733	L	96	Very high	94.9	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-44	177.1	177.7	59.3	0	0	0	112.5	V642 L705 P706 L708 R729 Q730 V731 A736 L737	V642-L733 HydrophobicContact CG1-CB 3.91Å; V642-L733 HydrophobicContact CG1-CD1 4.04Å; L705-L733 HydrophobicContact CB-CD1 4.47Å; L705-L733 HydrophobicContact CD2-CD1 4.33Å; P706-L733 HydrophobicContact CG-CD1 3.86Å; P706-L733 HydrophobicContact CG-CD2 3.98Å; L708-L733 HydrophobicContact CD2-CD2 4.22Å; L708-L733 HydrophobicContact CD2-CG 4.14Å; R729-L733 PolarHBondContact O-N 3.05Å; Q730-L733 PolarHBondContact O-N 3.43Å; V731-L733 VanDerWaalsContact C-N 3.35Å; V731-L733 PolarHBondContact O-N 2.99Å; L733-A736 PolarHBondContact O-N 2.65Å; L733-L737 HydrophobicContact CD1-CD1 4.5Å; L733-L737 PolarHBondContact O-N 2.81Å
734	C	96.1	Very high	94.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-43.8	179.2	-66.4	0	0	0	0	111.5	L715 L719 Q730 V731 I732 A736 L737 A738	L715-C734 HydrophobicContact CD1-CB 3.94Å; L719-C734 HydrophobicContact CB-CB 3.87Å; L719-C734 HydrophobicContact CD1-CB 3.82Å; L719-C734 HydrophobicContact CG-CB 4.39Å; Q730-C734 WeakPolarHBondContact O-CB 3.34Å; Q730-C734 PolarHBondContact O-N 3.44Å; Q730-C734 PolarHBondContact O-SG 3.46Å; V731-C734 PolarHBondContact O-N 3.01Å; I732-C734 PolarHBondContact O-N 3.07Å; C734-A736 VanDerWaalsContact C-N 3.33Å; C734-A736 PolarHBondContact O-N 3.11Å; C734-L737 PolarHBondContact O-N 2.9Å; C734-L737 VanDerWaalsContact O-N 3.14Å; C734-A738 WeakPolarHBondContact O-CB 3.27Å; C734-A738 PolarHBondContact O-N 2.89Å
735	L	96	Very high	94.7	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-34.5	176.7	-67.8	176.4	0	0	0	112.6	L719 V731 I732 L737 A738 V743 L770 L771 Y774	L719-L735 HydrophobicContact CD1-CD2 3.98Å; L719-L735 HydrophobicContact CD1-CG 4.05Å; L719-L735 HydrophobicContact CD2-CD2 4.1Å; V731-L735 HydrophobicContact CG1-CD1 3.82Å; V731-L735 HydrophobicContact CG1-CG 4.3Å; V731-L735 WeakPolarHBondContact O-CB 3.34Å; V731-L735 VanDerWaalsContact O-CG 3.31Å; V731-L735 WeakPolarHBondContact O-CG 3.26Å; V731-L735 PolarHBondContact O-N 3.06Å; I732-L735 PolarHBondContact O-N 3.22Å; L735-L737 PolarHBondContact O-N 2.84Å; L735-A738 PolarHBondContact O-N 2.92Å; L735-V743 HydrophobicContact CD2-CG2 4.39Å; L735-L770 HydrophobicContact CD1-CB 3.97Å; L735-L771 HydrophobicContact CD2-CD2 4.14Å; L735-Y774 HydrophobicContact CB-CD1 4.18Å; L735-Y774 HydrophobicContact CB-CD2 4.15Å; L735-Y774 HydrophobicContact CB-CE1 4.28Å; L735-Y774 HydrophobicContact CB-CE2 4.26Å; L735-Y774 HydrophobicContact CB-CG 4.14Å; L735-Y774 HydrophobicContact CD1-CD2 4.03Å; L735-Y774 HydrophobicContact CD1-CE2 4.36Å; L735-Y774 HydrophobicContact CD2-CD2 4.44Å; L735-Y774 HydrophobicContact CD2-CG 4.21Å; L735-Y774 HydrophobicContact CG-CD2 4.44Å; L735-Y774 WeakPolarHBondContact O-CD1 3.38Å; L735-Y774 WeakPolarHBondContact O-CE1 3.41Å
736	A	94.3	Very high	94.6	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-24	174.2	0	0	0	0	0	113.2	W643 R702 L705 I732 L733 C734	W643-A736 HydrophobicContact CH2-CB 3.52Å; W643-A736 HydrophobicContact CZ2-CB 3.51Å; W643-A736 HydrophobicContact CZ3-CB 4.23Å; R702-A736 PolarHBondContact NE-O 2.91Å; R702-A736 VanDerWaalsContact NE-O 3.16Å; R702-A736 PolarHBondContact NH1-O 3.46Å; R702-A736 VanDerWaalsContact NH1-O 3.11Å; R702-A736 PolarHBondContact NH2-O 2.86Å; L705-A736 HydrophobicContact CD1-CB 3.95Å; L705-A736 HydrophobicContact CD2-CB 4.26Å; I732-A736 VanDerWaalsContact O-CB 3.28Å; I732-A736 WeakPolarHBondContact O-CB 3.46Å; I732-A736 PolarHBondContact O-N 3.05Å; L733-A736 PolarHBondContact O-N 2.65Å; C734-A736 VanDerWaalsContact C-N 3.33Å; C734-A736 PolarHBondContact O-N 3.11Å
737	L	92.6	Very high	94.5	Very high	56 Å²	56	34.8 Å²	34.8	29%	0.293	19%	0.19	S	C	.	.	H	α-helix	trans	-101.6	-18.7	177.7	-65.6	176.2	0	0	0	113.7	L705 L708 L715 L733 C734 L735	L705-L737 HydrophobicContact CD1-CD2 3.68Å; L705-L737 HydrophobicContact CD1-CG 4.12Å; L708-L737 HydrophobicContact CD1-CD1 3.9Å; L708-L737 HydrophobicContact CD2-CD1 3.97Å; L708-L737 HydrophobicContact CG-CD1 3.75Å; L715-L737 HydrophobicContact CD1-CB 4.49Å; L715-L737 HydrophobicContact CD2-CB 4.11Å; L733-L737 HydrophobicContact CD1-CD1 4.5Å; L733-L737 PolarHBondContact O-N 2.81Å; C734-L737 PolarHBondContact O-N 2.9Å; C734-L737 VanDerWaalsContact O-N 3.14Å; L735-L737 PolarHBondContact O-N 2.84Å
738	A	92.7	Very high	94.2	Very high	16 Å²	16	34.2 Å²	34.2	13%	0.132	19%	0.19	C	C	.	.			trans	-69.6	150.5	-168.7	0	0	0	0	0	115.1	L715 C734 L735 V743	L715-A738 HydrophobicContact CD2-CB 4.12Å; C734-A738 WeakPolarHBondContact O-CB 3.27Å; C734-A738 PolarHBondContact O-N 2.89Å; L735-A738 PolarHBondContact O-N 2.92Å; A738-V743 HydrophobicContact CB-CG2 3.62Å
739	T	92.5	Very high	93.6	Very high	63 Å²	63	41 Å²	41	39%	0.387	22%	0.224	S	C	.	.			trans	-107.7	160.8	165.4	77.3	0	0	0	0	110.2	E741 T742 V743	T739-E741 WeakPolarHBondContact CB-OE2 3.39Å; T739-E741 PolarHBondContact O-N 3.25Å; T739-E741 VanDerWaalsContact O-N 3.11Å; T739-E741 PolarHBondContact OG1-OE2 2.85Å; T739-T742 PolarHBondContact N-OG1 2.86Å; T739-T742 PolarHBondContact O-N 2.76Å; T739-T742 PolarHBondContact O-OG1 2.95Å; T739-V743 PolarHBondContact O-N 3.45Å
740	P	91.9	Very high	93.1	Very high	57 Å²	57	44.1 Å²	44.1	37%	0.37	24%	0.243	S	C	.	.	H	α-helix	trans	-53.7	-33.3	179	-26.3	35.7	0	0	0	113.8	N744 N775	P740-N744 WeakPolarHBondContact O-CB 3.5Å; P740-N744 PolarHBondContact O-N 2.95Å; P740-N744 PolarHBondContact O-ND2 3.3Å; P740-N775 HydrophobicContact CB-CB 3.98Å; P740-N775 HydrophobicContact CG-CB 3.92Å
741	E	92.6	Very high	92.8	Very high	133 Å²	133	44.9 Å²	44.9	62%	0.621	25%	0.248	S	C	*	.	H	α-helix	trans	-66.8	-43.4	177	-54.4	70.3	-149.2	0	0	110.8	T739 A745	T739-E741 WeakPolarHBondContact CB-OE2 3.39Å; T739-E741 PolarHBondContact O-N 3.25Å; T739-E741 VanDerWaalsContact O-N 3.11Å; T739-E741 PolarHBondContact OG1-OE2 2.85Å; E741-A745 WeakPolarHBondContact O-CB 3.31Å; E741-A745 PolarHBondContact O-N 2.86Å
742	T	94	Very high	92.4	Very high	30 Å²	30	46 Å²	46	18%	0.184	26%	0.255	C	S	.	.	H	α-helix	trans	-73.3	-29.9	179.1	60.9	0	0	0	0	113.9	Q716 T739 N744	Q716-T742 WeakPolarHBondContact CB-O 3.41Å; T739-T742 PolarHBondContact N-OG1 2.86Å; T739-T742 PolarHBondContact O-N 2.76Å; T739-T742 PolarHBondContact O-OG1 2.95Å; T742-N744 VanDerWaalsContact C-N 3.35Å
743	V	94.9	Very high	92.2	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-70.3	-34.8	176.4	177.8	0	0	0	0	111.4	L735 A738 T739 L771	L735-V743 HydrophobicContact CD2-CG2 4.39Å; A738-V743 HydrophobicContact CB-CG2 3.62Å; T739-V743 PolarHBondContact O-N 3.45Å; V743-L771 HydrophobicContact CG1-CD2 3.73Å
744	N	94.8	Very high	92.2	Very high	39 Å²	39	47.7 Å²	47.7	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-95	-7.2	-177	-66.3	-57.6	0	0	0	114.3	P740 T742 A754 N775 G776 D777 V780	P740-N744 WeakPolarHBondContact O-CB 3.5Å; P740-N744 PolarHBondContact O-N 2.95Å; P740-N744 PolarHBondContact O-ND2 3.3Å; T742-N744 VanDerWaalsContact C-N 3.35Å; N744-A754 WeakPolarHBondContact O-CB 3.45Å; N744-N775 PolarHBondContact ND2-O 3.39Å; N744-G776 WeakPolarHBondContact OD1-CA 3.36Å; N744-D777 PolarHBondContact OD1-N 2.86Å; N744-V780 HydrophobicContact CB-CG2 4.15Å
745	A	93.7	Very high	92.2	Very high	29 Å²	29	47.8 Å²	47.8	24%	0.24	26%	0.261	C	S	.	.			trans	-67.4	145.2	177.3	0	0	0	0	0	112.6	Q716 E741 A754	Q716-A745 HydrophobicContact CB-CB 3.91Å; Q716-A745 HydrophobicContact CG-CB 3.74Å; E741-A745 WeakPolarHBondContact O-CB 3.31Å; E741-A745 PolarHBondContact O-N 2.86Å; A745-A754 WeakPolarHBondContact O-CA 3.42Å
746	A	93.1	Very high	92.2	Very high	36 Å²	36	47.8 Å²	47.8	30%	0.298	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-67.9	159.3	171.4	0	0	0	0	0	112.8
747	Y	92.3	Very high	92.2	Very high	43 Å²	43	47.7 Å²	47.7	17%	0.169	26%	0.261	C	S	.	.	S	Bend	trans	-61.1	-46.2	176.2	-171.2	-97.3	0	0	0	112.7	R717 I720 D721 D751 R753	R717-Y747 HydrophobicContact CB-CE2 4.46Å; R717-Y747 HydrophobicContact CG-CD2 3.87Å; R717-Y747 HydrophobicContact CG-CE1 4.23Å; R717-Y747 HydrophobicContact CG-CE2 3.39Å; R717-Y747 VanDerWaalsContact NE-CZ 3.31Å; R717-Y747 PolarHBondContact NE-OH 3.44Å; R717-Y747 PolarHBondContact NH2-OH 2.96Å; R717-Y747 VanDerWaalsContact NH2-OH 3.11Å; I720-Y747 HydrophobicContact CB-CD2 3.75Å; I720-Y747 HydrophobicContact CB-CE2 4.28Å; I720-Y747 HydrophobicContact CD1-CD2 4.09Å; I720-Y747 HydrophobicContact CG2-CD2 3.45Å; I720-Y747 VanDerWaalsContact CG2-CD2 3.45Å; I720-Y747 HydrophobicContact CG2-CE2 4Å; I720-Y747 HydrophobicContact CG2-CG 4.4Å; D721-Y747 WeakPolarHBondContact OD1-CE2 3.11Å; D721-Y747 PolarHBondContact OD1-OH 3.35Å; D721-Y747 PolarHBondContact OD2-OH 3.39Å; Y747-D751 WeakPolarHBondContact CB-O 3.43Å; Y747-D751 HydrophobicContact CD1-CB 4.04Å; Y747-D751 HydrophobicContact CG-CB 4.44Å; Y747-D751 PolarHBondContact N-O 3.03Å; Y747-R753 PolarHBondContact N-O 3.25Å
748	S	89.5	Confident	92.4	Very high	41 Å²	41	45.2 Å²	45.2	29%	0.287	25%	0.247	S	C	.	.			trans	-159	-175.7	171	79.5	0	0	0	0	111.7	Q750 D751	S748-Q750 PolarHBondContact O-N 2.6Å; S748-Q750 PolarHBondContact OG-N 3.24Å; S748-Q750 PolarHBondContact OG-OE1 2.77Å; S748-D751 PolarHBondContact N-O 2.8Å; S748-D751 CarbonylContact O-C 3.35Å; S748-D751 PolarHBondContact OG-N 3.31Å; S748-D751 VanDerWaalsContact OG-N 3.09Å
749	L	84	Confident	92.6	Very high	174 Å²	174	44.4 Å²	44.4	91%	0.911	24%	0.241	S	C	*	.	S	Bend	trans	-70.1	-15.3	169.4	-65.4	174.8	0	0	0	113.2
750	Q	85.6	Confident	92.7	Very high	161 Å²	161	41.4 Å²	41.4	75%	0.752	22%	0.223	S	C	*	.	S	Bend	trans	-98.3	-30.1	176.6	-55.6	83.7	9.1	0	0	112.4	S748	S748-Q750 PolarHBondContact O-N 2.6Å; S748-Q750 PolarHBondContact OG-N 3.24Å; S748-Q750 PolarHBondContact OG-OE1 2.77Å
751	D	88.6	Confident	92.9	Very high	37 Å²	37	40.6 Å²	40.6	20%	0.198	22%	0.216	C	C	.	.			trans	-117.3	96.2	173.4	-172.8	-8	0	0	0	110.1	Y747 S748 R753	Y747-D751 WeakPolarHBondContact CB-O 3.43Å; Y747-D751 HydrophobicContact CD1-CB 4.04Å; Y747-D751 HydrophobicContact CG-CB 4.44Å; Y747-D751 PolarHBondContact N-O 3.03Å; S748-D751 PolarHBondContact N-O 2.8Å; S748-D751 CarbonylContact O-C 3.35Å; S748-D751 PolarHBondContact OG-N 3.31Å; S748-D751 VanDerWaalsContact OG-N 3.09Å; D751-R753 PolarHBondContact O-N 3.41Å; D751-R753 VanDerWaalsContact O-N 3.15Å; D751-R753 WeakPolarHBondContact OD1-CB 3.35Å; D751-R753 VanDerWaalsContact OD1-CG 3.31Å; D751-R753 WeakPolarHBondContact OD1-CG 3.22Å; D751-R753 IonicContact OD1-CZ 3.98Å; D751-R753 PolarHBondContact OD1-N 2.97Å; D751-R753 IonicContact OD1-NE 3.35Å; D751-R753 PolarHBondContact OD1-NE 3.02Å; D751-R753 IonicContact OD1-NH2 2.75Å; D751-R753 IonicContact OD2-CZ 3.17Å; D751-R753 IonicContact OD2-NE 2.81Å; D751-R753 PolarHBondContact OD2-NE 3.25Å; D751-R753 IonicContact OD2-NH2 3.81Å; D751-R753 PolarHBondContact OD2-NH2 2.87Å
752	P	89.6	Confident	93	Very high	27 Å²	27	37.2 Å²	37.2	18%	0.175	20%	0.203	C	C	.	.			trans	-77	5.7	-173.5	28.4	-29.7	0	0	0	113.6	A754 D782 H783	P752-A754 PolarHBondContact O-N 3.21Å; P752-D782 HydrophobicContact CB-CB 4.15Å; P752-D782 HydrophobicContact CG-CB 4.15Å; P752-H783 HydrophobicContact CB-CB 4.14Å; P752-H783 HydrophobicContact CG-CB 4.07Å; P752-H783 WeakPolarHBondContact CG-CD2 3.27Å
753	R	92.3	Very high	93	Very high	51 Å²	51	37 Å²	37	19%	0.192	21%	0.207	C	C	.	.			trans	-78.2	107.8	-177.5	-62.9	176.8	-61.5	161.9	5.4	111	Y747 D751 H757 I758	Y747-R753 PolarHBondContact N-O 3.25Å; D751-R753 PolarHBondContact O-N 3.41Å; D751-R753 VanDerWaalsContact O-N 3.15Å; D751-R753 WeakPolarHBondContact OD1-CB 3.35Å; D751-R753 VanDerWaalsContact OD1-CG 3.31Å; D751-R753 WeakPolarHBondContact OD1-CG 3.22Å; D751-R753 IonicContact OD1-CZ 3.98Å; D751-R753 PolarHBondContact OD1-N 2.97Å; D751-R753 IonicContact OD1-NE 3.35Å; D751-R753 PolarHBondContact OD1-NE 3.02Å; D751-R753 IonicContact OD1-NH2 2.75Å; D751-R753 IonicContact OD2-CZ 3.17Å; D751-R753 IonicContact OD2-NE 2.81Å; D751-R753 PolarHBondContact OD2-NE 3.25Å; D751-R753 IonicContact OD2-NH2 3.81Å; D751-R753 PolarHBondContact OD2-NH2 2.87Å; R753-H757 HydrophobicContact CB-CB 4.15Å; R753-H757 HydrophobicContact CG-CB 4.48Å; R753-I758 HydrophobicContact CB-CD1 3.75Å; R753-I758 HydrophobicContact CB-CG1 4.39Å; R753-I758 HydrophobicContact CG-CD1 4.37Å
754	A	94.5	Very high	93	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-63.7	163.7	163.3	0	0	0	0	0	113.1	N744 A745 P752 I756 H757 V780	N744-A754 WeakPolarHBondContact O-CB 3.45Å; A745-A754 WeakPolarHBondContact O-CA 3.42Å; P752-A754 PolarHBondContact O-N 3.21Å; A754-I756 VanDerWaalsContact C-N 3.27Å; A754-I756 PolarHBondContact O-N 3.08Å; A754-I756 VanDerWaalsContact O-N 3.14Å; A754-H757 PolarHBondContact N-ND1 2.9Å; A754-H757 WeakPolarHBondContact O-CB 3.37Å; A754-H757 PolarHBondContact O-N 2.79Å; A754-V780 HydrophobicContact CB-CG1 4.02Å
755	A	96.2	Very high	93	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-50.5	-39.8	-175.8	0	0	0	0	0	115	L719 I720 I723 H757 I758 A759 L771	L719-A755 HydrophobicContact CD2-CB 4.24Å; L719-A755 HydrophobicContact CG-CB 4.4Å; I720-A755 HydrophobicContact CG1-CB 3.94Å; I723-A755 HydrophobicContact CD1-CB 3.75Å; A755-H757 VanDerWaalsContact C-N 3.33Å; A755-H757 PolarHBondContact O-N 3.35Å; A755-I758 PolarHBondContact O-N 3.19Å; A755-A759 PolarHBondContact O-N 2.69Å; A755-L771 HydrophobicContact CB-CD1 4.16Å; A755-L771 HydrophobicContact CB-CD2 3.81Å
756	I	95.7	Very high	93	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-33.8	-179.6	-162.8	174.4	0	0	0	113	A754 A760 L768 L771 L772 P778 A788 L804	A754-I756 VanDerWaalsContact C-N 3.27Å; A754-I756 PolarHBondContact O-N 3.08Å; A754-I756 VanDerWaalsContact O-N 3.14Å; I756-A760 VanDerWaalsContact O-CB 3.23Å; I756-A760 WeakPolarHBondContact O-CB 3.42Å; I756-A760 PolarHBondContact O-N 3.29Å; I756-L768 HydrophobicContact CG1-CD2 3.76Å; I756-L771 HydrophobicContact CB-CD1 4.37Å; I756-L772 HydrophobicContact CD1-CD2 4.24Å; I756-P778 HydrophobicContact CD1-CB 4.42Å; I756-A788 HydrophobicContact CD1-CB 4.21Å; I756-A788 HydrophobicContact CG1-CB 3.95Å; I756-A788 HydrophobicContact CG2-CB 4.35Å; I756-L804 HydrophobicContact CD1-CD2 4.15Å
757	H	95.4	Very high	93.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-39.1	175.2	-59.8	126.8	0	0	0	111.8	R753 A754 A755 T761 V780 R786 A788 Y791	R753-H757 HydrophobicContact CB-CB 4.15Å; R753-H757 HydrophobicContact CG-CB 4.48Å; A754-H757 PolarHBondContact N-ND1 2.9Å; A754-H757 WeakPolarHBondContact O-CB 3.37Å; A754-H757 PolarHBondContact O-N 2.79Å; A755-H757 VanDerWaalsContact C-N 3.33Å; A755-H757 PolarHBondContact O-N 3.35Å; H757-T761 WeakPolarHBondContact O-CB 3.28Å; H757-T761 PolarHBondContact O-N 2.97Å; H757-T761 PolarHBondContact O-OG1 3.08Å; H757-V780 PolarHBondContact NE2-O 3.39Å; H757-R786 PolarHBondContact NE2-O 2.97Å; H757-A788 PolarHBondContact CD2-N 3.13Å; H757-Y791 HydrophobicContact CB-CD2 3.87Å; H757-Y791 HydrophobicContact CB-CE2 3.98Å; H757-Y791 HydrophobicContact CB-CG 4.39Å; H757-Y791 AromaticContact CD2-CD2 3.53Å; H757-Y791 AromaticContact CD2-CE2 3.67Å; H757-Y791 AromaticContact CG-CD2 3.94Å; H757-Y791 AromaticContact CG-CE2 3.88Å
758	I	96	Very high	93.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-72	-44.8	179.9	-52.8	-54.1	0	0	0	110.3	I720 I723 A724 R753 A755 A760 T761 L762	I720-I758 HydrophobicContact CG2-CG1 3.9Å; I723-I758 HydrophobicContact CG2-CB 4.15Å; I723-I758 HydrophobicContact CG2-CG2 3.85Å; A724-I758 HydrophobicContact CB-CG2 4.31Å; R753-I758 HydrophobicContact CB-CD1 3.75Å; R753-I758 HydrophobicContact CB-CG1 4.39Å; R753-I758 HydrophobicContact CG-CD1 4.37Å; A755-I758 PolarHBondContact O-N 3.19Å; I758-A760 VanDerWaalsContact C-N 3.31Å; I758-A760 PolarHBondContact O-N 3.16Å; I758-T761 WeakPolarHBondContact O-CB 3.38Å; I758-T761 PolarHBondContact O-N 3.41Å; I758-L762 HydrophobicContact CG2-CD1 4.17Å; I758-L762 WeakPolarHBondContact O-CG 3.38Å; I758-L762 PolarHBondContact O-N 3.42Å
759	A	96.5	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-40.7	174.3	0	0	0	0	0	112.4	I723 A755 L762 G763 N764 L768 L771	I723-A759 HydrophobicContact CG2-CB 4.22Å; A755-A759 PolarHBondContact O-N 2.69Å; A759-L762 PolarHBondContact O-N 2.7Å; A759-G763 PolarHBondContact O-N 2.94Å; A759-N764 PolarHBondContact O-N 3.09Å; A759-N764 VanDerWaalsContact O-N 3.15Å; A759-L768 HydrophobicContact CB-CD2 3.72Å; A759-L768 HydrophobicContact CB-CG 4.01Å; A759-L771 HydrophobicContact CB-CD1 3.86Å
760	A	96	Very high	94.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-42.9	173.8	0	0	0	0	0	112.9	I756 I758 L762 G763 L768 A788 A792 N797 L804	I756-A760 VanDerWaalsContact O-CB 3.23Å; I756-A760 WeakPolarHBondContact O-CB 3.42Å; I756-A760 PolarHBondContact O-N 3.29Å; I758-A760 VanDerWaalsContact C-N 3.31Å; I758-A760 PolarHBondContact O-N 3.16Å; A760-L762 VanDerWaalsContact C-N 3.28Å; A760-L762 PolarHBondContact O-N 3.26Å; A760-G763 PolarHBondContact O-N 2.95Å; A760-L768 HydrophobicContact CB-CD2 4.24Å; A760-A788 HydrophobicContact CB-CB 4.18Å; A760-A788 WeakPolarHBondContact CB-O 3.45Å; A760-A792 HydrophobicContact CB-CB 4.13Å; A760-N797 PolarHBondContact O-ND2 3.09Å; A760-L804 HydrophobicContact CB-CD1 4.11Å
761	T	95.4	Very high	94.7	Very high	39 Å²	39	17.5 Å²	17.5	24%	0.239	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-38.3	176.1	-58.2	0	0	0	0	111.5	H757 I758 Y791 S795 N797	H757-T761 WeakPolarHBondContact O-CB 3.28Å; H757-T761 PolarHBondContact O-N 2.97Å; H757-T761 PolarHBondContact O-OG1 3.08Å; I758-T761 WeakPolarHBondContact O-CB 3.38Å; I758-T761 PolarHBondContact O-N 3.41Å; T761-Y791 WeakPolarHBondContact OG1-CD1 3.49Å; T761-S795 WeakPolarHBondContact O-CB 3.34Å; T761-S795 PolarHBondContact O-OG 3.26Å; T761-N797 PolarHBondContact O-ND2 2.83Å
762	L	95.1	Very high	94.9	Very high	63 Å²	63	17 Å²	17	33%	0.33	10%	0.096	S	C	.	.	H	α-helix	trans	-78.4	-18.3	178	-69.3	171.9	0	0	0	114.2	I723 Q726 I758 A759 A760 N764	I723-L762 HydrophobicContact CG2-CD1 3.99Å; I723-L762 VanDerWaalsContact O-CD1 3.23Å; I723-L762 WeakPolarHBondContact O-CD1 3.28Å; Q726-L762 HydrophobicContact CG-CD1 4.47Å; I758-L762 HydrophobicContact CG2-CD1 4.17Å; I758-L762 WeakPolarHBondContact O-CG 3.38Å; I758-L762 PolarHBondContact O-N 3.42Å; A759-L762 PolarHBondContact O-N 2.7Å; A760-L762 VanDerWaalsContact C-N 3.28Å; A760-L762 PolarHBondContact O-N 3.26Å; L762-N764 VanDerWaalsContact C-N 3.29Å; L762-N764 HydrophobicContact CB-CB 4.46Å
763	G	94.6	Very high	95.1	Very high	26 Å²	26	17.2 Å²	17.2	27%	0.268	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	20.8	-175.3	0	0	0	0	0	113.5	A759 A760 L765 N797 C800	A759-G763 PolarHBondContact O-N 2.94Å; A760-G763 PolarHBondContact O-N 2.95Å; G763-L765 PolarHBondContact O-N 3.46Å; G763-N797 VanDerWaalsContact CA-ND2 3.27Å; G763-N797 WeakPolarHBondContact CA-ND2 3.33Å; G763-N797 PolarHBondContact N-ND2 3.14Å; G763-C800 PolarHBondContact O-SG 3.44Å
764	N	94.7	Very high	95.2	Very high	30 Å²	30	16.7 Å²	16.7	16%	0.16	9%	0.091	C	C	.	.			trans	-86.9	92.3	-177	-168.5	-44.5	0	0	0	110.7	A759 L762 V766 Y767 L768	A759-N764 PolarHBondContact O-N 3.09Å; A759-N764 VanDerWaalsContact O-N 3.15Å; L762-N764 VanDerWaalsContact C-N 3.29Å; L762-N764 HydrophobicContact CB-CB 4.46Å; N764-V766 VanDerWaalsContact C-N 3.27Å; N764-V766 PolarHBondContact O-N 2.64Å; N764-V766 WeakPolarHBondContact OD1-CB 3.46Å; N764-V766 PolarHBondContact OD1-N 3.05Å; N764-Y767 HydrophobicContact CB-CD2 3.88Å; N764-Y767 HydrophobicContact CB-CG 4.17Å; N764-Y767 VanDerWaalsContact CG-CD2 3.46Å; N764-Y767 WeakPolarHBondContact ND2-CD2 3.23Å; N764-Y767 WeakPolarHBondContact ND2-CE2 3.15Å; N764-Y767 PolarHBondContact O-N 3.44Å; N764-Y767 PolarHBondContact OD1-N 3.45Å; N764-L768 PolarHBondContact O-N 2.74Å
765	L	93.4	Very high	95.1	Very high	44 Å²	44	21.2 Å²	21.2	23%	0.23	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-33.9	180	-172	60	0	0	0	113.1	E626 G763 L768 Q769 F803	E626-L765 HydrophobicContact CB-CG 4.5Å; E626-L765 HydrophobicContact CG-CD1 4.19Å; E626-L765 HydrophobicContact CG-CD2 3.92Å; E626-L765 HydrophobicContact CG-CG 4.14Å; G763-L765 PolarHBondContact O-N 3.46Å; L765-L768 PolarHBondContact O-N 3.37Å; L765-Q769 WeakPolarHBondContact O-CB 3.2Å; L765-Q769 PolarHBondContact O-N 3.06Å; L765-F803 HydrophobicContact CD1-CB 3.73Å; L765-F803 HydrophobicContact CD1-CD1 3.56Å; L765-F803 HydrophobicContact CD1-CD2 3.83Å; L765-F803 HydrophobicContact CD1-CE1 4.08Å; L765-F803 HydrophobicContact CD1-CE2 4.31Å; L765-F803 HydrophobicContact CD1-CG 3.41Å; L765-F803 VanDerWaalsContact CD1-CG 3.41Å; L765-F803 HydrophobicContact CD1-CZ 4.43Å
766	V	95.1	Very high	94.9	Very high	20 Å²	20	21.5 Å²	21.5	12%	0.121	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-46.4	176.3	169.4	0	0	0	0	110.6	V630 A633 N764 Q769 L770	V630-V766 HydrophobicContact CB-CG1 4.5Å; V630-V766 HydrophobicContact CG2-CB 4.43Å; V630-V766 HydrophobicContact CG2-CG1 4.1Å; V630-V766 HydrophobicContact CG2-CG2 4.5Å; A633-V766 HydrophobicContact CB-CG1 4.04Å; A633-V766 HydrophobicContact CB-CG2 3.94Å; N764-V766 VanDerWaalsContact C-N 3.27Å; N764-V766 PolarHBondContact O-N 2.64Å; N764-V766 WeakPolarHBondContact OD1-CB 3.46Å; N764-V766 PolarHBondContact OD1-N 3.05Å; V766-Q769 PolarHBondContact O-N 2.85Å; V766-L770 HydrophobicContact CG1-CD1 4.02Å; V766-L770 WeakPolarHBondContact O-CB 3.46Å; V766-L770 VanDerWaalsContact O-CG 3.29Å; V766-L770 WeakPolarHBondContact O-CG 3.25Å; V766-L770 PolarHBondContact O-N 3.3Å
767	Y	96.5	Very high	94.8	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-37.9	177.4	-64.6	-11.3	0	0	0	112.3	I723 Q726 T728 V731 N764 L770 L771	I723-Y767 HydrophobicContact CB-CD2 4.42Å; I723-Y767 HydrophobicContact CG1-CD2 4.23Å; I723-Y767 HydrophobicContact CG2-CD2 4.06Å; Q726-Y767 VanDerWaalsContact CA-OH 3.31Å; Q726-Y767 WeakPolarHBondContact CA-OH 3.42Å; Q726-Y767 HydrophobicContact CB-CE2 4.44Å; Q726-Y767 HydrophobicContact CG-CE2 4.47Å; Q726-Y767 PolarHBondContact O-OH 2.87Å; T728-Y767 HydrophobicContact CG2-CE1 4.28Å; T728-Y767 PolarHBondContact N-OH 2.75Å; T728-Y767 PolarHBondContact OG1-OH 2.78Å; V731-Y767 HydrophobicContact CG1-CD1 4.39Å; V731-Y767 HydrophobicContact CG1-CE1 4.47Å; V731-Y767 HydrophobicContact CG2-CE1 4.48Å; V731-Y767 HydrophobicContact CG2-CE2 4.49Å; N764-Y767 HydrophobicContact CB-CD2 3.88Å; N764-Y767 HydrophobicContact CB-CG 4.17Å; N764-Y767 VanDerWaalsContact CG-CD2 3.46Å; N764-Y767 WeakPolarHBondContact ND2-CD2 3.23Å; N764-Y767 WeakPolarHBondContact ND2-CE2 3.15Å; N764-Y767 PolarHBondContact O-N 3.44Å; N764-Y767 PolarHBondContact OD1-N 3.45Å; Y767-L770 HydrophobicContact CD1-CD1 4.38Å; Y767-L770 PolarHBondContact O-N 3.36Å; Y767-L771 WeakPolarHBondContact O-CB 3.42Å; Y767-L771 WeakPolarHBondContact O-CD1 3.18Å; Y767-L771 WeakPolarHBondContact O-CG 3.23Å; Y767-L771 PolarHBondContact O-N 2.77Å
768	L	96.1	Very high	94.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-46.5	172	-71.3	176	0	0	0	111.5	I756 A759 A760 N764 L765 L770 L771 L772 C800 F803 L804	I756-L768 HydrophobicContact CG1-CD2 3.76Å; A759-L768 HydrophobicContact CB-CD2 3.72Å; A759-L768 HydrophobicContact CB-CG 4.01Å; A760-L768 HydrophobicContact CB-CD2 4.24Å; N764-L768 PolarHBondContact O-N 2.74Å; L765-L768 PolarHBondContact O-N 3.37Å; L768-L770 PolarHBondContact O-N 3.16Å; L768-L771 PolarHBondContact O-N 3.41Å; L768-L772 VanDerWaalsContact O-CG 3.31Å; L768-L772 WeakPolarHBondContact O-CG 3.43Å; L768-L772 PolarHBondContact O-N 3.42Å; L768-C800 HydrophobicContact CD1-CB 3.73Å; L768-F803 HydrophobicContact CB-CD1 4.27Å; L768-F803 HydrophobicContact CB-CE1 3.89Å; L768-F803 HydrophobicContact CD1-CD1 4.47Å; L768-L804 HydrophobicContact CD1-CD1 4.31Å; L768-L804 HydrophobicContact CD1-CG 4.37Å; L768-L804 HydrophobicContact CD2-CD2 4.36Å
769	Q	95.3	Very high	94.4	Very high	13 Å²	13	27.5 Å²	27.5	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-39.4	179.7	-176.7	60.4	97.5	0	0	112.3	E626 V630 L765 V766 W773 F803	E626-Q769 HydrophobicContact CB-CG 4.28Å; V630-Q769 HydrophobicContact CG2-CB 3.86Å; V630-Q769 HydrophobicContact CG2-CG 3.78Å; L765-Q769 WeakPolarHBondContact O-CB 3.2Å; L765-Q769 PolarHBondContact O-N 3.06Å; V766-Q769 PolarHBondContact O-N 2.85Å; Q769-W773 HydrophobicContact CG-CD2 4.19Å; Q769-W773 HydrophobicContact CG-CE3 4.29Å; Q769-W773 HydrophobicContact CG-CH2 3.75Å; Q769-W773 HydrophobicContact CG-CZ2 3.61Å; Q769-W773 HydrophobicContact CG-CZ3 4.1Å; Q769-W773 PolarHBondContact O-N 3.37Å; Q769-W773 VanDerWaalsContact O-N 3.16Å; Q769-F803 HydrophobicContact CB-CZ 4Å; Q769-F803 HydrophobicContact CG-CZ 4.43Å
770	L	95.4	Very high	94.2	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-50.9	172.9	-74.8	167.8	0	0	0	111.7	V630 I634 L735 V766 Y767 L768 L772 W773 Y774	V630-L770 HydrophobicContact CG1-CD2 3.79Å; V630-L770 HydrophobicContact CG1-CG 4.09Å; V630-L770 HydrophobicContact CG2-CG 4.46Å; I634-L770 HydrophobicContact CD1-CD1 4.25Å; I634-L770 HydrophobicContact CD1-CD2 4.31Å; L735-L770 HydrophobicContact CD1-CB 3.97Å; V766-L770 HydrophobicContact CG1-CD1 4.02Å; V766-L770 WeakPolarHBondContact O-CB 3.46Å; V766-L770 VanDerWaalsContact O-CG 3.29Å; V766-L770 WeakPolarHBondContact O-CG 3.25Å; V766-L770 PolarHBondContact O-N 3.3Å; Y767-L770 HydrophobicContact CD1-CD1 4.38Å; Y767-L770 PolarHBondContact O-N 3.36Å; L768-L770 PolarHBondContact O-N 3.16Å; L770-L772 VanDerWaalsContact C-N 3.35Å; L770-L772 PolarHBondContact O-N 3.19Å; L770-W773 HydrophobicContact CD2-CE3 4.4Å; L770-W773 CarbonylContact O-C 3.53Å; L770-W773 WeakPolarHBondContact O-CA 3.28Å; L770-W773 WeakPolarHBondContact O-CB 3.46Å; L770-W773 PolarHBondContact O-N 2.64Å; L770-Y774 HydrophobicContact CD2-CE2 4.48Å; L770-Y774 WeakPolarHBondContact O-CD2 3.34Å; L770-Y774 PolarHBondContact O-N 3.37Å
771	L	95.7	Very high	94	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-47.6	-179.4	-74.4	166.1	0	0	0	111.6	L719 I723 L735 V743 A755 I756 A759 Y767 L768 W773 Y774 N775 G776	L719-L771 HydrophobicContact CD2-CD2 4.37Å; I723-L771 HydrophobicContact CD1-CD1 4.1Å; I723-L771 HydrophobicContact CD1-CD2 4.33Å; L735-L771 HydrophobicContact CD2-CD2 4.14Å; V743-L771 HydrophobicContact CG1-CD2 3.73Å; A755-L771 HydrophobicContact CB-CD1 4.16Å; A755-L771 HydrophobicContact CB-CD2 3.81Å; I756-L771 HydrophobicContact CB-CD1 4.37Å; A759-L771 HydrophobicContact CB-CD1 3.86Å; Y767-L771 WeakPolarHBondContact O-CB 3.42Å; Y767-L771 WeakPolarHBondContact O-CD1 3.18Å; Y767-L771 WeakPolarHBondContact O-CG 3.23Å; Y767-L771 PolarHBondContact O-N 2.77Å; L768-L771 PolarHBondContact O-N 3.41Å; L771-W773 PolarHBondContact O-N 2.91Å; L771-Y774 CarbonylContact O-C 3.52Å; L771-Y774 VanDerWaalsContact O-C 3.31Å; L771-Y774 PolarHBondContact O-N 3.16Å; L771-Y774 VanDerWaalsContact O-N 3.09Å; L771-N775 PolarHBondContact O-N 2.75Å; L771-G776 WeakPolarHBondContact O-CA 3.32Å; L771-G776 PolarHBondContact O-N 2.97Å
772	L	94	Very high	93.6	Very high	27 Å²	27	31 Å²	31	14%	0.141	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-32.8	175.2	-66.8	172	0	0	0	112.6	I756 L768 L770 P778 F803 N807	I756-L772 HydrophobicContact CD1-CD2 4.24Å; L768-L772 VanDerWaalsContact O-CG 3.31Å; L768-L772 WeakPolarHBondContact O-CG 3.43Å; L768-L772 PolarHBondContact O-N 3.42Å; L770-L772 VanDerWaalsContact C-N 3.35Å; L770-L772 PolarHBondContact O-N 3.19Å; L772-P778 HydrophobicContact CD2-CB 4.04Å; L772-P778 HydrophobicContact CD2-CG 4.05Å; L772-F803 HydrophobicContact CD1-CE1 3.52Å; L772-F803 HydrophobicContact CD1-CZ 3.75Å; L772-N807 HydrophobicContact CD1-CB 3.73Å
773	W	93.1	Very high	93.1	Very high	31 Å²	31	34.4 Å²	34.4	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-71.8	-34.4	174.1	-72.9	-13.8	0	0	0	113.1	L591 N592 R614 V630 Q769 L770 L771 N775	L591-W773 VanDerWaalsContact C-CZ3 3.49Å; L591-W773 HydrophobicContact CB-CE3 4.44Å; L591-W773 HydrophobicContact CB-CH2 3.67Å; L591-W773 HydrophobicContact CB-CZ2 4.18Å; L591-W773 HydrophobicContact CB-CZ3 3.81Å; L591-W773 HydrophobicContact CD1-CH2 4.27Å; L591-W773 HydrophobicContact CD1-CZ2 4.12Å; L591-W773 HydrophobicContact CG-CH2 4.41Å; L591-W773 VanDerWaalsContact O-CZ3 3.3Å; L591-W773 WeakPolarHBondContact O-CZ3 3.29Å; N592-W773 HydrophobicContact CB-CB 4.36Å; N592-W773 HydrophobicContact CB-CE3 4.15Å; R614-W773 VanDerWaalsContact CZ-O 3.29Å; R614-W773 VanDerWaalsContact NH1-CA 3.34Å; R614-W773 VanDerWaalsContact NH1-CD1 3.27Å; R614-W773 PolarHBondContact NH1-O 3.09Å; R614-W773 PolarHBondContact NH2-O 2.79Å; V630-W773 HydrophobicContact CB-CH2 4.38Å; V630-W773 HydrophobicContact CB-CZ3 4.09Å; V630-W773 HydrophobicContact CG1-CZ3 3.91Å; V630-W773 HydrophobicContact CG2-CH2 4.27Å; V630-W773 HydrophobicContact CG2-CZ3 4.03Å; Q769-W773 HydrophobicContact CG-CD2 4.19Å; Q769-W773 HydrophobicContact CG-CE3 4.29Å; Q769-W773 HydrophobicContact CG-CH2 3.75Å; Q769-W773 HydrophobicContact CG-CZ2 3.61Å; Q769-W773 HydrophobicContact CG-CZ3 4.1Å; Q769-W773 PolarHBondContact O-N 3.37Å; Q769-W773 VanDerWaalsContact O-N 3.16Å; L770-W773 HydrophobicContact CD2-CE3 4.4Å; L770-W773 CarbonylContact O-C 3.53Å; L770-W773 WeakPolarHBondContact O-CA 3.28Å; L770-W773 WeakPolarHBondContact O-CB 3.46Å; L770-W773 PolarHBondContact O-N 2.64Å; L771-W773 PolarHBondContact O-N 2.91Å; W773-N775 VanDerWaalsContact C-N 3.26Å; W773-N775 PolarHBondContact O-N 3.06Å
774	Y	94.1	Very high	92.6	Very high	40 Å²	40	39 Å²	39	16%	0.157	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	37.4	173.9	-73	-92.5	0	0	0	112.9	N592 L735 L770 L771 G776	N592-Y774 HydrophobicContact CB-CE2 4.16Å; N592-Y774 PolarHBondContact ND2-OH 2.69Å; N592-Y774 VanDerWaalsContact O-CE2 3.29Å; N592-Y774 WeakPolarHBondContact O-CE2 3.47Å; N592-Y774 PolarHBondContact O-OH 2.86Å; L735-Y774 HydrophobicContact CB-CD1 4.18Å; L735-Y774 HydrophobicContact CB-CD2 4.15Å; L735-Y774 HydrophobicContact CB-CE1 4.28Å; L735-Y774 HydrophobicContact CB-CE2 4.26Å; L735-Y774 HydrophobicContact CB-CG 4.14Å; L735-Y774 HydrophobicContact CD1-CD2 4.03Å; L735-Y774 HydrophobicContact CD1-CE2 4.36Å; L735-Y774 HydrophobicContact CD2-CD2 4.44Å; L735-Y774 HydrophobicContact CD2-CG 4.21Å; L735-Y774 HydrophobicContact CG-CD2 4.44Å; L735-Y774 WeakPolarHBondContact O-CD1 3.38Å; L735-Y774 WeakPolarHBondContact O-CE1 3.41Å; L770-Y774 HydrophobicContact CD2-CE2 4.48Å; L770-Y774 WeakPolarHBondContact O-CD2 3.34Å; L770-Y774 PolarHBondContact O-N 3.37Å; L771-Y774 CarbonylContact O-C 3.52Å; L771-Y774 VanDerWaalsContact O-C 3.31Å; L771-Y774 PolarHBondContact O-N 3.16Å; L771-Y774 VanDerWaalsContact O-N 3.09Å; Y774-G776 VanDerWaalsContact C-N 3.25Å; Y774-G776 PolarHBondContact O-N 3.48Å
775	N	92.7	Very high	92.2	Very high	96 Å²	96	39.2 Å²	39.2	51%	0.513	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	23.5	174.3	-69	87.9	0	0	0	115.7	P740 N744 L771 W773 D777	P740-N775 HydrophobicContact CB-CB 3.98Å; P740-N775 HydrophobicContact CG-CB 3.92Å; N744-N775 PolarHBondContact ND2-O 3.39Å; L771-N775 PolarHBondContact O-N 2.75Å; W773-N775 VanDerWaalsContact C-N 3.26Å; W773-N775 PolarHBondContact O-N 3.06Å; N775-D777 PolarHBondContact O-N 2.89Å
776	G	92.1	Very high	92.1	Very high	7 Å²	7	39.4 Å²	39.4	7%	0.072	21%	0.214	C	C	.	.			trans	-61.8	128.6	161.7	0	0	0	0	0	110.7	N744 L771 Y774	N744-G776 WeakPolarHBondContact OD1-CA 3.36Å; L771-G776 WeakPolarHBondContact O-CA 3.32Å; L771-G776 PolarHBondContact O-N 2.97Å; Y774-G776 VanDerWaalsContact C-N 3.25Å; Y774-G776 PolarHBondContact O-N 3.48Å
777	D	92.9	Very high	92	Very high	71 Å²	71	38.8 Å²	38.8	38%	0.38	21%	0.21	S	C	.	.			trans	-93.5	118.8	-177.6	168.5	25.1	0	0	0	110.5	N744 N775 A779 V780	N744-D777 PolarHBondContact OD1-N 2.86Å; N775-D777 PolarHBondContact O-N 2.89Å; D777-A779 PolarHBondContact O-N 3.11Å; D777-A779 WeakPolarHBondContact OD1-CB 3.47Å; D777-A779 PolarHBondContact OD1-N 3.16Å; D777-V780 HydrophobicContact CB-CG2 3.8Å; D777-V780 WeakPolarHBondContact O-CB 3.3Å; D777-V780 WeakPolarHBondContact O-CG2 3.38Å; D777-V780 PolarHBondContact O-N 2.68Å
778	P	92.2	Very high	91.9	Very high	18 Å²	18	38.6 Å²	38.6	12%	0.117	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.7	178.5	29	-33.4	0	0	0	114.1	I756 L772 N807 C809	I756-P778 HydrophobicContact CD1-CB 4.42Å; L772-P778 HydrophobicContact CD2-CB 4.04Å; L772-P778 HydrophobicContact CD2-CG 4.05Å; P778-N807 VanDerWaalsContact CG-O 3.28Å; P778-N807 WeakPolarHBondContact CG-O 3.38Å; P778-C809 HydrophobicContact CB-CB 3.93Å; P778-C809 PolarHBondContact O-SG 3.31Å
779	A	91.4	Very high	91.8	Very high	45 Å²	45	39 Å²	39	37%	0.372	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.7	173.8	0	0	0	0	0	114	D777 T781 P810	D777-A779 PolarHBondContact O-N 3.11Å; D777-A779 WeakPolarHBondContact OD1-CB 3.47Å; D777-A779 PolarHBondContact OD1-N 3.16Å; A779-T781 PolarHBondContact O-N 3.36Å; A779-P810 HydrophobicContact CB-CG 4.26Å
780	V	91.2	Very high	91.7	Very high	26 Å²	26	41 Å²	41	16%	0.158	22%	0.218	C	C	.	.			trans	-55.9	136.4	174.9	172.4	0	0	0	0	110.5	N744 A754 H757 D777 N787	N744-V780 HydrophobicContact CB-CG2 4.15Å; A754-V780 HydrophobicContact CB-CG1 4.02Å; H757-V780 PolarHBondContact NE2-O 3.39Å; D777-V780 HydrophobicContact CB-CG2 3.8Å; D777-V780 WeakPolarHBondContact O-CB 3.3Å; D777-V780 WeakPolarHBondContact O-CG2 3.38Å; D777-V780 PolarHBondContact O-N 2.68Å; V780-N787 WeakPolarHBondContact O-CA 3.1Å; V780-N787 WeakPolarHBondContact O-CB 3.36Å
781	T	92	Very high	91.6	Very high	75 Å²	75	42.1 Å²	42.1	46%	0.46	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-124.5	154.2	177	42.4	0	0	0	0	110.4	A779 R786 N787	A779-T781 PolarHBondContact O-N 3.36Å; T781-R786 CarbonylContact C-O 3.56Å; T781-R786 VanDerWaalsContact CA-O 3.3Å; T781-R786 WeakPolarHBondContact CA-O 3.05Å; T781-N787 HydrophobicContact CG2-CB 3.87Å
782	D	88.8	Confident	91.5	Very high	11 Å²	11	42 Å²	42	6%	0.059	22%	0.222	C	C	.	.			trans	-82.3	-174.8	168.4	80.4	-10.3	0	0	0	112.5	P752 E784 G785 R786 Y791	P752-D782 HydrophobicContact CB-CB 4.15Å; P752-D782 HydrophobicContact CG-CB 4.15Å; D782-E784 PolarHBondContact O-N 2.98Å; D782-E784 WeakPolarHBondContact OD1-CA 3.48Å; D782-E784 PolarHBondContact OD1-N 3.35Å; D782-G785 PolarHBondContact O-N 3.33Å; D782-G785 PolarHBondContact OD1-N 2.98Å; D782-R786 PolarHBondContact N-O 3.11Å; D782-R786 WeakPolarHBondContact OD1-CB 3.47Å; D782-R786 PolarHBondContact OD1-N 3.49Å; D782-R786 IonicContact OD1-NE 2.64Å; D782-R786 IonicContact OD2-CZ 3.26Å; D782-R786 IonicContact OD2-NE 2.71Å; D782-R786 PolarHBondContact OD2-NE 2.99Å; D782-R786 IonicContact OD2-NH2 3.84Å; D782-R786 PolarHBondContact OD2-NH2 3.2Å; D782-Y791 PolarHBondContact OD2-OH 2.79Å
783	H	83.1	Confident	91.4	Very high	135 Å²	135	43.7 Å²	43.7	63%	0.625	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.2	179	72.3	165.8	0	0	0	115.9	P752	P752-H783 HydrophobicContact CB-CB 4.14Å; P752-H783 HydrophobicContact CG-CB 4.07Å; P752-H783 WeakPolarHBondContact CG-CD2 3.27Å
784	E	84.2	Confident	91.4	Very high	122 Å²	122	43.3 Å²	43.3	57%	0.57	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	3.9	175.2	-77.3	179	-119.9	0	0	111	D782 R786	D782-E784 PolarHBondContact O-N 2.98Å; D782-E784 WeakPolarHBondContact OD1-CA 3.48Å; D782-E784 PolarHBondContact OD1-N 3.35Å; E784-R786 VanDerWaalsContact C-N 3.3Å; E784-R786 HydrophobicContact CB-CG 3.93Å; E784-R786 VanDerWaalsContact CD-NH2 3.34Å; E784-R786 IonicContact OE1-CZ 2.83Å; E784-R786 IonicContact OE1-NH1 2.79Å; E784-R786 PolarHBondContact OE1-NH1 2.86Å; E784-R786 IonicContact OE1-NH2 3.33Å; E784-R786 PolarHBondContact OE1-NH2 2.88Å; E784-R786 IonicContact OE2-CZ 3.57Å; E784-R786 VanDerWaalsContact OE2-CZ 3.26Å; E784-R786 IonicContact OE2-NE 2.68Å; E784-R786 IonicContact OE2-NH1 3.18Å; E784-R786 PolarHBondContact OE2-NH1 3.41Å; E784-R786 IonicContact OE2-NH2 3.59Å
785	G	87.8	Confident	91.2	Very high	34 Å²	34	43.3 Å²	43.3	35%	0.351	24%	0.237	S	C	.	.	S	Bend	trans	73.1	20.7	-175	0	0	0	0	0	113.2	D782 Q812	D782-G785 PolarHBondContact O-N 3.33Å; D782-G785 PolarHBondContact OD1-N 2.98Å; G785-Q812 PolarHBondContact O-NE2 2.89Å; G785-Q812 PolarHBondContact O-OE1 3.2Å
786	R	91.2	Very high	91.3	Very high	49 Å²	49	45.5 Å²	45.5	19%	0.185	24%	0.242	C	C	.	.			trans	-89.5	129	179.2	-55.5	178.9	-63.6	-145.6	-5.6	110.1	H757 T781 D782 E784 Y790 Y791	H757-R786 PolarHBondContact NE2-O 2.97Å; T781-R786 CarbonylContact C-O 3.56Å; T781-R786 VanDerWaalsContact CA-O 3.3Å; T781-R786 WeakPolarHBondContact CA-O 3.05Å; D782-R786 PolarHBondContact N-O 3.11Å; D782-R786 WeakPolarHBondContact OD1-CB 3.47Å; D782-R786 PolarHBondContact OD1-N 3.49Å; D782-R786 IonicContact OD1-NE 2.64Å; D782-R786 IonicContact OD2-CZ 3.26Å; D782-R786 IonicContact OD2-NE 2.71Å; D782-R786 PolarHBondContact OD2-NE 2.99Å; D782-R786 IonicContact OD2-NH2 3.84Å; D782-R786 PolarHBondContact OD2-NH2 3.2Å; E784-R786 VanDerWaalsContact C-N 3.3Å; E784-R786 HydrophobicContact CB-CG 3.93Å; E784-R786 VanDerWaalsContact CD-NH2 3.34Å; E784-R786 IonicContact OE1-CZ 2.83Å; E784-R786 IonicContact OE1-NH1 2.79Å; E784-R786 PolarHBondContact OE1-NH1 2.86Å; E784-R786 IonicContact OE1-NH2 3.33Å; E784-R786 PolarHBondContact OE1-NH2 2.88Å; E784-R786 IonicContact OE2-CZ 3.57Å; E784-R786 VanDerWaalsContact OE2-CZ 3.26Å; E784-R786 IonicContact OE2-NE 2.68Å; E784-R786 IonicContact OE2-NH1 3.18Å; E784-R786 PolarHBondContact OE2-NH1 3.41Å; E784-R786 IonicContact OE2-NH2 3.59Å; R786-Y790 HydrophobicContact CB-CD1 3.98Å; R786-Y790 HydrophobicContact CB-CG 4.18Å; R786-Y790 HydrophobicContact CG-CD1 4.11Å; R786-Y790 HydrophobicContact CG-CE1 4.22Å; R786-Y790 HydrophobicContact CG-CG 4.36Å; R786-Y791 HydrophobicContact CB-CE2 4.04Å; R786-Y791 PolarHBondContact NE-OH 2.81Å; R786-Y791 PolarHBondContact NH2-OH 2.84Å
787	N	92.8	Very high	91.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.032	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-103.9	178	178.8	71.5	14.4	0	0	0	113.2	V780 T781 F789 Y790 Y791 P810 Q812	V780-N787 WeakPolarHBondContact O-CA 3.1Å; V780-N787 WeakPolarHBondContact O-CB 3.36Å; T781-N787 HydrophobicContact CG2-CB 3.87Å; N787-F789 VanDerWaalsContact C-N 3.27Å; N787-F789 PolarHBondContact O-N 3.18Å; N787-F789 WeakPolarHBondContact OD1-CB 3.38Å; N787-F789 PolarHBondContact OD1-N 3.33Å; N787-F789 VanDerWaalsContact OD1-N 3.12Å; N787-Y790 WeakPolarHBondContact O-CB 3.46Å; N787-Y790 PolarHBondContact O-N 3.42Å; N787-Y790 VanDerWaalsContact O-N 3.11Å; N787-Y790 PolarHBondContact OD1-N 2.97Å; N787-Y790 VanDerWaalsContact OD1-N 3.13Å; N787-Y791 WeakPolarHBondContact O-CD2 3.13Å; N787-Y791 PolarHBondContact O-N 2.56Å; N787-P810 PolarHBondContact ND2-O 3.22Å; N787-Q812 PolarHBondContact OD1-OE1 2.88Å
788	A	93.8	Very high	91.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.2	-35.9	-179.7	0	0	0	0	0	113.9	I756 H757 A760 Y791 A792 L804	I756-A788 HydrophobicContact CD1-CB 4.21Å; I756-A788 HydrophobicContact CG1-CB 3.95Å; I756-A788 HydrophobicContact CG2-CB 4.35Å; H757-A788 PolarHBondContact CD2-N 3.13Å; A760-A788 HydrophobicContact CB-CB 4.18Å; A760-A788 WeakPolarHBondContact CB-O 3.45Å; A788-Y791 PolarHBondContact O-N 3.08Å; A788-A792 PolarHBondContact O-N 3.43Å; A788-L804 HydrophobicContact CB-CD1 3.7Å; A788-L804 HydrophobicContact CB-CD2 3.93Å; A788-L804 HydrophobicContact CB-CG 4.47Å
789	F	94.1	Very high	91.3	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-42.9	176.7	174.7	-90.2	0	0	0	111.7	N787 Y791 A792 H793 A801 L805 K811 Q812 V814	N787-F789 VanDerWaalsContact C-N 3.27Å; N787-F789 PolarHBondContact O-N 3.18Å; N787-F789 WeakPolarHBondContact OD1-CB 3.38Å; N787-F789 PolarHBondContact OD1-N 3.33Å; N787-F789 VanDerWaalsContact OD1-N 3.12Å; F789-Y791 VanDerWaalsContact C-N 3.33Å; F789-Y791 PolarHBondContact O-N 3.3Å; F789-A792 PolarHBondContact O-N 3.02Å; F789-H793 HydrophobicContact CE1-CB 4.43Å; F789-H793 AromaticContact CZ-CD2 3.99Å; F789-H793 VanDerWaalsContact O-CB 3.31Å; F789-H793 WeakPolarHBondContact O-CB 3.19Å; F789-H793 PolarHBondContact O-N 3.11Å; F789-A801 HydrophobicContact CD2-CB 3.86Å; F789-A801 WeakPolarHBondContact CD2-O 3.29Å; F789-A801 HydrophobicContact CE2-CB 3.74Å; F789-L805 HydrophobicContact CD2-CD1 4.18Å; F789-L805 HydrophobicContact CD2-CD2 3.62Å; F789-L805 HydrophobicContact CD2-CG 3.67Å; F789-L805 HydrophobicContact CE2-CD1 3.63Å; F789-L805 HydrophobicContact CE2-CD2 3.86Å; F789-L805 HydrophobicContact CE2-CG 3.66Å; F789-L805 HydrophobicContact CG-CD2 4.19Å; F789-L805 HydrophobicContact CZ-CD1 4.36Å; F789-K811 HydrophobicContact CD1-CG 4.48Å; F789-K811 HydrophobicContact CE1-CG 3.95Å; F789-K811 HydrophobicContact CZ-CG 4.01Å; F789-Q812 HydrophobicContact CD1-CB 4.44Å; F789-Q812 WeakPolarHBondContact CE1-O 3.5Å; F789-V814 HydrophobicContact CE1-CG2 4.42Å
790	Y	92.9	Very high	91.4	Very high	53 Å²	53	53.4 Å²	53.4	21%	0.208	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-47.6	175.2	178.6	-82.5	0	0	0	111.2	R786 N787 H793 C794 Q812 V814	R786-Y790 HydrophobicContact CB-CD1 3.98Å; R786-Y790 HydrophobicContact CB-CG 4.18Å; R786-Y790 HydrophobicContact CG-CD1 4.11Å; R786-Y790 HydrophobicContact CG-CE1 4.22Å; R786-Y790 HydrophobicContact CG-CG 4.36Å; N787-Y790 WeakPolarHBondContact O-CB 3.46Å; N787-Y790 PolarHBondContact O-N 3.42Å; N787-Y790 VanDerWaalsContact O-N 3.11Å; N787-Y790 PolarHBondContact OD1-N 2.97Å; N787-Y790 VanDerWaalsContact OD1-N 3.13Å; Y790-H793 PolarHBondContact O-N 3.28Å; Y790-C794 WeakPolarHBondContact CE1-SG 3.48Å; Y790-C794 VanDerWaalsContact CZ-SG 3.57Å; Y790-C794 WeakPolarHBondContact O-CB 3.41Å; Y790-C794 PolarHBondContact O-N 3.16Å; Y790-C794 PolarHBondContact O-SG 2.82Å; Y790-Q812 HydrophobicContact CD2-CG 4.42Å; Y790-V814 HydrophobicContact CD2-CG1 4.44Å; Y790-V814 HydrophobicContact CD2-CG2 3.92Å; Y790-V814 HydrophobicContact CE2-CG1 4.22Å; Y790-V814 HydrophobicContact CE2-CG2 4.48Å
791	Y	93.4	Very high	91.5	Very high	27 Å²	27	52.3 Å²	52.3	11%	0.106	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-46.6	179.6	-77.7	-78.6	0	0	0	113	H757 T761 D782 R786 N787 A788 F789 H793 C794 S795	H757-Y791 HydrophobicContact CB-CD2 3.87Å; H757-Y791 HydrophobicContact CB-CE2 3.98Å; H757-Y791 HydrophobicContact CB-CG 4.39Å; H757-Y791 AromaticContact CD2-CD2 3.53Å; H757-Y791 AromaticContact CD2-CE2 3.67Å; H757-Y791 AromaticContact CG-CD2 3.94Å; H757-Y791 AromaticContact CG-CE2 3.88Å; T761-Y791 WeakPolarHBondContact OG1-CD1 3.49Å; D782-Y791 PolarHBondContact OD2-OH 2.79Å; R786-Y791 HydrophobicContact CB-CE2 4.04Å; R786-Y791 PolarHBondContact NE-OH 2.81Å; R786-Y791 PolarHBondContact NH2-OH 2.84Å; N787-Y791 WeakPolarHBondContact O-CD2 3.13Å; N787-Y791 PolarHBondContact O-N 2.56Å; A788-Y791 PolarHBondContact O-N 3.08Å; F789-Y791 VanDerWaalsContact C-N 3.33Å; F789-Y791 PolarHBondContact O-N 3.3Å; Y791-H793 VanDerWaalsContact C-N 3.34Å; Y791-H793 PolarHBondContact O-N 3.36Å; Y791-C794 PolarHBondContact O-N 3.47Å; Y791-S795 PolarHBondContact O-N 3.46Å
792	A	93.8	Very high	91.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-45.4	176.6	0	0	0	0	0	111.7	A760 A788 F789 S795 K796 N797 C800 A801 L804	A760-A792 HydrophobicContact CB-CB 4.13Å; A788-A792 PolarHBondContact O-N 3.43Å; F789-A792 PolarHBondContact O-N 3.02Å; A792-S795 PolarHBondContact O-N 3.01Å; A792-K796 PolarHBondContact O-N 3.09Å; A792-N797 HydrophobicContact CB-CB 4.45Å; A792-N797 PolarHBondContact O-N 3.26Å; A792-C800 HydrophobicContact CB-CB 4.27Å; A792-A801 HydrophobicContact CB-CB 3.84Å; A792-L804 HydrophobicContact CB-CD1 4.19Å
793	H	92.6	Very high	91.7	Very high	63 Å²	63	52 Å²	52	29%	0.292	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-38.2	179.1	-169.5	-68.3	0	0	0	112.5	F789 Y790 Y791 K796 V814	F789-H793 HydrophobicContact CE1-CB 4.43Å; F789-H793 AromaticContact CZ-CD2 3.99Å; F789-H793 VanDerWaalsContact O-CB 3.31Å; F789-H793 WeakPolarHBondContact O-CB 3.19Å; F789-H793 PolarHBondContact O-N 3.11Å; Y790-H793 PolarHBondContact O-N 3.28Å; Y791-H793 VanDerWaalsContact C-N 3.34Å; Y791-H793 PolarHBondContact O-N 3.36Å; H793-K796 PolarHBondContact O-N 2.69Å; H793-K796 VanDerWaalsContact O-N 3.1Å; H793-V814 HydrophobicContact CB-CG2 4.06Å
794	C	91.6	Very high	92.2	Very high	23 Å²	23	45.6 Å²	45.6	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-36.8	176.1	-70.2	0	0	0	0	112.8	Y790 Y791 K796	Y790-C794 WeakPolarHBondContact CE1-SG 3.48Å; Y790-C794 VanDerWaalsContact CZ-SG 3.57Å; Y790-C794 WeakPolarHBondContact O-CB 3.41Å; Y790-C794 PolarHBondContact O-N 3.16Å; Y790-C794 PolarHBondContact O-SG 2.82Å; Y791-C794 PolarHBondContact O-N 3.47Å; C794-K796 PolarHBondContact O-N 3.01Å
795	S	91.8	Very high	92.6	Very high	40 Å²	40	42.3 Å²	42.3	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-5	171.1	-72.9	0	0	0	0	114.1	T761 Y791 A792 N797	T761-S795 WeakPolarHBondContact O-CB 3.34Å; T761-S795 PolarHBondContact O-OG 3.26Å; Y791-S795 PolarHBondContact O-N 3.46Å; A792-S795 PolarHBondContact O-N 3.01Å; S795-N797 VanDerWaalsContact C-N 3.25Å; S795-N797 WeakPolarHBondContact CB-ND2 3.25Å; S795-N797 PolarHBondContact O-N 3.13Å
796	K	92.9	Very high	92.7	Very high	142 Å²	142	47.4 Å²	47.4	62%	0.617	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	22	-172.8	-49.8	174.7	-176.4	174	0	114.3	A792 H793 C794 Y798	A792-K796 PolarHBondContact O-N 3.09Å; H793-K796 PolarHBondContact O-N 2.69Å; H793-K796 VanDerWaalsContact O-N 3.1Å; C794-K796 PolarHBondContact O-N 3.01Å; K796-Y798 HydrophobicContact CB-CE2 3.92Å; K796-Y798 VanDerWaalsContact O-CD2 3.23Å; K796-Y798 WeakPolarHBondContact O-CD2 3.47Å; K796-Y798 WeakPolarHBondContact O-CE2 3.18Å; K796-Y798 PolarHBondContact O-N 2.89Å
797	N	93.8	Very high	92.7	Very high	41 Å²	41	47.7 Å²	47.7	22%	0.219	23%	0.226	C	C	.	.			trans	-82.9	64.3	177.2	-60	-30	0	0	0	110.2	A760 T761 G763 A792 S795 D799 C800 A801	A760-N797 PolarHBondContact O-ND2 3.09Å; T761-N797 PolarHBondContact O-ND2 2.83Å; G763-N797 VanDerWaalsContact CA-ND2 3.27Å; G763-N797 WeakPolarHBondContact CA-ND2 3.33Å; G763-N797 PolarHBondContact N-ND2 3.14Å; A792-N797 HydrophobicContact CB-CB 4.45Å; A792-N797 PolarHBondContact O-N 3.26Å; S795-N797 VanDerWaalsContact C-N 3.25Å; S795-N797 WeakPolarHBondContact CB-ND2 3.25Å; S795-N797 PolarHBondContact O-N 3.13Å; N797-D799 VanDerWaalsContact C-N 3.32Å; N797-D799 PolarHBondContact O-N 3.22Å; N797-C800 HydrophobicContact CB-CB 4.2Å; N797-C800 WeakPolarHBondContact O-CB 3.3Å; N797-C800 PolarHBondContact O-N 3.36Å; N797-C800 VanDerWaalsContact O-N 3.13Å; N797-A801 PolarHBondContact O-N 3.37Å
798	Y	92.4	Very high	92.5	Very high	131 Å²	131	52.3 Å²	52.3	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-61.2	-35.1	-167.9	-57.4	-64.6	0	0	0	113.8	K796 C800 A801 D802	K796-Y798 HydrophobicContact CB-CE2 3.92Å; K796-Y798 VanDerWaalsContact O-CD2 3.23Å; K796-Y798 WeakPolarHBondContact O-CD2 3.47Å; K796-Y798 WeakPolarHBondContact O-CE2 3.18Å; K796-Y798 PolarHBondContact O-N 2.89Å; Y798-C800 VanDerWaalsContact C-N 3.33Å; Y798-C800 PolarHBondContact O-N 3.27Å; Y798-A801 WeakPolarHBondContact O-CB 3.5Å; Y798-A801 PolarHBondContact O-N 3.27Å; Y798-A801 VanDerWaalsContact O-N 3.14Å; Y798-D802 PolarHBondContact O-N 3.46Å
799	D	91.9	Very high	92.2	Very high	129 Å²	129	52.6 Å²	52.6	69%	0.69	26%	0.261	S	S	*	.	H	α-helix	trans	-65.1	-38	177.8	-49.4	-57.9	0	0	0	111.9	N797 F803	N797-D799 VanDerWaalsContact C-N 3.32Å; N797-D799 PolarHBondContact O-N 3.22Å; D799-F803 VanDerWaalsContact O-CB 3.26Å; D799-F803 WeakPolarHBondContact O-CB 3.47Å; D799-F803 PolarHBondContact O-N 2.91Å
800	C	93	Very high	91.9	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.034	28%	0.28	C	S	.	.	H	α-helix	trans	-70.1	-35.2	172.8	-72.6	0	0	0	0	112	G763 L768 A792 N797 Y798 L804	G763-C800 PolarHBondContact O-SG 3.44Å; L768-C800 HydrophobicContact CD1-CB 3.73Å; A792-C800 HydrophobicContact CB-CB 4.27Å; N797-C800 HydrophobicContact CB-CB 4.2Å; N797-C800 WeakPolarHBondContact O-CB 3.3Å; N797-C800 PolarHBondContact O-N 3.36Å; N797-C800 VanDerWaalsContact O-N 3.13Å; Y798-C800 VanDerWaalsContact C-N 3.33Å; Y798-C800 PolarHBondContact O-N 3.27Å; C800-L804 WeakPolarHBondContact O-CB 3.39Å; C800-L804 WeakPolarHBondContact O-CD1 3.42Å; C800-L804 VanDerWaalsContact O-CG 3.23Å; C800-L804 WeakPolarHBondContact O-CG 3.3Å; C800-L804 PolarHBondContact O-N 3.35Å
801	A	92.9	Very high	91.7	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-44.5	175.8	0	0	0	0	0	111.3	F789 A792 N797 Y798 L804 L805	F789-A801 HydrophobicContact CD2-CB 3.86Å; F789-A801 WeakPolarHBondContact CD2-O 3.29Å; F789-A801 HydrophobicContact CE2-CB 3.74Å; A792-A801 HydrophobicContact CB-CB 3.84Å; N797-A801 PolarHBondContact O-N 3.37Å; Y798-A801 WeakPolarHBondContact O-CB 3.5Å; Y798-A801 PolarHBondContact O-N 3.27Å; Y798-A801 VanDerWaalsContact O-N 3.14Å; A801-L804 PolarHBondContact O-N 3.29Å; A801-L805 WeakPolarHBondContact O-CG 3.32Å; A801-L805 PolarHBondContact O-N 3.47Å; A801-L805 VanDerWaalsContact O-N 3.08Å
802	D	92.4	Very high	91.2	Very high	77 Å²	77	61.7 Å²	61.7	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-44.8	174.3	176.2	74.1	0	0	0	112.3	Y798 L804 L805 R806	Y798-D802 PolarHBondContact O-N 3.46Å; D802-L804 VanDerWaalsContact C-N 3.29Å; D802-L804 PolarHBondContact O-N 3.27Å; D802-L805 WeakPolarHBondContact O-CB 3.27Å; D802-L805 PolarHBondContact O-N 2.75Å; D802-L805 VanDerWaalsContact O-N 3.13Å; D802-R806 PolarHBondContact O-N 3.09Å; D802-R806 IonicContact OD2-CZ 2.69Å; D802-R806 IonicContact OD2-NE 2.81Å; D802-R806 PolarHBondContact OD2-NE 2.87Å; D802-R806 IonicContact OD2-NH2 3.16Å; D802-R806 PolarHBondContact OD2-NH2 3.05Å
803	F	93.5	Very high	90.5	Very high	3 Å²	3	69.6 Å²	69.6	1%	0.013	35%	0.351	C	S	.	.	H	α-helix	trans	-56.4	-42.2	173.2	172.5	-100.7	0	0	0	112.4	E626 L765 L768 Q769 L772 D799 R806 N807	E626-F803 HydrophobicContact CB-CE2 4.04Å; E626-F803 HydrophobicContact CG-CD2 3.68Å; E626-F803 HydrophobicContact CG-CE2 3.64Å; L765-F803 HydrophobicContact CD1-CB 3.73Å; L765-F803 HydrophobicContact CD1-CD1 3.56Å; L765-F803 HydrophobicContact CD1-CD2 3.83Å; L765-F803 HydrophobicContact CD1-CE1 4.08Å; L765-F803 HydrophobicContact CD1-CE2 4.31Å; L765-F803 HydrophobicContact CD1-CG 3.41Å; L765-F803 VanDerWaalsContact CD1-CG 3.41Å; L765-F803 HydrophobicContact CD1-CZ 4.43Å; L768-F803 HydrophobicContact CB-CD1 4.27Å; L768-F803 HydrophobicContact CB-CE1 3.89Å; L768-F803 HydrophobicContact CD1-CD1 4.47Å; Q769-F803 HydrophobicContact CB-CZ 4Å; Q769-F803 HydrophobicContact CG-CZ 4.43Å; L772-F803 HydrophobicContact CD1-CE1 3.52Å; L772-F803 HydrophobicContact CD1-CZ 3.75Å; D799-F803 VanDerWaalsContact O-CB 3.26Å; D799-F803 WeakPolarHBondContact O-CB 3.47Å; D799-F803 PolarHBondContact O-N 2.91Å; F803-R806 PolarHBondContact O-N 2.97Å; F803-N807 WeakPolarHBondContact CD2-ND2 3.28Å; F803-N807 WeakPolarHBondContact CE2-ND2 3.47Å; F803-N807 WeakPolarHBondContact CZ-ND2 3.45Å; F803-N807 PolarHBondContact O-N 2.95Å; F803-N807 PolarHBondContact O-ND2 2.92Å
804	L	93.5	Very high	89.7	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-43.4	175.3	-78.4	164.9	0	0	0	111.7	I756 A760 L768 A788 A792 C800 A801 D802 R806 N807 S808 C809	I756-L804 HydrophobicContact CD1-CD2 4.15Å; A760-L804 HydrophobicContact CB-CD1 4.11Å; L768-L804 HydrophobicContact CD1-CD1 4.31Å; L768-L804 HydrophobicContact CD1-CG 4.37Å; L768-L804 HydrophobicContact CD2-CD2 4.36Å; A788-L804 HydrophobicContact CB-CD1 3.7Å; A788-L804 HydrophobicContact CB-CD2 3.93Å; A788-L804 HydrophobicContact CB-CG 4.47Å; A792-L804 HydrophobicContact CB-CD1 4.19Å; C800-L804 WeakPolarHBondContact O-CB 3.39Å; C800-L804 WeakPolarHBondContact O-CD1 3.42Å; C800-L804 VanDerWaalsContact O-CG 3.23Å; C800-L804 WeakPolarHBondContact O-CG 3.3Å; C800-L804 PolarHBondContact O-N 3.35Å; A801-L804 PolarHBondContact O-N 3.29Å; D802-L804 VanDerWaalsContact C-N 3.29Å; D802-L804 PolarHBondContact O-N 3.27Å; L804-R806 PolarHBondContact O-N 2.95Å; L804-N807 CarbonylContact O-C 3.51Å; L804-N807 PolarHBondContact O-N 2.9Å; L804-N807 VanDerWaalsContact O-N 3.14Å; L804-S808 PolarHBondContact O-N 3.26Å; L804-C809 VanDerWaalsContact C-CB 3.45Å; L804-C809 HydrophobicContact CB-CB 3.79Å; L804-C809 HydrophobicContact CD2-CB 4.48Å; L804-C809 WeakPolarHBondContact O-CB 3.33Å; L804-C809 PolarHBondContact O-N 2.77Å
805	L	92	Very high	88.7	Confident	53 Å²	53	70.9 Å²	70.9	28%	0.277	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-43.6	174.1	-65.8	-177.4	0	0	0	112	F789 A801 D802 N807 S808 C809 K811	F789-L805 HydrophobicContact CD2-CD1 4.18Å; F789-L805 HydrophobicContact CD2-CD2 3.62Å; F789-L805 HydrophobicContact CD2-CG 3.67Å; F789-L805 HydrophobicContact CE2-CD1 3.63Å; F789-L805 HydrophobicContact CE2-CD2 3.86Å; F789-L805 HydrophobicContact CE2-CG 3.66Å; F789-L805 HydrophobicContact CG-CD2 4.19Å; F789-L805 HydrophobicContact CZ-CD1 4.36Å; A801-L805 WeakPolarHBondContact O-CG 3.32Å; A801-L805 PolarHBondContact O-N 3.47Å; A801-L805 VanDerWaalsContact O-N 3.08Å; D802-L805 WeakPolarHBondContact O-CB 3.27Å; D802-L805 PolarHBondContact O-N 2.75Å; D802-L805 VanDerWaalsContact O-N 3.13Å; L805-N807 PolarHBondContact O-N 2.89Å; L805-S808 PolarHBondContact O-N 2.88Å; L805-C809 WeakPolarHBondContact CD2-O 3.4Å; L805-K811 HydrophobicContact CD1-CD 4.1Å; L805-K811 HydrophobicContact CD1-CG 4.46Å; L805-K811 HydrophobicContact CD2-CB 3.65Å; L805-K811 HydrophobicContact CD2-CD 4.44Å; L805-K811 HydrophobicContact CD2-CG 4.02Å
806	R	91.2	Very high	87	Confident	141 Å²	141	75 Å²	75	53%	0.532	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-26.8	175.4	-76.7	-172.2	-83.4	125.8	-4.1	113	E626 D802 F803 L804 S808	E626-R806 IonicContact OE1-CZ 2.77Å; E626-R806 IonicContact OE1-NH1 2.76Å; E626-R806 PolarHBondContact OE1-NH1 2.72Å; E626-R806 IonicContact OE1-NH2 2.99Å; D802-R806 PolarHBondContact O-N 3.09Å; D802-R806 IonicContact OD2-CZ 2.69Å; D802-R806 IonicContact OD2-NE 2.81Å; D802-R806 PolarHBondContact OD2-NE 2.87Å; D802-R806 IonicContact OD2-NH2 3.16Å; D802-R806 PolarHBondContact OD2-NH2 3.05Å; F803-R806 PolarHBondContact O-N 2.97Å; L804-R806 PolarHBondContact O-N 2.95Å; R806-S808 VanDerWaalsContact C-N 3.34Å
807	N	89.7	Confident	85.2	Confident	54 Å²	54	72 Å²	72	29%	0.289	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	23.8	173.9	-72.4	-90.6	0	0	0	113.5	L772 P778 F803 L804 L805 C809	L772-N807 HydrophobicContact CD1-CB 3.73Å; P778-N807 VanDerWaalsContact CG-O 3.28Å; P778-N807 WeakPolarHBondContact CG-O 3.38Å; F803-N807 WeakPolarHBondContact CD2-ND2 3.28Å; F803-N807 WeakPolarHBondContact CE2-ND2 3.47Å; F803-N807 WeakPolarHBondContact CZ-ND2 3.45Å; F803-N807 PolarHBondContact O-N 2.95Å; F803-N807 PolarHBondContact O-ND2 2.92Å; L804-N807 CarbonylContact O-C 3.51Å; L804-N807 PolarHBondContact O-N 2.9Å; L804-N807 VanDerWaalsContact O-N 3.14Å; L805-N807 PolarHBondContact O-N 2.89Å; N807-C809 PolarHBondContact O-N 3.13Å
808	S	88.9	Confident	82.8	Confident	103 Å²	103	73.7 Å²	73.7	72%	0.72	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	19.9	177	-48.3	0	0	0	0	116.5	L804 L805 R806 P810	L804-S808 PolarHBondContact O-N 3.26Å; L805-S808 PolarHBondContact O-N 2.88Å; R806-S808 VanDerWaalsContact C-N 3.34Å; S808-P810 WeakPolarHBondContact O-CD 3.35Å
809	C	87.3	Confident	80.7	Confident	6 Å²	6	73.9 Å²	73.9	4%	0.041	41%	0.41	C	S	.	.			trans	-62.4	128.6	167.1	-170.8	0	0	0	0	110.2	P778 L804 L805 N807 K811	P778-C809 HydrophobicContact CB-CB 3.93Å; P778-C809 PolarHBondContact O-SG 3.31Å; L804-C809 VanDerWaalsContact C-CB 3.45Å; L804-C809 HydrophobicContact CB-CB 3.79Å; L804-C809 HydrophobicContact CD2-CB 4.48Å; L804-C809 WeakPolarHBondContact O-CB 3.33Å; L804-C809 PolarHBondContact O-N 2.77Å; L805-C809 WeakPolarHBondContact CD2-O 3.4Å; N807-C809 PolarHBondContact O-N 3.13Å; C809-K811 PolarHBondContact O-N 2.93Å
810	P	88.5	Confident	78.6	Confident	68 Å²	68	75.4 Å²	75.4	44%	0.442	42%	0.419	S	S	.	.			trans	-61.1	128.9	176.9	-24.3	34.5	0	0	0	111.9	A779 N787 S808 Q812	A779-P810 HydrophobicContact CB-CG 4.26Å; N787-P810 PolarHBondContact ND2-O 3.22Å; S808-P810 WeakPolarHBondContact O-CD 3.35Å; P810-Q812 PolarHBondContact O-N 3.4Å
811	K	87.7	Confident	76.2	Confident	160 Å²	160	81.2 Å²	81.2	70%	0.696	45%	0.448	S	S	*	.			trans	-71.8	102.1	179.2	-169.8	170.5	-176.5	171.4	0	111.2	F789 L805 C809	F789-K811 HydrophobicContact CD1-CG 4.48Å; F789-K811 HydrophobicContact CE1-CG 3.95Å; F789-K811 HydrophobicContact CZ-CG 4.01Å; L805-K811 HydrophobicContact CD1-CD 4.1Å; L805-K811 HydrophobicContact CD1-CG 4.46Å; L805-K811 HydrophobicContact CD2-CB 3.65Å; L805-K811 HydrophobicContact CD2-CD 4.44Å; L805-K811 HydrophobicContact CD2-CG 4.02Å; C809-K811 PolarHBondContact O-N 2.93Å
812	Q	84.5	Confident	73.5	Confident	52 Å²	52	88 Å²	88	24%	0.243	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-80.2	143.3	176.8	-169.1	159.7	12.1	0	0	111.7	G785 N787 F789 Y790 P810 V814	G785-Q812 PolarHBondContact O-NE2 2.89Å; G785-Q812 PolarHBondContact O-OE1 3.2Å; N787-Q812 PolarHBondContact OD1-OE1 2.88Å; F789-Q812 HydrophobicContact CD1-CB 4.44Å; F789-Q812 WeakPolarHBondContact CE1-O 3.5Å; Y790-Q812 HydrophobicContact CD2-CG 4.42Å; P810-Q812 PolarHBondContact O-N 3.4Å; Q812-V814 PolarHBondContact O-N 3.46Å
813	L	79	Confident	71	Confident	166 Å²	166	88 Å²	88	87%	0.869	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-75	120.8	171.5	-70.3	171.9	0	0	0	109.5
814	V	75.9	Confident	68.2	Low	32 Å²	32	93.9 Å²	93.9	19%	0.194	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-100.3	126.2	178.2	-175.2	0	0	0	0	108.8	F789 Y790 H793 Q812	F789-V814 HydrophobicContact CE1-CG2 4.42Å; Y790-V814 HydrophobicContact CD2-CG1 4.44Å; Y790-V814 HydrophobicContact CD2-CG2 3.92Å; Y790-V814 HydrophobicContact CE2-CG1 4.22Å; Y790-V814 HydrophobicContact CE2-CG2 4.48Å; H793-V814 HydrophobicContact CB-CG2 4.06Å; Q812-V814 PolarHBondContact O-N 3.46Å
815	P	69.1	Low	65.6	Low	81 Å²	81	98 Å²	98	53%	0.526	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-59.3	148	174.6	-24.2	34.5	0	0	0	112.1	I817	P815-I817 PolarHBondContact O-N 3.29Å
816	P	56.5	Low	62.8	Low	128 Å²	128	99.8 Å²	99.8	83%	0.831	56%	0.557	S	S	*	*			trans	-63.2	113.2	176.6	26.1	-33.6	0	0	0	110.3	P818	P816-P818 WeakPolarHBondContact O-CD 3.42Å
817	I	54.9	Low	59.9	Low	77 Å²	77	103.5 Å²	103.5	40%	0.395	57%	0.572	S	S	.	*			trans	-67.8	120.9	-175.3	-53.9	173.3	0	0	0	109.1	P815	P815-I817 PolarHBondContact O-N 3.29Å
818	P	43.7	Very low	57	Low	77 Å²	77	105.6 Å²	105.6	50%	0.5	59%	0.59	S	S	.	*			trans	-63.8	134	175.3	26.6	-33.4	0	0	0	109.3	P816 N820 I821	P816-P818 WeakPolarHBondContact O-CD 3.42Å; P818-N820 PolarHBondContact O-N 3.06Å; P818-I821 HydrophobicContact CG-CD1 4.29Å
819	P	48.1	Very low	54.2	Low	136 Å²	136	105.3 Å²	105.3	88%	0.883	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	17.4	-159.4	28.4	-37.3	0	0	0	116.2
820	N	47.8	Very low	51.5	Low	161 Å²	161	113 Å²	113	86%	0.861	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.6	19.5	-174.4	-122.6	-13.8	0	0	0	115.3	P818	P818-N820 PolarHBondContact O-N 3.06Å
821	I	43.3	Very low	48.5	Very low	127 Å²	127	117.3 Å²	117.3	65%	0.651	64%	0.643	S	S	*	*			trans	-123.9	113	172.7	-56.7	178.5	0	0	0	108.4	P818	P818-I821 HydrophobicContact CG-CD1 4.29Å
822	M	35.5	Very low	45.8	Very low	147 Å²	147	116 Å²	116	72%	0.724	65%	0.648	S	S	*	*			trans	-69.4	139.3	167.2	-65.6	-176.4	72.8	0	0	109	T825	M822-T825 WeakPolarHBondContact CE-OG1 3.36Å
823	P	39.5	Very low	43.1	Very low	76 Å²	76	121.3 Å²	121.3	49%	0.494	68%	0.675	S	S	.	*			trans	-59.4	164	159.4	30	-34.6	0	0	0	109	T825	P823-T825 PolarHBondContact O-N 2.88Å
824	P	36.5	Very low	40.7	Very low	127 Å²	127	119.4 Å²	119.4	83%	0.825	67%	0.672	S	S	*	*			trans	-66.8	83.5	173.6	28.8	-34.7	0	0	0	110.2	I826	P824-I826 PolarHBondContact O-N 3.47Å
825	T	37.3	Very low	38.4	Very low	86 Å²	86	127 Å²	127	53%	0.528	71%	0.706	S	S	.	*			trans	-48.5	136.1	159.8	-54.4	0	0	0	0	107.2	M822 P823 R827	M822-T825 WeakPolarHBondContact CE-OG1 3.36Å; P823-T825 PolarHBondContact O-N 2.88Å; T825-R827 PolarHBondContact O-N 3.46Å
826	I	34.6	Very low	36.5	Very low	90 Å²	90	132 Å²	132	46%	0.462	72%	0.722	S	S	.	*			trans	-61.9	94.1	170.5	-60	172.7	0	0	0	106.3	P824 S828	P824-I826 PolarHBondContact O-N 3.47Å; I826-S828 PolarHBondContact O-N 2.97Å; I826-S828 VanDerWaalsContact O-N 3.16Å
827	R	30	Very low	35.1	Very low	220 Å²	220	133.2 Å²	133.2	83%	0.83	72%	0.72	S	S	*	*			trans	-55.6	123.2	162.7	-84.6	-170.6	173	-169.4	-1.2	104.9	T825 S829	T825-R827 PolarHBondContact O-N 3.46Å; R827-S829 VanDerWaalsContact C-N 3.35Å; R827-S829 PolarHBondContact O-N 3.05Å; R827-S829 PolarHBondContact O-OG 2.77Å
828	S	28.7	Very low	34	Very low	97 Å²	97	136.6 Å²	136.6	68%	0.678	74%	0.744	S	S	*	*			trans	-54	97.8	178.2	28.3	0	0	0	0	109.1	I826 Q830	I826-S828 PolarHBondContact O-N 2.97Å; I826-S828 VanDerWaalsContact O-N 3.16Å; S828-Q830 PolarHBondContact O-N 3.08Å
829	S	29.6	Very low	33.3	Very low	98 Å²	98	141 Å²	141	69%	0.685	76%	0.758	S	S	*	*			trans	-75.9	43.8	-176.1	-62.6	0	0	0	0	112.7	R827 N831	R827-S829 VanDerWaalsContact C-N 3.35Å; R827-S829 PolarHBondContact O-N 3.05Å; R827-S829 PolarHBondContact O-OG 2.77Å; S829-N831 PolarHBondContact O-N 2.72Å
830	Q	30.2	Very low	32.3	Very low	166 Å²	166	138.8 Å²	138.8	78%	0.776	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	121.8	143.9	-65.8	177	-12.9	0	0	106.2	S828	S828-Q830 PolarHBondContact O-N 3.08Å
831	N	26.9	Very low	31.7	Very low	159 Å²	159	139.2 Å²	139.2	85%	0.85	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.3	47.6	178.8	-43.9	-40.8	0	0	0	118.1	S829	S829-N831 PolarHBondContact O-N 2.72Å
832	V	29.4	Very low	31	Very low	132 Å²	132	137.2 Å²	137.2	80%	0.8	74%	0.739	S	S	*	*			trans	-137.8	85.4	137.1	-168.9	0	0	0	0	110.8
833	M	27.7	Very low	30.7	Very low	165 Å²	165	137.5 Å²	137.5	81%	0.813	74%	0.742	S	S	*	*	S	Bend	trans	-118.9	141.1	157.6	-176.2	175.1	174.5	0	0	106.8	Q835	M833-Q835 PolarHBondContact O-N 3.31Å
834	P	30.1	Very low	30.4	Very low	125 Å²	125	140.8 Å²	140.8	81%	0.812	75%	0.754	S	S	*	*			trans	-66.8	96.7	-172.1	-22.4	34.8	0	0	0	113.1	Q836	P834-Q836 PolarHBondContact O-N 2.91Å
835	Q	27	Very low	30.2	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	75%	0.754	S	S	*	*			trans	-83	92.2	173.5	-78.3	-167.6	-16.1	0	0	111.6	M833	M833-Q835 PolarHBondContact O-N 3.31Å
836	Q	29.3	Very low	29.9	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	77%	0.77	S	S	*	*			trans	-131.7	122.4	149.7	-70.5	-174.9	-35.7	0	0	105	P834	P834-Q836 PolarHBondContact O-N 2.91Å
837	I	27	Very low	29.8	Very low	154 Å²	154	144.1 Å²	144.1	79%	0.79	79%	0.785	S	S	*	*	S	Bend	cis	-143.9	127.7	14.2	-59	163.8	0	0	0	109.6
838	V	31.1	Very low	29.8	Very low	148 Å²	148	138.8 Å²	138.8	90%	0.897	78%	0.781	S	S	*	*			trans	-153.8	148.2	139.8	172.3	0	0	0	0	107
839	Q	30.2	Very low	30	Very low	170 Å²	170	142.6 Å²	142.6	79%	0.794	79%	0.792	S	S	*	*			trans	-94.1	145.2	-170.8	-66.2	167.2	-47	0	0	114
840	S	26.6	Very low	29.9	Very low	89 Å²	89	142.4 Å²	142.4	62%	0.622	79%	0.79	S	S	*	*			trans	14.1	125.8	151.9	54.7	0	0	0	0	121.1
841	H	34.9	Very low	29.8	Very low	170 Å²	170	141 Å²	141	79%	0.787	79%	0.794	S	S	*	*				162.6	101	115.1	-84.5	-63	0	0	0	109.3
842	S	29.2	Very low	29.9	Very low	84 Å²	84	137.2 Å²	137.2	59%	0.587	79%	0.792	S	S	*	*				88.8	138.2	60.3	69.6	0	0	0	0	114.5
843	I	29.9	Very low	29.8	Very low	153 Å²	153	139.3 Å²	139.3	79%	0.785	80%	0.798	S	S	*	*			trans	78.3	133.3	158.2	-70.6	161	0	0	0	115.4
844	I	32.8	Very low	29.9	Very low	146 Å²	146	137.4 Å²	137.4	75%	0.749	80%	0.8	S	S	*	*			cis	-148.7	178	3.2	-129.3	172.8	0	0	0	113.9
845	H	31.1	Very low	29.8	Very low	180 Å²	180	137.4 Å²	137.4	83%	0.833	80%	0.804	S	S	*	*			trans	-57.8	161.4	-176.7	-67	-131.8	0	0	0	117.9
846	G	32.4	Very low	30	Very low	83 Å²	83	131.9 Å²	131.9	86%	0.856	80%	0.798	S	S	*	*			trans	-172.3	97.2	162.3	0	0	0	0	0	114.1
847	S	32.4	Very low	29.9	Very low	110 Å²	110	130.2 Å²	130.2	77%	0.769	80%	0.801	S	S	*	*			trans	-89.4	141.3	-165.9	52.8	0	0	0	0	117.2
848	S	29.5	Very low	30	Very low	108 Å²	108	126.8 Å²	126.8	76%	0.755	80%	0.795	S	S	*	*			trans	49.9	128.9	135.6	-50	0	0	0	0	122.3
849	I	31.9	Very low	29.8	Very low	177 Å²	177	127.7 Å²	127.7	91%	0.908	80%	0.795	S	S	*	*				-173	167.3	120.9	-96.5	157.5	0	0	0	109.9
850	S	28.2	Very low	29.7	Very low	93 Å²	93	126.2 Å²	126.2	65%	0.65	79%	0.791	S	S	*	*			trans	-116.9	168.3	-154.7	63.7	0	0	0	0	116.7
851	T	27.9	Very low	29.7	Very low	138 Å²	138	128.2 Å²	128.2	85%	0.847	80%	0.795	S	S	*	*			trans	62.4	117	148.8	45.3	0	0	0	0	120.1
852	G	29.9	Very low	29.5	Very low	79 Å²	79	126.4 Å²	126.4	81%	0.814	79%	0.789	S	S	*	*			trans	-165.3	124.9	159.3	0	0	0	0	0	111
853	L	26.7	Very low	29.3	Very low	176 Å²	176	128.8 Å²	128.8	92%	0.921	80%	0.796	S	S	*	*			trans	-91	141.2	178	-65.7	124.3	0	0	0	111
854	S	29.8	Very low	29.4	Very low	124 Å²	124	128.8 Å²	128.8	87%	0.867	80%	0.797	S	S	*	*			trans	-177.6	158.7	132.6	34.2	0	0	0	0	112.6
855	S	28.4	Very low	29.1	Very low	126 Å²	126	127 Å²	127	88%	0.881	80%	0.798	S	S	*	*			trans	-71	139.5	177.4	50.5	0	0	0	0	113.5
856	G	30.1	Very low	29.1	Very low	76 Å²	76	126.2 Å²	126.2	78%	0.784	80%	0.798	S	S	*	*			trans	-160.4	120.3	165.7	0	0	0	0	0	111.4
857	V	27.1	Very low	28.8	Very low	151 Å²	151	128.7 Å²	128.7	92%	0.915	79%	0.792	S	S	*	*			trans	-89.6	120.2	173	177.8	0	0	0	0	108.4
858	A	30.6	Very low	28.6	Very low	82 Å²	82	129.3 Å²	129.3	68%	0.678	80%	0.796	S	S	*	*			trans	-156.7	126.3	170.3	0	0	0	0	0	110.8	I860	A858-I860 PolarHBondContact O-N 3.28Å
859	D	25.7	Very low	28.5	Very low	166 Å²	166	128 Å²	128	89%	0.888	80%	0.8	S	S	*	*			trans	-69.8	123.5	171.5	-58.5	-83	0	0	0	110.9
860	I	29.4	Very low	28.2	Very low	140 Å²	140	128 Å²	128	72%	0.718	80%	0.801	S	S	*	*			trans	-129	100.5	165.5	-56.1	-174.9	0	0	0	109.5	A858 I862	A858-I860 PolarHBondContact O-N 3.28Å; I860-I862 HydrophobicContact CG2-CD1 4.22Å; I860-I862 HydrophobicContact CG2-CG1 3.86Å; I860-I862 PolarHBondContact O-N 3.29Å
861	N	25.9	Very low	28.2	Very low	131 Å²	131	130 Å²	130	70%	0.701	81%	0.809	S	S	*	*			trans	-65.4	123.2	166.1	174	1.8	0	0	0	109.8	N863	N861-N863 PolarHBondContact OD1-N 3.1Å
862	I	31.2	Very low	28.2	Very low	131 Å²	131	131.5 Å²	131.5	67%	0.672	81%	0.806	S	S	*	*			trans	-126	80.2	169.4	-50.3	-176.3	0	0	0	109.8	I860 N864	I860-I862 HydrophobicContact CG2-CD1 4.22Å; I860-I862 HydrophobicContact CG2-CG1 3.86Å; I860-I862 PolarHBondContact O-N 3.29Å; I862-N864 HydrophobicContact CG2-CB 4.49Å
863	N	25.2	Very low	28.3	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	80%	0.8	S	S	*	*			trans	-62.3	132.5	148.4	-78.7	-33.4	0	0	0	108.8	N861	N861-N863 PolarHBondContact OD1-N 3.1Å
864	N	30.6	Very low	28.4	Very low	152 Å²	152	132.3 Å²	132.3	81%	0.813	79%	0.793	S	S	*	*			trans	-151.1	107.5	160.3	-120.9	-19.7	0	0	0	111.2	I862	I862-N864 HydrophobicContact CG2-CB 4.49Å
865	S	26.7	Very low	28.3	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	79%	0.787	S	S	*	*			trans	-85.8	135.5	-179.2	-49.7	0	0	0	0	111.1
866	I	31.1	Very low	28.2	Very low	162 Å²	162	138.1 Å²	138.1	83%	0.831	79%	0.789	S	S	*	*			trans	-131.7	98.2	160	-57.1	-175.2	0	0	0	110.6
867	N	26.8	Very low	28	Very low	136 Å²	136	138.4 Å²	138.4	73%	0.727	78%	0.779	S	S	*	*			trans	17.3	119.9	146.6	-63.5	-27.2	0	0	0	120.9
868	S	27	Very low	28.3	Very low	123 Å²	123	139.7 Å²	139.7	86%	0.86	78%	0.775	S	S	*	*				45	115	109.5	-45.6	0	0	0	0	119.7
869	G	27.9	Very low	28.1	Very low	81 Å²	81	142.2 Å²	142.2	84%	0.835	78%	0.776	S	S	*	*			trans	-160.2	89.9	168.2	0	0	0	0	0	113.2
870	L	25	Very low	28.4	Very low	177 Å²	177	143.1 Å²	143.1	93%	0.927	78%	0.775	S	S	*	*			trans	-77.5	135	171.8	-142.8	83.6	0	0	0	110
871	V	29.5	Very low	28.3	Very low	134 Å²	134	143.3 Å²	143.3	81%	0.812	77%	0.773	S	S	*	*			trans	-175.7	131.1	150.5	136.7	0	0	0	0	110.3
872	Q	28.2	Very low	28.8	Very low	170 Å²	170	146.5 Å²	146.5	79%	0.794	78%	0.783	S	S	*	*			trans	-99.3	157.2	154.4	-71.6	-170.6	-5	0	0	108.3
873	P	32.4	Very low	28.6	Very low	106 Å²	106	148.4 Å²	148.4	69%	0.688	79%	0.789	S	S	*	*				-148.8	144.1	109.2	35.1	-18.4	0	0	0	117.1
874	H	27.9	Very low	29	Very low	165 Å²	165	147.5 Å²	147.5	76%	0.764	79%	0.794	S	S	*	*			trans	20.3	116.4	140.3	-55.8	-79.5	0	0	0	121.6
875	H	26.7	Very low	28.8	Very low	163 Å²	163	145.8 Å²	145.8	76%	0.755	79%	0.793	S	S	*	*				41.5	111	111.6	-132.3	-73	0	0	0	118.9
876	F	28.2	Very low	29.2	Very low	209 Å²	209	145 Å²	145	92%	0.917	79%	0.793	S	S	*	*			trans	-147.9	148.5	140.5	-126.9	-83.2	0	0	0	110.7
877	S	25.7	Very low	29	Very low	82 Å²	82	142.5 Å²	142.5	57%	0.573	79%	0.791	S	S	*	*			trans	-121.8	138.7	-175.4	-51.9	0	0	0	0	110.6
878	H	32.2	Very low	29.2	Very low	178 Å²	178	142.5 Å²	142.5	82%	0.824	80%	0.795	S	S	*	*			trans	-150.4	150.2	155.3	-145.8	-86.5	0	0	0	113.1
879	L	26.4	Very low	29.5	Very low	135 Å²	135	142.7 Å²	142.7	71%	0.707	79%	0.791	S	S	*	*			trans	-80.7	153.7	175	-58.5	71.2	0	0	0	110.1
880	Q	32.4	Very low	29.7	Very low	185 Å²	185	143.3 Å²	143.3	86%	0.864	78%	0.782	S	S	*	*				-155.2	158.8	104.7	-156.4	131.6	16.6	0	0	111.7
881	Q	28	Very low	30.2	Very low	144 Å²	144	139.6 Å²	139.6	67%	0.673	77%	0.771	S	S	*	*			trans	-91.3	161.4	-178.7	-56.8	149.1	-40.1	0	0	111
882	H	35	Very low	30.4	Very low	199 Å²	199	141.8 Å²	141.8	92%	0.921	77%	0.773	S	S	*	*			trans	-154.6	149.7	130.1	-107.5	-74.4	0	0	0	110.5
883	Q	27.1	Very low	30.7	Very low	170 Å²	170	140.3 Å²	140.3	79%	0.794	78%	0.775	S	S	*	*			trans	-117.5	143.8	-173.6	-61.1	174.4	-4.2	0	0	111.5
884	S	33.4	Very low	30.8	Very low	117 Å²	117	138.5 Å²	138.5	82%	0.818	78%	0.776	S	S	*	*			trans	-178.9	160.7	143	43.6	0	0	0	0	111.5
885	S	27.9	Very low	31	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	78%	0.775	S	S	*	*				168	92.4	-62.7	55.6	0	0	0	0	110.7
886	A	33.4	Very low	31.4	Very low	93 Å²	93	136.9 Å²	136.9	77%	0.769	78%	0.777	S	S	*	*			trans	-173.2	130.1	160.3	0	0	0	0	0	107.9
887	S	27.7	Very low	31.6	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	77%	0.774	S	S	*	*			cis	107.6	150.5	20	75.9	0	0	0	0	113.4
888	V	32.2	Very low	31.8	Very low	136 Å²	136	137 Å²	137	82%	0.824	79%	0.79	S	S	*	*			trans	84.4	126.5	-178.8	-176.3	0	0	0	0	114.9
889	V	32.4	Very low	31.8	Very low	126 Å²	126	132.3 Å²	132.3	76%	0.764	79%	0.789	S	S	*	*			cis	-154.9	163.4	-10.5	116.1	0	0	0	0	111.7
890	S	33	Very low	32.1	Very low	94 Å²	94	135.2 Å²	135.2	66%	0.657	80%	0.8	S	S	*	*			trans	-15.8	166.8	168.7	-40.1	0	0	0	0	121.9
891	S	34.5	Very low	31.9	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	80%	0.797	S	S	*	*			cis	-150.1	140.6	22.2	-44	0	0	0	0	112.5
892	E	33.7	Very low	32	Very low	181 Å²	181	131.6 Å²	131.6	85%	0.846	80%	0.795	S	S	*	*				61.6	141.3	100.3	-52.4	-174.3	159.1	0	0	116.2
893	V	35	Very low	31.7	Very low	139 Å²	139	126.4 Å²	126.4	84%	0.842	78%	0.782	S	S	*	*			cis	-145.1	151.1	26.3	177.8	0	0	0	0	110.1
894	G	33.3	Very low	31.8	Very low	68 Å²	68	128.9 Å²	128.9	70%	0.701	79%	0.785	S	S	*	*			trans	163.2	40.4	167.6	0	0	0	0	0	122.8
895	T	33.9	Very low	31.7	Very low	124 Å²	124	131 Å²	131	76%	0.761	78%	0.782	S	S	*	*			trans	-7.3	143.3	152.7	56.2	0	0	0	0	119.2
896	H	33	Very low	31.9	Very low	169 Å²	169	131.1 Å²	131.1	78%	0.782	78%	0.78	S	S	*	*			cis	-170	-174.8	6.4	-145.1	-110.5	0	0	0	111.9
897	L	33.5	Very low	31.7	Very low	164 Å²	164	135.6 Å²	135.6	86%	0.859	79%	0.787	S	S	*	*			trans	84.5	124.3	166.3	-63.1	169.1	0	0	0	118.5
898	S	29.4	Very low	31.8	Very low	130 Å²	130	136 Å²	136	91%	0.909	79%	0.785	S	S	*	*			trans	-105.2	146.3	-176.9	-44.6	0	0	0	0	112.1
899	G	33	Very low	31.7	Very low	79 Å²	79	136.8 Å²	136.8	81%	0.814	79%	0.79	S	S	*	*			trans	-134.3	154.6	171.3	0	0	0	0	0	111
900	Q	33.3	Very low	31.6	Very low	197 Å²	197	134.6 Å²	134.6	92%	0.921	79%	0.793	S	S	*	*			trans	-86.7	157.1	-166.2	-72.1	166.8	-32.7	0	0	115.1
901	L	27.1	Very low	31.4	Very low	154 Å²	154	135.9 Å²	135.9	81%	0.806	80%	0.802	S	S	*	*			trans	-33.6	164	154.6	-77.5	164	0	0	0	115.4
902	P	30	Very low	31.3	Very low	99 Å²	99	137.7 Å²	137.7	64%	0.643	81%	0.809	S	S	*	*			cis	-140.7	166.2	29	41.3	-22.8	0	0	0	119.3
903	S	28.3	Very low	31.3	Very low	90 Å²	90	134.7 Å²	134.7	63%	0.629	80%	0.803	S	S	*	*			trans	-67	148	157.7	52.2	0	0	0	0	112.8
904	Y	30.5	Very low	31.2	Very low	221 Å²	221	132.6 Å²	132.6	87%	0.867	80%	0.795	S	S	*	*			trans	-107.6	114.5	164.2	-91.4	-90	0	0	0	111.5
905	H	30.7	Very low	31.1	Very low	162 Å²	162	135.7 Å²	135.7	75%	0.75	80%	0.795	S	S	*	*			trans	-84.2	156.1	161.6	-98.6	-97.7	0	0	0	110.1
906	P	31.2	Very low	31.2	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	79%	0.794	S	S	*	*			trans	-67.6	145.9	169.3	30.5	-35	0	0	0	110.9
907	M	30.7	Very low	31.2	Very low	187 Å²	187	136.5 Å²	136.5	92%	0.921	79%	0.791	S	S	*	*			trans	-113.7	121.1	177.6	-86.1	-85.8	164.3	0	0	110.3
908	T	29.7	Very low	31.1	Very low	121 Å²	121	135.8 Å²	135.8	74%	0.742	79%	0.787	S	S	*	*			trans	-116.6	154.8	169.4	39.3	0	0	0	0	110.4
909	T	29	Very low	31.1	Very low	151 Å²	151	133.3 Å²	133.3	93%	0.926	77%	0.77	S	S	*	*			trans	66.1	133	173.1	70	0	0	0	0	119.3
910	G	31.5	Very low	30.9	Very low	80 Å²	80	138.4 Å²	138.4	83%	0.825	77%	0.772	S	S	*	*			trans	-163.9	122.9	165.4	0	0	0	0	0	107
911	S	28.1	Very low	30.9	Very low	121 Å²	121	135 Å²	135	85%	0.846	76%	0.764	S	S	*	*			trans	-112.6	146.5	-159.5	51.6	0	0	0	0	114.2
912	V	33.4	Very low	31.1	Very low	138 Å²	138	133.9 Å²	133.9	84%	0.836	76%	0.764	S	S	*	*			trans	-138.4	93.9	170.6	-176.2	0	0	0	0	111.2
913	T	33.8	Very low	31.2	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	76%	0.764	S	S	*	*			trans	40	116.8	144.9	61.8	0	0	0	0	123.3
914	S	31.5	Very low	31.5	Very low	96 Å²	96	133 Å²	133	67%	0.671	77%	0.77	S	S	*	*				61.9	109.6	128.9	66.1	0	0	0	0	122.8
915	N	32.5	Very low	31.5	Very low	132 Å²	132	129.5 Å²	129.5	71%	0.706	77%	0.766	S	S	*	*				-173.9	137.2	97.7	-91.2	-32.3	0	0	0	110.3
916	Q	35	Very low	31.7	Very low	157 Å²	157	130.5 Å²	130.5	73%	0.734	77%	0.771	S	S	*	*				47.6	129.9	101.1	-54.7	-168.2	33.4	0	0	114.4
917	Q	32.1	Very low	32	Very low	154 Å²	154	129.7 Å²	129.7	72%	0.72	77%	0.765	S	S	*	*			cis	-166.6	167.2	10	-130.5	177.1	-7	0	0	112
918	L	31.4	Very low	31.9	Very low	149 Å²	149	128.5 Å²	128.5	78%	0.78	76%	0.762	S	S	*	*			trans	65.2	163.1	170.3	-79.6	79.5	0	0	0	118.8
919	S	30	Very low	32.1	Very low	78 Å²	78	129.3 Å²	129.3	55%	0.545	77%	0.766	S	S	.	*				-178.2	133.6	-64	50.7	0	0	0	0	113.3
920	Q	30.2	Very low	32.1	Very low	186 Å²	186	127.4 Å²	127.4	87%	0.869	76%	0.76	S	S	*	*			trans	67.3	164.9	162.7	-54.3	167.8	10.5	0	0	114.7
921	V	32.7	Very low	32.3	Very low	125 Å²	125	128.8 Å²	128.8	76%	0.758	76%	0.763	S	S	*	*			cis	-140.2	154.7	19.6	-179.5	0	0	0	0	112.5
922	V	31.9	Very low	32.4	Very low	130 Å²	130	129.1 Å²	129.1	79%	0.788	77%	0.765	S	S	*	*			trans	-31.6	154.4	160	-172.1	0	0	0	0	115.7
923	G	31.7	Very low	32.3	Very low	63 Å²	63	126.4 Å²	126.4	65%	0.649	77%	0.765	S	S	*	*			cis	148.5	-166.4	-1.9	0	0	0	0	0	113.7
924	S	34.1	Very low	32.2	Very low	107 Å²	107	128.5 Å²	128.5	75%	0.748	77%	0.772	S	S	*	*			trans	67.5	104.7	165.1	43.4	0	0	0	0	123.1
925	N	30.4	Very low	32.2	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	78%	0.778	S	S	*	*				35.6	128.7	123.9	-51.9	-8.8	0	0	0	122.9
926	H	33.8	Very low	32	Very low	182 Å²	182	134.7 Å²	134.7	84%	0.843	78%	0.781	S	S	*	*				-172.2	147.2	104.8	-115.9	-88.3	0	0	0	114.5
927	P	37.8	Very low	31.8	Very low	100 Å²	100	133.8 Å²	133.8	65%	0.649	79%	0.787	S	S	*	*			trans	-116.2	-165.1	174.6	42.1	-33	0	0	0	114.3
928	L	30.3	Very low	31.5	Very low	162 Å²	162	129.9 Å²	129.9	85%	0.848	79%	0.787	S	S	*	*			trans	86	154.1	-176.7	-48.5	168	0	0	0	113.4
929	V	33.8	Very low	31.4	Very low	138 Å²	138	130.2 Å²	130.2	84%	0.836	79%	0.79	S	S	*	*			cis	-135.9	157.5	13.2	178.6	0	0	0	0	111
930	S	29.1	Very low	31.2	Very low	112 Å²	112	132 Å²	132	78%	0.783	80%	0.798	S	S	*	*			trans	-89	150.4	176.1	54.8	0	0	0	0	115.5
931	A	34.6	Very low	31.1	Very low	109 Å²	109	129.3 Å²	129.3	90%	0.901	79%	0.789	S	S	*	*			trans	-150.3	145.4	156.7	0	0	0	0	0	111.5
932	S	29.8	Very low	30.8	Very low	128 Å²	128	131.5 Å²	131.5	90%	0.895	79%	0.791	S	S	*	*			trans	-126.9	148.6	-176.2	50.1	0	0	0	0	111.8
933	G	32.7	Very low	30.6	Very low	80 Å²	80	129.1 Å²	129.1	83%	0.825	79%	0.785	S	S	*	*			trans	-149.2	134	178.5	0	0	0	0	0	111.7
934	N	31.4	Very low	30.4	Very low	161 Å²	161	134.8 Å²	134.8	86%	0.861	80%	0.799	S	S	*	*			trans	-106.8	179.3	-172	-109	-14.3	0	0	0	112
935	M	30.6	Very low	30	Very low	165 Å²	165	133.3 Å²	133.3	81%	0.813	80%	0.801	S	S	*	*			trans	87.2	153.5	162	-51.3	-158	77.6	0	0	117.9
936	Y	28.6	Very low	30	Very low	193 Å²	193	130.8 Å²	130.8	76%	0.757	80%	0.801	S	S	*	*			cis	-176.8	144.5	-42.4	-130.2	-72.5	0	0	0	106.7
937	T	30	Very low	29.9	Very low	139 Å²	139	128 Å²	128	85%	0.853	80%	0.797	S	S	*	*			trans	63	159.5	170.2	73.2	0	0	0	0	118
938	G	27.3	Very low	29.6	Very low	71 Å²	71	130.9 Å²	130.9	73%	0.732	81%	0.806	S	S	*	*			trans	133.3	67.7	153.3	0	0	0	0	0	120
939	N	28.1	Very low	30.1	Very low	156 Å²	156	128.2 Å²	128.2	83%	0.834	80%	0.798	S	S	*	*			trans	48.6	114.3	135.8	-86.9	0.4	0	0	0	123.4
940	V	27	Very low	30	Very low	117 Å²	117	132.4 Å²	132.4	71%	0.709	80%	0.799	S	S	*	*			trans	47.6	138.3	136.6	-120.7	0	0	0	0	123.1
941	N	26.9	Very low	30.3	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	80%	0.804	S	S	*	*			trans	83	117.3	145.8	-79.6	-32.7	0	0	0	121.6
942	Q	27.3	Very low	30.3	Very low	171 Å²	171	143.5 Å²	143.5	80%	0.799	80%	0.8	S	S	*	*			trans	81.4	126.1	132.5	-68.2	-175.3	34.1	0	0	122
943	A	27.5	Very low	30.7	Very low	80 Å²	80	142 Å²	142	66%	0.661	80%	0.796	S	S	*	*			trans	84.8	122.8	132.5	0	0	0	0	0	120.5
944	L	27.2	Very low	31	Very low	181 Å²	181	143 Å²	143	95%	0.948	79%	0.788	S	S	*	*			trans	62.3	131.5	145.7	-55.4	164.4	0	0	0	117.7
945	G	27	Very low	31	Very low	77 Å²	77	142.4 Å²	142.4	79%	0.794	78%	0.783	S	S	*	*			cis	141	123.1	-1.8	0	0	0	0	0	111.5
946	A	29.3	Very low	31.3	Very low	96 Å²	96	138 Å²	138	79%	0.793	78%	0.78	S	S	*	*			trans	-147.1	115.5	178.6	0	0	0	0	0	113.3
947	T	31.8	Very low	31.7	Very low	123 Å²	123	134.1 Å²	134.1	76%	0.755	78%	0.779	S	S	*	*			trans	17.5	128.8	146.7	50.5	0	0	0	0	121.1
948	L	31.8	Very low	32	Very low	160 Å²	160	136 Å²	136	84%	0.838	78%	0.775	S	S	*	*				71.6	160.3	51.5	-67.9	175.9	0	0	0	115.3
949	P	40.4	Very low	32.7	Very low	106 Å²	106	138.6 Å²	138.6	69%	0.688	78%	0.779	S	S	*	*			cis	-118	-135.7	-3.7	28.3	-4.1	0	0	0	110.7
950	R	32.1	Very low	33.2	Very low	227 Å²	227	136.5 Å²	136.5	86%	0.857	77%	0.774	S	S	*	*			cis	-168	150.7	-6.1	-136.5	173	-166.5	158.2	1.4	104.9
951	R	34.8	Very low	33.4	Very low	232 Å²	232	134.9 Å²	134.9	88%	0.875	78%	0.781	S	S	*	*			cis	-133.6	160.8	-0.4	-29.4	169.6	-174	-171.5	1.9	106
952	R	34	Very low	33.8	Very low	221 Å²	221	133.9 Å²	133.9	83%	0.834	79%	0.791	S	S	*	*			cis	84.3	101.7	10.2	-148.4	-176.7	-156	-133.2	6.3	118.1
953	A	39.1	Very low	34	Very low	97 Å²	97	130 Å²	130	80%	0.802	79%	0.788	S	S	*	*			trans	-133.3	151.4	157.1	0	0	0	0	0	108.8
954	P	38.1	Very low	34.5	Very low	100 Å²	100	132 Å²	132	65%	0.649	79%	0.794	S	S	*	*				-143.4	153.5	-127.5	39.2	-20.2	0	0	0	121.8
955	I	32.2	Very low	34.9	Very low	150 Å²	150	129.5 Å²	129.5	77%	0.769	79%	0.789	S	S	*	*			trans	79.1	124.7	138	-70.9	162	0	0	0	121.2
956	G	36.8	Very low	35.1	Very low	73 Å²	73	131.9 Å²	131.9	75%	0.753	79%	0.788	S	S	*	*			trans	-167.2	128.1	154.4	0	0	0	0	0	109.1
957	P	37.4	Very low	35.3	Very low	111 Å²	111	134.9 Å²	134.9	72%	0.721	79%	0.79	S	S	*	*			trans	-115.1	145.5	-156.9	39.7	-32.7	0	0	0	118.8
958	F	36.5	Very low	35.2	Very low	178 Å²	178	138.3 Å²	138.3	78%	0.781	80%	0.797	S	S	*	*			trans	23.5	141.6	131.1	-80.8	-74	0	0	0	121.4	P960	F958-P960 HydrophobicContact CD1-CG 4.39Å
959	P	42.3	Very low	35.2	Very low	126 Å²	126	135.2 Å²	135.2	82%	0.818	79%	0.787	S	S	*	*				-138.4	168	69.8	39.2	-24.3	0	0	0	117.2
960	P	36.9	Very low	35	Very low	111 Å²	111	139.2 Å²	139.2	72%	0.721	79%	0.794	S	S	*	*			trans	-112.3	161	-174.5	40.6	-31.5	0	0	0	115.6	F958	F958-P960 HydrophobicContact CD1-CG 4.39Å
961	G	32.4	Very low	35	Very low	83 Å²	83	134.2 Å²	134.2	86%	0.856	79%	0.791	S	S	*	*			trans	121.5	110.4	145.9	0	0	0	0	0	118.3
962	A	34.1	Very low	35	Very low	108 Å²	108	133.9 Å²	133.9	89%	0.893	79%	0.789	S	S	*	*			trans	-160.9	154.7	150.9	0	0	0	0	0	109.8
963	A	33.2	Very low	35	Very low	91 Å²	91	129.1 Å²	129.1	75%	0.752	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-92	156.6	-176.1	0	0	0	0	0	113.2
964	P	37.3	Very low	34.5	Very low	121 Å²	121	130.7 Å²	130.7	79%	0.786	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.5	138.7	179.8	32.4	-34.8	0	0	0	113.1
965	P	35.1	Very low	34.1	Very low	128 Å²	128	131.7 Å²	131.7	83%	0.831	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-93.1	154.3	168.8	35.3	-32.2	0	0	0	112.6
966	T	31.8	Very low	34	Very low	127 Å²	127	132.1 Å²	132.1	78%	0.779	78%	0.78	S	S	*	*			trans	-106.3	146.5	-175.1	-51	0	0	0	0	111.6
967	L	32.2	Very low	33.6	Very low	159 Å²	159	136.4 Å²	136.4	83%	0.832	78%	0.78	S	S	*	*			trans	15.7	137.7	159.7	-61	167.5	0	0	0	120.6
968	Q	30.1	Very low	33.3	Very low	195 Å²	195	140.3 Å²	140.3	91%	0.911	79%	0.789	S	S	*	*				-167	166.4	121.7	-102.4	-170.8	30	0	0	112.6
969	P	33.1	Very low	32.8	Very low	95 Å²	95	138 Å²	138	62%	0.617	79%	0.789	S	S	*	*			trans	-128.8	168.6	-156.4	44.6	-32.9	0	0	0	118.4
970	F	35.5	Very low	32.3	Very low	190 Å²	190	137.5 Å²	137.5	83%	0.833	79%	0.789	S	S	*	*			trans	66	146	159.9	-76	-62.1	0	0	0	118.6
971	P	32.3	Very low	31.8	Very low	122 Å²	122	138.5 Å²	138.5	79%	0.792	79%	0.792	S	S	*	*				-140.6	171.7	85.4	38.2	-22.5	0	0	0	116
972	R	34.5	Very low	31.9	Very low	225 Å²	225	140.2 Å²	140.2	85%	0.849	79%	0.791	S	S	*	*			trans	-97.5	153.8	160.8	-68.5	-175.9	176.6	-165.7	-0.2	109.9
973	P	34.8	Very low	31.6	Very low	122 Å²	122	141.6 Å²	141.6	79%	0.792	78%	0.784	S	S	*	*				-132.3	159	107.8	36.5	-27.9	0	0	0	112
974	N	28.5	Very low	31.5	Very low	129 Å²	129	142.4 Å²	142.4	69%	0.69	78%	0.779	S	S	*	*			cis	95.8	103	23.3	-141.7	43	0	0	0	114.9
975	I	28.6	Very low	31.4	Very low	122 Å²	122	144.8 Å²	144.8	63%	0.626	78%	0.779	S	S	*	*			trans	58.6	113	147.4	-56.2	166.9	0	0	0	120
976	Q	31	Very low	31.2	Very low	159 Å²	159	149.4 Å²	149.4	74%	0.743	78%	0.78	S	S	*	*				176.4	120.1	112.7	-121.3	121.5	-2	0	0	110.6
977	Q	27.9	Very low	31.5	Very low	162 Å²	162	148.7 Å²	148.7	76%	0.757	78%	0.778	S	S	*	*				67.8	102.6	98.2	-73	-173.1	-32.4	0	0	118.9
978	Q	30.9	Very low	31.6	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	78%	0.781	S	S	*	*			trans	168.3	122.1	133.5	-93	172.6	14.4	0	0	107.5
979	V	26.3	Very low	31.8	Very low	129 Å²	129	143.9 Å²	143.9	78%	0.782	77%	0.773	S	S	*	*			cis	91.9	87	34.5	-176.6	0	0	0	0	114.1
980	S	31.1	Very low	31.9	Very low	117 Å²	117	144.5 Å²	144.5	82%	0.818	78%	0.78	S	S	*	*			trans	173.9	122.6	151.3	33.9	0	0	0	0	107.3
981	V	28	Very low	31.8	Very low	131 Å²	131	141.3 Å²	141.3	79%	0.794	78%	0.776	S	S	*	*			cis	90.3	74.6	13.6	-162.7	0	0	0	0	116.4
982	S	33	Very low	31.8	Very low	119 Å²	119	141.8 Å²	141.8	83%	0.832	77%	0.77	S	S	*	*			trans	-169.3	123.5	152.4	44.4	0	0	0	0	109.1
983	N	28.9	Very low	31.6	Very low	138 Å²	138	139.2 Å²	139.2	74%	0.738	77%	0.768	S	S	*	*			cis	122.7	136.9	-4.3	-164.1	14.7	0	0	0	112.6
984	T	31.6	Very low	31.6	Very low	107 Å²	107	138.1 Å²	138.1	66%	0.656	76%	0.763	S	S	*	*			trans	73.8	158.2	176.3	82.8	0	0	0	0	117.2
985	H	33.9	Very low	31.6	Very low	171 Å²	171	138.1 Å²	138.1	79%	0.792	77%	0.767	S	S	*	*			cis	-146.6	-175	5.9	-130.1	-44.1	0	0	0	114.6
986	R	30.6	Very low	31.9	Very low	226 Å²	226	138.7 Å²	138.7	85%	0.853	78%	0.776	S	S	*	*			trans	-82.8	171.9	-156.6	-91.6	-178.8	169.4	-174.5	-3.2	118.8
987	P	38.8	Very low	31.9	Very low	112 Å²	112	142.2 Å²	142.2	73%	0.727	78%	0.783	S	S	*	*			trans	-106.7	167.5	175.8	41.6	-35.2	0	0	0	116.5
988	T	35.2	Very low	32.4	Very low	146 Å²	146	139.6 Å²	139.6	90%	0.896	78%	0.78	S	S	*	*			trans	-154.9	-170.6	167	53.6	0	0	0	0	111.5
989	S	32.4	Very low	32.5	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	78%	0.775	S	S	*	*				-162.5	171.4	-91.7	-167	0	0	0	0	112.6
990	S	35.9	Very low	33	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	77%	0.774	S	S	*	*			trans	75.1	155.7	161.3	88.6	0	0	0	0	117.9
991	V	32.9	Very low	33.5	Very low	123 Å²	123	136.5 Å²	136.5	75%	0.745	76%	0.764	S	S	*	*			cis	-163.6	161.2	2.2	90.8	0	0	0	0	113.9
992	I	33.4	Very low	33.9	Very low	131 Å²	131	137.6 Å²	137.6	67%	0.672	77%	0.766	S	S	*	*			trans	65	117.3	161.2	-72.8	168.8	0	0	0	118.1
993	Q	31	Very low	34.1	Very low	172 Å²	172	135.6 Å²	135.6	80%	0.804	76%	0.757	S	S	*	*				76.8	144.2	67.8	-75.4	174.6	-4.8	0	0	114.3
994	S	33.3	Very low	34.5	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	76%	0.755	S	S	*	*			cis	-164.3	154.1	4.8	42.3	0	0	0	0	114
995	V	29.4	Very low	34.7	Very low	129 Å²	129	137.1 Å²	137.1	78%	0.782	76%	0.757	S	S	*	*			trans	39.1	132.7	131.7	-168.8	0	0	0	0	118.9
996	T	34.1	Very low	34.9	Very low	134 Å²	134	139 Å²	139	82%	0.822	76%	0.757	S	S	*	*			cis	-155	-171.4	44.6	-21.8	0	0	0	0	114.4
997	R	32	Very low	35.1	Very low	233 Å²	233	134.2 Å²	134.2	88%	0.879	75%	0.753	S	S	*	*			trans	-113.1	-161.5	179.3	-48.6	171.9	164.4	-175.8	-5.3	111.6
998	P	37.2	Very low	35	Very low	107 Å²	107	133.5 Å²	133.5	70%	0.695	75%	0.751	S	S	*	*			cis	-133	-162.2	-38.2	23.1	2.1	0	0	0	113.8
999	I	34.6	Very low	35	Very low	155 Å²	155	134.2 Å²	134.2	80%	0.795	75%	0.749	S	S	*	*			trans	109	143.5	150	-54.9	-179.8	0	0	0	118.1
1000	T	35.4	Very low	35.2	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	75%	0.752	S	S	*	*			trans	-125.9	-163.3	-171.9	51.7	0	0	0	0	109.5
1001	P	41.1	Very low	35.1	Very low	94 Å²	94	135 Å²	135	61%	0.61	75%	0.748	S	S	*	*			cis	-143.3	-171.7	1.4	45.5	-26	0	0	0	117.4
1002	N	37.5	Very low	35.1	Very low	154 Å²	154	134.6 Å²	134.6	82%	0.824	75%	0.751	S	S	*	*			trans	67.2	155.4	151.7	-67.2	-13.5	0	0	0	120.6
1003	A	37.7	Very low	35.3	Very low	78 Å²	78	134.5 Å²	134.5	65%	0.645	76%	0.761	S	S	*	*			cis	-169.8	176.4	-23.2	0	0	0	0	0	112.3
1004	M	36.3	Very low	35.6	Very low	144 Å²	144	135.4 Å²	135.4	71%	0.709	77%	0.766	S	S	*	*			trans	87.5	115.9	151.7	-73	-166.5	170.2	0	0	124.8
1005	L	36.1	Very low	35.9	Very low	133 Å²	133	136 Å²	136	70%	0.696	77%	0.768	S	S	*	*				87	137.5	123.8	-69.5	172.5	0	0	0	125.4
1006	R	37.1	Very low	37	Very low	210 Å²	210	136 Å²	136	79%	0.792	77%	0.77	S	S	*	*			trans	78.1	112.4	143.6	-82	175.2	-171.4	-132.8	1.7	119.9
1007	T	36.2	Very low	37.1	Very low	126 Å²	126	138.5 Å²	138.5	77%	0.773	77%	0.772	S	S	*	*				70.2	141.3	94.7	57.2	0	0	0	0	115.3
1008	S	36.6	Very low	37.4	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	77%	0.768	S	S	*	*			cis	-173.2	150.3	7.2	40	0	0	0	0	114
1009	L	34.4	Very low	37.4	Very low	161 Å²	161	139.9 Å²	139.9	84%	0.843	78%	0.778	S	S	*	*			trans	60.2	164.8	145.4	-65.8	168.9	0	0	0	122.2
1010	V	36.7	Very low	37.5	Very low	134 Å²	134	137.3 Å²	137.3	81%	0.812	77%	0.774	S	S	*	*			trans	74.9	138.5	165.5	-172.4	0	0	0	0	116.8
1011	S	33.6	Very low	37.7	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	77%	0.771	S	S	*	*			cis	-166.6	162.8	-27.9	-92.5	0	0	0	0	111.3
1012	S	34.1	Very low	37.5	Very low	114 Å²	114	136 Å²	136	80%	0.797	77%	0.772	S	S	*	*			trans	52	121.3	146.9	61.3	0	0	0	0	123.4
1013	S	36.6	Very low	37.4	Very low	128 Å²	128	135.8 Å²	135.8	90%	0.895	77%	0.771	S	S	*	*			trans	-165.7	156.1	132.1	49.3	0	0	0	0	111.7
1014	Q	38.1	Very low	37.3	Very low	191 Å²	191	138.6 Å²	138.6	89%	0.893	78%	0.78	S	S	*	*			trans	-109.2	164.4	-170.7	-85	-179.6	-28.8	0	0	114.3
1015	P	39.5	Very low	37.2	Very low	112 Å²	112	137.7 Å²	137.7	73%	0.727	78%	0.783	S	S	*	*			trans	-99.5	169.4	178.8	39.9	-36	0	0	0	114.8
1016	P	52.2	Low	37.2	Very low	128 Å²	128	135.4 Å²	135.4	83%	0.831	78%	0.783	S	S	*	*			trans	-103.1	163.8	174.6	38.2	-33.2	0	0	0	115.4
1017	H	36	Very low	37	Very low	186 Å²	186	131.1 Å²	131.1	86%	0.861	78%	0.78	S	S	*	*			trans	-119.6	150.1	179.3	-69.3	-106.2	0	0	0	113.9
1018	T	38.8	Very low	37	Very low	131 Å²	131	133.1 Å²	133.1	80%	0.804	79%	0.786	S	S	*	*			trans	-150.4	123.5	151.4	46.7	0	0	0	0	108.3
1019	R	36.2	Very low	37	Very low	238 Å²	238	133.9 Å²	133.9	90%	0.898	79%	0.791	S	S	*	*				56.7	133.3	78.4	-75.2	-172.3	172.3	-172.3	-2.1	113.9
1020	S	37.9	Very low	36.9	Very low	101 Å²	101	134.9 Å²	134.9	71%	0.706	79%	0.791	S	S	*	*			cis	-166.4	175.5	-1.7	50.8	0	0	0	0	113.7
1021	S	37.7	Very low	37.1	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	78%	0.782	S	S	*	*			trans	78.8	147.6	141.5	46.5	0	0	0	0	121.8
1022	S	37	Very low	37	Very low	89 Å²	89	138.1 Å²	138.1	62%	0.622	79%	0.788	S	S	*	*			cis	173.5	146.3	-34.4	46.4	0	0	0	0	110.7
1023	N	35.9	Very low	37.1	Very low	149 Å²	149	139.4 Å²	139.4	80%	0.797	79%	0.791	S	S	*	*			trans	72.4	161.1	169.3	-46.2	-19	0	0	0	115.5
1024	T	36.5	Very low	36.8	Very low	137 Å²	137	136.9 Å²	136.9	84%	0.84	77%	0.773	S	S	*	*			cis	-149	170.6	13.4	-30.2	0	0	0	0	113.4
1025	T	33.9	Very low	36.6	Very low	126 Å²	126	134.3 Å²	134.3	77%	0.773	77%	0.77	S	S	*	*			trans	-84.7	150.1	-167.9	-27.2	0	0	0	0	117.8
1026	A	36.5	Very low	36.4	Very low	84 Å²	84	133.4 Å²	133.4	69%	0.694	77%	0.767	S	S	*	*			trans	168.9	134.7	137.6	0	0	0	0	0	109.5
1027	T	32.7	Very low	35.5	Very low	120 Å²	120	134.6 Å²	134.6	74%	0.736	76%	0.761	S	S	*	*			cis	84.9	139.6	33.7	64.1	0	0	0	0	116.6
1028	L	35.8	Very low	35.4	Very low	169 Å²	169	133 Å²	133	89%	0.885	75%	0.754	S	S	*	*			trans	87.6	139.6	-169.5	-59.1	152.3	0	0	0	114.3
1029	S	36.5	Very low	35.1	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	76%	0.757	S	S	*	*			cis	-161	161.1	-14.5	44.1	0	0	0	0	112.6
1030	Q	32.9	Very low	35	Very low	181 Å²	181	125.4 Å²	125.4	85%	0.846	75%	0.747	S	S	*	*			trans	-87.2	-172.7	177.7	-97.1	-169.7	-0.2	0	0	112.7
1031	P	41.5	Very low	34.9	Very low	97 Å²	97	132.5 Å²	132.5	63%	0.63	78%	0.776	S	S	*	*			cis	-139.4	-158.9	-42.5	39.5	-20.4	0	0	0	112.9
1032	Y	31.3	Very low	34.8	Very low	204 Å²	204	134 Å²	134	80%	0.8	78%	0.779	S	S	*	*			trans	72	126	151.9	-106	-102.2	0	0	0	120.8
1033	V	35.6	Very low	34.7	Very low	141 Å²	141	136.4 Å²	136.4	86%	0.855	79%	0.787	S	S	*	*				-160.8	149.8	115	148.2	0	0	0	0	107.2
1034	S	29.5	Very low	34.6	Very low	75 Å²	75	135.7 Å²	135.7	52%	0.524	79%	0.787	S	S	.	*			trans	-121	-174.1	-178.5	-54.3	0	0	0	0	111.2
1035	T	35.1	Very low	34.5	Very low	136 Å²	136	135.6 Å²	135.6	83%	0.834	78%	0.783	S	S	*	*			trans	71.9	145.9	173.1	69.4	0	0	0	0	115.4
1036	S	35.8	Very low	34.5	Very low	94 Å²	94	136.2 Å²	136.2	66%	0.657	78%	0.784	S	S	*	*			cis	-158.5	-170.7	-8.9	-116.7	0	0	0	0	111.6
1037	Q	32.4	Very low	34.4	Very low	152 Å²	152	139.7 Å²	139.7	71%	0.71	79%	0.79	S	S	*	*			trans	-23	158.7	154.4	-62.2	145.9	-88.7	0	0	116.1
1038	E	33.4	Very low	34.5	Very low	154 Å²	154	141.1 Å²	141.1	72%	0.72	79%	0.794	S	S	*	*			cis	-159.6	165.8	31.6	-149.3	141.1	-122.3	0	0	115.3
1039	V	32.9	Very low	34.4	Very low	141 Å²	141	138.9 Å²	138.9	86%	0.855	79%	0.787	S	S	*	*			trans	-13.6	134	162.1	178	0	0	0	0	118.9
1040	G	35.3	Very low	34.2	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	79%	0.787	S	S	*	*				124.2	95.1	121.7	0	0	0	0	0	119.9
1041	L	35.3	Very low	34.4	Very low	250 Å²	250	137.5 Å²	137.5	100%	1.309	78%	0.781	S	S	*	*			trans	-158.7	0	130.9	-111.3	169.5	0	0	0	110.5

Retrieved 1,041 of 1,041 residues in 975.2 ms (Link to these results)

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